============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 63 rings ring int. center anis. iso. PHE 4 1.000 -19.590 62.425 119.253 -99.200 -91.000 PHE 5 1.000 -15.791 68.451 118.308 -99.200 -91.000 PHE 11 1.000 -13.257 66.148 129.663 -99.200 -91.000 PHE 12 1.000 -7.777 73.231 123.404 -99.200 -91.000 HIS 52 0.900 -4.636 69.271 106.981 -99.200 -91.000 PHE 58 1.000 -14.248 53.191 99.953 -99.200 -91.000 TRP 67 1.040 -20.239 48.906 90.746 -99.200 -91.000 TRP6 67 1.020 -20.141 47.150 89.174 -99.200 -91.000 TYR 73 0.840 -17.376 60.329 107.840 -99.200 -91.000 HIS 77 0.900 -6.801 68.199 117.335 -99.200 -91.000 HIS 79 0.900 -1.032 67.554 109.717 -99.200 -91.000 TYR 90 0.840 -13.508 48.983 108.446 -99.200 -91.000 TYR 108 0.840 -5.527 68.050 122.882 -99.200 -91.000 PHE 117 1.000 3.516 57.936 115.910 -99.200 -91.000 TYR 131 0.840 -20.778 45.628 103.733 -99.200 -91.000 PHE 143 1.000 -10.998 54.622 104.484 -99.200 -91.000 PHE 152 1.000 -6.471 63.311 105.010 -99.200 -91.000 TRP 173 1.040 -6.892 42.082 104.198 -99.200 -91.000 TRP6 173 1.020 -9.082 42.126 105.075 -99.200 -91.000 TYR 178 0.840 1.723 53.497 101.466 -99.200 -91.000 HIS 184 0.900 7.034 48.513 93.885 -99.200 -91.000 TYR 185 0.840 9.144 53.269 92.633 -99.200 -91.000 HIS 190 0.900 5.315 45.888 103.960 -99.200 -91.000 HIS 204 0.900 6.665 39.000 118.399 -99.200 -91.000 PHE 215 1.000 0.200 46.289 137.364 -99.200 -91.000 HIS 216 0.900 2.978 48.623 133.655 -99.200 -91.000 PHE 221 1.000 -1.537 58.820 139.326 -99.200 -91.000 TYR 227 0.840 -1.143 62.494 143.918 -99.200 -91.000 PHE 237 1.000 -6.637 42.564 158.898 -99.200 -91.000 PHE 242 1.000 -9.301 43.894 140.308 -99.200 -91.000 PHE 247 1.000 -13.611 38.857 131.784 -99.200 -91.000 HIS 253 0.900 -5.165 41.088 128.057 -99.200 -91.000 TYR 257 0.840 -0.978 41.784 132.469 -99.200 -91.000 HIS 259 0.900 -5.599 37.316 141.437 -99.200 -91.000 PHE 261 1.000 3.306 42.941 140.784 -99.200 -91.000 TRP 276 1.040 -20.943 40.273 146.046 -99.200 -91.000 TRP6 276 1.020 -20.507 42.526 146.618 -99.200 -91.000 PHE 289 1.000 -18.758 30.799 133.341 -99.200 -91.000 HIS 293 0.900 -19.485 27.420 129.387 -99.200 -91.000 PHE 299 1.000 -16.581 32.437 137.823 -99.200 -91.000 TYR 305 0.840 -23.788 43.802 142.811 -99.200 -91.000 PHE 355 1.000 -17.052 59.932 140.444 -99.200 -91.000 TYR 367 0.840 -1.102 57.754 133.057 -99.200 -91.000 TYR 377 0.840 7.308 56.411 119.490 -99.200 -91.000 PHE 378 1.000 7.472 51.319 122.805 -99.200 -91.000 TRP 380 1.040 5.815 54.918 112.278 -99.200 -91.000 TRP6 380 1.020 7.182 56.733 112.849 -99.200 -91.000 HIS 386 0.900 13.387 48.679 107.311 -99.200 -91.000 TYR 389 0.840 12.239 47.926 119.249 -99.200 -91.000 PHE 394 1.000 16.224 39.837 123.495 -99.200 -91.000 TYR 396 0.840 27.937 42.749 123.897 -99.200 -91.000 TYR 402 0.840 25.048 33.090 132.398 -99.200 -91.000 HIS 403 0.900 32.539 37.169 130.320 -99.200 -91.000 PHE 416 1.000 38.664 29.222 152.675 -99.200 -91.000 HIS 419 0.900 39.863 24.711 142.869 -99.200 -91.000 PHE 431 1.000 19.732 38.084 135.773 -99.200 -91.000 HIS 445 0.900 4.478 42.864 127.675 -99.200 -91.000 TYR 450 0.840 11.867 55.398 130.851 -99.200 -91.000 TYR 466 0.840 -0.467 75.046 135.430 -99.200 -91.000 TYR 477 0.840 -8.142 66.246 128.351 -99.200 -91.000 PHE 485 1.000 2.247 78.022 123.749 -99.200 -91.000 TYR 488 0.840 0.708 74.083 116.484 -99.200 -91.000 PHE 495 1.000 6.521 85.282 108.234 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1nr7L1 ASP 6 HA -0.01 -0.13 0.24 -0.75 4.63 3.98 1nr7L1 ASP 6 HB2 0.00 0.11 -0.04 -0.04 2.71 2.73 1nr7L1 ASP 6 HB3 0.01 -0.08 0.05 -0.04 2.70 2.64 1nr7L1 PRO 7 HA -0.06 0.06 0.34 -0.51 4.44 4.27 1nr7L1 PRO 7 HB2 -0.05 0.07 -0.00 -0.04 2.28 2.25 1nr7L1 PRO 7 HB3 -0.06 -0.05 0.06 -0.04 2.02 1.92 1nr7L1 PRO 7 HG2 -0.05 -0.03 0.06 -0.04 2.03 1.97 1nr7L1 PRO 7 HG3 -0.04 0.08 0.05 -0.04 2.03 2.07 1nr7L1 PRO 7 HD2 -0.01 0.05 0.14 -0.04 3.68 3.82 1nr7L1 PRO 7 HD3 -0.02 0.12 0.17 -0.04 3.65 3.88 1nr7L1 ASN 8 H -0.15 -0.05 0.01 -0.55 8.53 7.80 1nr7L1 ASN 8 HA -0.32 0.35 0.80 -0.75 4.76 4.84 1nr7L1 ASN 8 HB2 -1.81 -0.37 0.27 -0.04 2.88 0.93 1nr7L1 ASN 8 HB3 -0.56 0.19 0.10 -0.04 2.79 2.48 1nr7L1 ASN 8 HD21 -0.04 0.07 0.03 -0.04 7.03 7.04 1nr7L1 ASN 8 HD22 -0.17 0.13 0.02 -0.04 7.74 7.68 1nr7L1 PHE 9 H -1.52 -0.00 0.17 -0.55 8.34 6.44 1nr7L1 PHE 9 HA 0.10 0.23 0.67 -0.75 4.62 4.87 1nr7L1 PHE 9 HB2 0.14 0.06 0.02 -0.04 3.15 3.32 1nr7L1 PHE 9 HB3 0.10 0.11 0.04 -0.04 3.06 3.27 1nr7L1 PHE 9 HD2 0.18 0.12 0.12 -0.04 7.28 7.66 1nr7L1 PHE 9 HE2 0.08 0.09 -0.01 -0.04 7.38 7.50 1nr7L1 PHE 9 HZ 0.04 0.05 0.02 -0.04 7.32 7.38 1nr7L1 PHE 10 H 1.17 0.04 0.16 -0.55 8.34 9.16 1nr7L1 PHE 10 HA 0.28 0.14 0.36 -0.75 4.62 4.65 1nr7L1 PHE 10 HB2 0.59 -0.01 0.08 -0.04 3.15 3.77 1nr7L1 PHE 10 HB3 0.21 -0.00 0.06 -0.04 3.06 3.29 1nr7L1 PHE 10 HD2 0.11 -0.04 -0.06 -0.04 7.28 7.25 1nr7L1 PHE 10 HE2 0.07 0.12 -0.15 -0.04 7.38 7.38 1nr7L1 PHE 10 HZ 0.05 0.12 -0.03 -0.04 7.32 7.42 1nr7L1 LYS 11 H 0.07 0.01 -0.15 -0.55 8.42 7.79 1nr7L1 LYS 11 HA -0.04 0.18 0.42 -0.75 4.32 4.12 1nr7L1 LYS 11 HB2 -0.04 -0.20 0.05 -0.04 1.87 1.64 1nr7L1 LYS 11 HB3 -0.05 0.10 0.02 -0.04 1.79 1.82 1nr7L1 LYS 11 HG2 0.10 -0.05 -0.00 -0.04 1.46 1.47 1nr7L1 LYS 11 HG3 0.01 0.06 0.02 -0.04 1.46 1.50 1nr7L1 LYS 11 HD2 -0.01 0.03 0.04 -0.04 1.69 1.71 1nr7L1 LYS 11 HD3 0.02 0.01 0.03 -0.04 1.68 1.70 1nr7L1 LYS 11 HE2 0.10 -0.01 -0.02 -0.04 2.99 3.02 1nr7L1 LYS 11 HE3 0.03 0.01 -0.01 -0.04 2.99 2.99 1nr7L1 MET 12 H 0.00 0.20 -0.72 -0.55 8.47 7.40 1nr7L1 MET 12 HA -0.24 0.12 0.62 -0.75 4.52 4.27 1nr7L1 MET 12 HB2 0.06 0.08 0.03 -0.04 2.15 2.28 1nr7L1 MET 12 HB3 0.24 0.01 0.09 -0.04 2.03 2.32 1nr7L1 MET 12 HG2 -0.12 -0.03 0.08 -0.04 2.63 2.52 1nr7L1 MET 12 HG3 -0.06 -0.03 0.02 -0.04 2.56 2.45 1nr7L1 MET 12 HE3 0.04 0.01 -0.04 -0.04 2.10 2.07 1nr7L1 VAL 13 H 0.11 0.50 0.13 -0.55 8.24 8.43 1nr7L1 VAL 13 HA 0.43 -0.01 0.32 -0.75 4.13 4.12 1nr7L1 VAL 13 HB -0.03 0.06 0.11 -0.04 2.12 2.21 1nr7L1 VAL 13 HG13 0.20 0.03 -0.10 -0.04 0.97 1.06 1nr7L1 VAL 13 HG23 0.20 0.06 0.03 -0.04 0.95 1.19 1nr7L1 GLU 14 H -0.23 0.48 -0.19 -0.55 8.60 8.11 1nr7L1 GLU 14 HA -0.10 0.10 0.35 -0.75 4.29 3.88 1nr7L1 GLU 14 HB2 -0.55 0.06 0.09 -0.04 2.09 1.65 1nr7L1 GLU 14 HB3 -0.20 -0.04 0.04 -0.04 1.99 1.76 1nr7L1 GLU 14 HG2 -0.04 -0.01 -0.18 -0.04 2.34 2.06 1nr7L1 GLU 14 HG3 -0.06 0.03 0.01 -0.04 2.34 2.28 1nr7L1 GLY 15 H -0.18 0.24 -0.41 -0.55 8.43 7.53 1nr7L1 GLY 15 HA2 -0.12 0.01 0.37 -0.51 4.01 3.76 1nr7L1 GLY 15 HA3 -0.28 0.06 0.34 -0.51 4.01 3.63 1nr7L1 PHE 16 H -0.35 0.55 -0.10 -0.55 8.34 7.89 1nr7L1 PHE 16 HA -0.33 -0.05 0.37 -0.75 4.62 3.85 1nr7L1 PHE 16 HB2 -0.52 0.20 0.17 -0.04 3.15 2.96 1nr7L1 PHE 16 HB3 -1.59 -0.06 0.01 -0.04 3.06 1.37 1nr7L1 PHE 16 HD2 -0.20 -0.04 -0.16 -0.04 7.28 6.84 1nr7L1 PHE 16 HE2 -0.02 -0.04 -0.04 -0.04 7.38 7.23 1nr7L1 PHE 16 HZ 0.00 0.05 0.01 -0.04 7.32 7.34 1nr7L1 PHE 17 H 0.05 0.57 -0.23 -0.55 8.34 8.19 1nr7L1 PHE 17 HA -0.19 -0.02 0.36 -0.75 4.62 4.03 1nr7L1 PHE 17 HB2 -0.07 -0.00 0.09 -0.04 3.15 3.13 1nr7L1 PHE 17 HB3 -0.06 0.14 0.24 -0.04 3.06 3.34 1nr7L1 PHE 17 HD2 -0.18 -0.03 -0.05 -0.04 7.28 6.99 1nr7L1 PHE 17 HE2 0.13 0.01 -0.06 -0.04 7.38 7.42 1nr7L1 PHE 17 HZ 0.10 0.18 0.08 -0.04 7.32 7.65 1nr7L1 ASP 18 H 0.16 0.58 0.09 -0.55 8.40 8.67 1nr7L1 ASP 18 HA -0.10 -0.01 0.35 -0.75 4.63 4.12 1nr7L1 ASP 18 HB2 -0.04 0.08 0.16 -0.04 2.71 2.87 1nr7L1 ASP 18 HB3 -0.03 -0.04 0.00 -0.04 2.70 2.59 1nr7L1 ARG 19 H -0.13 0.71 -0.25 -0.55 8.46 8.24 1nr7L1 ARG 19 HA -0.11 -0.03 0.35 -0.75 4.34 3.80 1nr7L1 ARG 19 HB2 -0.12 0.18 0.22 -0.04 1.90 2.14 1nr7L1 ARG 19 HB3 -0.09 -0.04 0.04 -0.04 1.80 1.67 1nr7L1 ARG 19 HG2 -0.09 -0.02 0.04 -0.04 1.67 1.55 1nr7L1 ARG 19 HG3 -0.13 -0.03 -0.04 -0.04 1.67 1.43 1nr7L1 ARG 19 HD2 -0.06 -0.04 -0.01 -0.04 3.22 3.08 1nr7L1 ARG 19 HD3 -0.03 -0.07 0.01 -0.04 3.22 3.10 1nr7L1 GLY 20 H -0.17 0.53 0.09 -0.55 8.43 8.33 1nr7L1 GLY 20 HA2 -0.17 0.02 0.40 -0.51 4.01 3.75 1nr7L1 GLY 20 HA3 -0.17 0.00 0.24 -0.51 4.01 3.57 1nr7L1 ALA 21 H -0.45 0.91 -0.15 -0.55 8.40 8.17 1nr7L1 ALA 21 HA -0.36 -0.02 0.39 -0.75 4.34 3.60 1nr7L1 ALA 21 HB3 -0.61 0.02 0.04 -0.04 1.41 0.81 1nr7L1 SER 22 H -0.19 0.72 -0.02 -0.55 8.46 8.42 1nr7L1 SER 22 HA -0.11 -0.02 0.53 -0.75 4.49 4.14 1nr7L1 SER 22 HB2 -0.07 -0.08 0.09 -0.04 3.95 3.84 1nr7L1 SER 22 HB3 -0.09 -0.01 0.13 -0.04 3.93 3.92 1nr7L1 ILE 23 H -0.19 0.42 -0.23 -0.55 8.25 7.70 1nr7L1 ILE 23 HA -0.14 0.03 0.51 -0.75 4.18 3.82 1nr7L1 ILE 23 HB -0.31 0.09 0.09 -0.04 1.89 1.73 1nr7L1 ILE 23 HG12 -0.11 -0.07 0.00 -0.04 1.49 1.27 1nr7L1 ILE 23 HG13 -0.15 0.41 0.13 -0.04 1.21 1.57 1nr7L1 ILE 23 HG23 -0.31 -0.02 0.08 -0.04 0.93 0.64 1nr7L1 ILE 23 HD13 -0.11 -0.05 -0.11 -0.04 0.88 0.57 1nr7L1 VAL 24 H -0.23 0.29 -0.38 -0.55 8.24 7.38 1nr7L1 VAL 24 HA -0.25 0.12 0.67 -0.75 4.13 3.91 1nr7L1 VAL 24 HB -0.21 0.06 0.17 -0.04 2.12 2.10 1nr7L1 VAL 24 HG13 -0.14 -0.02 -0.16 -0.04 0.97 0.61 1nr7L1 VAL 24 HG23 -0.23 0.11 -0.02 -0.04 0.95 0.77 1nr7L1 GLU 25 H -0.16 0.59 0.13 -0.55 8.60 8.61 1nr7L1 GLU 25 HA -0.15 0.01 0.29 -0.75 4.29 3.69 1nr7L1 GLU 25 HB2 -0.10 0.08 0.16 -0.04 2.09 2.20 1nr7L1 GLU 25 HB3 -0.08 0.08 0.15 -0.04 1.99 2.09 1nr7L1 GLU 25 HG2 -0.04 -0.01 -0.31 -0.04 2.34 1.93 1nr7L1 GLU 25 HG3 -0.05 -0.03 -0.03 -0.04 2.34 2.19 1nr7L1 ASP 26 H -0.04 0.23 -0.24 -0.55 8.40 7.80 1nr7L1 ASP 26 HA -0.01 -0.01 0.43 -0.75 4.63 4.28 1nr7L1 ASP 26 HB2 0.02 0.05 0.11 -0.04 2.71 2.84 1nr7L1 ASP 26 HB3 0.01 -0.03 0.03 -0.04 2.70 2.67 1nr7L1 LYS 27 H 0.08 0.25 -0.00 -0.55 8.42 8.19 1nr7L1 LYS 27 HA 0.03 -0.09 0.39 -0.75 4.32 3.90 1nr7L1 LYS 27 HB2 0.37 0.15 0.16 -0.04 1.87 2.51 1nr7L1 LYS 27 HB3 0.10 0.02 -0.06 -0.04 1.79 1.81 1nr7L1 LYS 27 HG2 0.09 -0.06 0.07 -0.04 1.46 1.52 1nr7L1 LYS 27 HG3 -0.02 0.09 0.04 -0.04 1.46 1.53 1nr7L1 LYS 27 HD2 -0.08 0.04 0.01 -0.04 1.69 1.61 1nr7L1 LYS 27 HD3 -0.01 -0.15 0.08 -0.04 1.68 1.56 1nr7L1 LYS 27 HE2 -0.14 0.12 0.02 -0.04 2.99 2.96 1nr7L1 LYS 27 HE3 -0.06 -0.04 0.03 -0.04 2.99 2.88 1nr7L1 LEU 28 H -0.01 0.73 -0.50 -0.55 8.37 8.04 1nr7L1 LEU 28 HA -0.03 0.03 0.20 -0.75 4.35 3.80 1nr7L1 LEU 28 HB2 -0.16 -0.03 -0.35 -0.04 1.64 1.07 1nr7L1 LEU 28 HB3 -0.21 0.10 -0.21 -0.04 1.64 1.28 1nr7L1 LEU 28 HG -0.51 0.02 -0.03 -0.04 1.64 1.08 1nr7L1 LEU 28 HD13 -0.15 0.00 -0.05 -0.04 0.93 0.69 1nr7L1 LEU 28 HD23 -1.11 -0.03 -0.12 -0.04 0.89 -0.41 1nr7L1 VAL 29 H -0.01 0.44 -0.65 -0.55 8.24 7.47 1nr7L1 VAL 29 HA 0.02 0.16 0.80 -0.75 4.13 4.35 1nr7L1 VAL 29 HB 0.00 0.01 0.21 -0.04 2.12 2.30 1nr7L1 VAL 29 HG13 0.02 -0.05 -0.15 -0.04 0.97 0.74 1nr7L1 VAL 29 HG23 -0.01 0.12 -0.10 -0.04 0.95 0.92 1nr7L1 GLU 30 H 0.01 0.38 0.15 -0.55 8.60 8.58 1nr7L1 GLU 30 HA 0.01 -0.03 0.36 -0.75 4.29 3.88 1nr7L1 GLU 30 HB2 0.01 0.11 0.22 -0.04 2.09 2.38 1nr7L1 GLU 30 HB3 0.00 -0.04 0.24 -0.04 1.99 2.15 1nr7L1 GLU 30 HG2 0.01 0.06 0.10 -0.04 2.34 2.47 1nr7L1 GLU 30 HG3 0.00 0.01 0.05 -0.04 2.34 2.37 1nr7L1 ASP 31 H 0.00 0.12 0.13 -0.55 8.40 8.11 1nr7L1 ASP 31 HA 0.01 0.14 0.44 -0.75 4.63 4.45 1nr7L1 ASP 31 HB2 -0.01 -0.04 0.15 -0.04 2.71 2.77 1nr7L1 ASP 31 HB3 -0.01 -0.01 0.16 -0.04 2.70 2.79 1nr7L1 LEU 32 H 0.02 0.19 -0.93 -0.55 8.37 7.11 1nr7L1 LEU 32 HA 0.03 0.17 0.87 -0.75 4.35 4.67 1nr7L1 LEU 32 HB2 0.03 0.09 -0.23 -0.04 1.64 1.48 1nr7L1 LEU 32 HB3 0.05 -0.02 0.06 -0.04 1.64 1.69 1nr7L1 LEU 32 HG 0.00 -0.11 -0.37 -0.04 1.64 1.12 1nr7L1 LEU 32 HD13 0.03 0.02 -0.33 -0.04 0.93 0.61 1nr7L1 LEU 32 HD23 0.02 0.01 -0.05 -0.04 0.89 0.83 1nr7L1 ARG 33 H 0.03 0.27 0.13 -0.55 8.46 8.33 1nr7L1 ARG 33 HA 0.05 0.01 0.25 -0.75 4.34 3.90 1nr7L1 ARG 33 HB2 0.07 0.00 0.05 -0.04 1.90 1.98 1nr7L1 ARG 33 HB3 0.09 0.25 0.12 -0.04 1.80 2.22 1nr7L1 ARG 33 HG2 0.07 0.35 -0.05 -0.04 1.67 2.00 1nr7L1 ARG 33 HG3 0.04 0.59 0.11 -0.04 1.67 2.37 1nr7L1 ARG 33 HD2 0.05 -0.16 -0.00 -0.04 3.22 3.07 1nr7L1 ARG 33 HD3 0.06 -0.17 -0.16 -0.04 3.22 2.91 1nr7L1 THR 34 H 0.03 0.93 0.52 -0.55 8.28 9.21 1nr7L1 THR 34 HA 0.02 -0.19 0.55 -0.75 4.39 4.02 1nr7L1 THR 34 HB 0.01 0.24 0.18 -0.04 4.32 4.71 1nr7L1 THR 34 HG23 0.01 -0.04 -0.12 -0.04 1.22 1.03 1nr7L1 ARG 35 H 0.02 -0.46 0.32 -0.55 8.46 7.79 1nr7L1 ARG 35 HA 0.01 -0.04 0.22 -0.75 4.34 3.79 1nr7L1 ARG 35 HB2 0.01 -0.03 0.21 -0.04 1.90 2.05 1nr7L1 ARG 35 HB3 0.01 -0.04 0.17 -0.04 1.80 1.90 1nr7L1 ARG 35 HG2 0.02 0.38 0.17 -0.04 1.67 2.19 1nr7L1 ARG 35 HG3 0.02 -0.03 -0.53 -0.04 1.67 1.09 1nr7L1 ARG 35 HD2 0.02 -0.02 -0.09 -0.04 3.22 3.09 1nr7L1 ARG 35 HD3 0.01 -0.09 0.01 -0.04 3.22 3.12 1nr7L1 GLU 36 H 0.02 -0.43 0.33 -0.55 8.60 7.97 1nr7L1 GLU 36 HA 0.02 0.05 0.38 -0.75 4.29 3.98 1nr7L1 GLU 36 HB2 0.02 -0.03 0.19 -0.04 2.09 2.22 1nr7L1 GLU 36 HB3 0.02 0.22 0.16 -0.04 1.99 2.35 1nr7L1 GLU 36 HG2 0.03 0.04 -0.16 -0.04 2.34 2.21 1nr7L1 GLU 36 HG3 0.03 0.12 -0.34 -0.04 2.34 2.11 1nr7L1 SER 37 H 0.02 -0.05 0.26 -0.55 8.46 8.14 1nr7L1 SER 37 HA 0.03 0.19 0.58 -0.75 4.49 4.53 1nr7L1 SER 37 HB2 0.02 0.04 0.25 -0.04 3.95 4.21 1nr7L1 SER 37 HB3 0.02 -0.05 0.06 -0.04 3.93 3.91 1nr7L1 GLU 38 H 0.02 0.30 0.21 -0.55 8.60 8.59 1nr7L1 GLU 38 HA 0.01 0.16 1.19 -0.75 4.29 4.90 1nr7L1 GLU 38 HB2 0.02 0.09 0.17 -0.04 2.09 2.33 1nr7L1 GLU 38 HB3 0.02 0.02 0.06 -0.04 1.99 2.04 1nr7L1 GLU 38 HG2 0.01 -0.01 -0.04 -0.04 2.34 2.26 1nr7L1 GLU 38 HG3 0.02 -0.03 -0.45 -0.04 2.34 1.83 1nr7L1 GLU 39 H 0.01 0.35 0.15 -0.55 8.60 8.56 1nr7L1 GLU 39 HA 0.01 0.09 0.34 -0.75 4.29 3.98 1nr7L1 GLU 39 HB2 0.01 -0.07 0.35 -0.04 2.09 2.34 1nr7L1 GLU 39 HB3 0.01 0.03 0.15 -0.04 1.99 2.14 1nr7L1 GLU 39 HG2 0.01 -0.13 -0.53 -0.04 2.34 1.65 1nr7L1 GLU 39 HG3 0.01 0.12 -0.06 -0.04 2.34 2.37 1nr7L1 GLN 40 H 0.02 0.10 -0.62 -0.55 8.47 7.42 1nr7L1 GLN 40 HA 0.02 0.02 0.23 -0.75 4.36 3.87 1nr7L1 GLN 40 HB2 0.01 0.14 -0.45 -0.04 2.15 1.81 1nr7L1 GLN 40 HB3 0.01 0.03 0.20 -0.04 2.02 2.23 1nr7L1 GLN 40 HG2 0.01 -0.02 -0.02 -0.04 2.40 2.33 1nr7L1 GLN 40 HG3 0.01 0.05 -0.00 -0.04 2.39 2.40 1nr7L1 GLN 40 HE21 0.01 0.01 0.04 -0.04 6.97 6.98 1nr7L1 GLN 40 HE22 0.01 0.03 0.04 -0.04 7.69 7.73 1nr7L1 LYS 41 H 0.01 0.17 -0.60 -0.55 8.42 7.45 1nr7L1 LYS 41 HA 0.01 0.15 0.56 -0.75 4.32 4.29 1nr7L1 LYS 41 HB2 0.01 0.11 0.06 -0.04 1.87 2.01 1nr7L1 LYS 41 HB3 0.01 0.00 0.16 -0.04 1.79 1.92 1nr7L1 LYS 41 HG2 0.01 0.01 -0.05 -0.04 1.46 1.39 1nr7L1 LYS 41 HG3 0.01 0.10 -0.13 -0.04 1.46 1.40 1nr7L1 LYS 41 HD2 0.00 0.01 0.02 -0.04 1.69 1.69 1nr7L1 LYS 41 HD3 0.00 -0.01 0.02 -0.04 1.68 1.66 1nr7L1 LYS 41 HE2 0.00 -0.01 -0.00 -0.04 2.99 2.94 1nr7L1 LYS 41 HE3 0.00 0.03 0.01 -0.04 2.99 2.99 1nr7L1 ARG 42 H 0.02 0.07 -0.85 -0.55 8.46 7.15 1nr7L1 ARG 42 HA 0.04 0.19 0.48 -0.75 4.34 4.30 1nr7L1 ARG 42 HB2 0.03 0.03 -0.09 -0.04 1.90 1.83 1nr7L1 ARG 42 HB3 0.06 0.15 0.02 -0.04 1.80 1.99 1nr7L1 ARG 42 HG2 0.03 -0.24 -0.10 -0.04 1.67 1.32 1nr7L1 ARG 42 HG3 0.03 0.05 -0.02 -0.04 1.67 1.70 1nr7L1 ARG 42 HD2 0.05 0.15 0.03 -0.04 3.22 3.41 1nr7L1 ARG 42 HD3 0.04 0.04 -0.06 -0.04 3.22 3.20 1nr7L1 ASN 43 H 0.02 0.25 -0.24 -0.55 8.53 8.01 1nr7L1 ASN 43 HA 0.02 0.16 0.39 -0.75 4.76 4.57 1nr7L1 ASN 43 HB2 0.01 0.06 0.10 -0.04 2.88 3.01 1nr7L1 ASN 43 HB3 0.01 0.03 -0.02 -0.04 2.79 2.77 1nr7L1 ASN 43 HD21 -0.00 0.01 0.02 -0.04 7.03 7.01 1nr7L1 ASN 43 HD22 0.01 -0.01 -0.04 -0.04 7.74 7.65 1nr7L1 ARG 44 H 0.03 0.25 -0.91 -0.55 8.46 7.27 1nr7L1 ARG 44 HA 0.02 0.12 0.58 -0.75 4.34 4.30 1nr7L1 ARG 44 HB2 0.02 0.15 0.07 -0.04 1.90 2.10 1nr7L1 ARG 44 HB3 0.02 0.03 0.03 -0.04 1.80 1.83 1nr7L1 ARG 44 HG2 0.01 -0.01 0.07 -0.04 1.67 1.69 1nr7L1 ARG 44 HG3 0.01 -0.02 -0.03 -0.04 1.67 1.59 1nr7L1 ARG 44 HD2 0.01 -0.02 0.03 -0.04 3.22 3.19 1nr7L1 ARG 44 HD3 0.00 0.03 0.03 -0.04 3.22 3.25 1nr7L1 VAL 45 H 0.06 0.52 -0.56 -0.55 8.24 7.71 1nr7L1 VAL 45 HA 0.07 0.12 0.65 -0.75 4.13 4.21 1nr7L1 VAL 45 HB 0.09 0.02 0.20 -0.04 2.12 2.38 1nr7L1 VAL 45 HG13 0.25 0.00 -0.11 -0.04 0.97 1.07 1nr7L1 VAL 45 HG23 0.08 -0.00 0.08 -0.04 0.95 1.07 1nr7L1 ARG 46 H 0.06 0.23 -0.54 -0.55 8.46 7.66 1nr7L1 ARG 46 HA 0.09 0.10 0.40 -0.75 4.34 4.18 1nr7L1 ARG 46 HB2 0.01 -0.04 0.06 -0.04 1.90 1.89 1nr7L1 ARG 46 HB3 0.01 0.09 0.07 -0.04 1.80 1.92 1nr7L1 ARG 46 HG2 0.03 -0.05 -0.05 -0.04 1.67 1.56 1nr7L1 ARG 46 HG3 0.03 -0.06 -0.32 -0.04 1.67 1.28 1nr7L1 ARG 46 HD2 0.00 0.08 0.08 -0.04 3.22 3.34 1nr7L1 ARG 46 HD3 0.01 -0.05 0.02 -0.04 3.22 3.17 1nr7L1 GLY 47 H 0.06 0.23 -0.78 -0.55 8.43 7.40 1nr7L1 GLY 47 HA2 0.03 0.02 0.31 -0.51 4.01 3.87 1nr7L1 GLY 47 HA3 0.03 0.13 0.19 -0.51 4.01 3.85 1nr7L1 ILE 48 H 0.10 0.49 -0.42 -0.55 8.25 7.86 1nr7L1 ILE 48 HA -0.12 0.06 0.33 -0.75 4.18 3.70 1nr7L1 ILE 48 HB 0.37 -0.00 0.05 -0.04 1.89 2.27 1nr7L1 ILE 48 HG12 0.12 0.43 0.18 -0.04 1.49 2.19 1nr7L1 ILE 48 HG13 -0.11 0.02 0.04 -0.04 1.21 1.12 1nr7L1 ILE 48 HG23 -0.19 0.01 -0.02 -0.04 0.93 0.69 1nr7L1 ILE 48 HD13 -0.03 -0.02 -0.05 -0.04 0.88 0.74 1nr7L1 LEU 49 H 0.17 0.34 -0.28 -0.55 8.37 8.06 1nr7L1 LEU 49 HA 0.27 0.03 0.40 -0.75 4.35 4.30 1nr7L1 LEU 49 HB2 0.10 0.16 0.19 -0.04 1.64 2.06 1nr7L1 LEU 49 HB3 0.13 -0.03 -0.06 -0.04 1.64 1.64 1nr7L1 LEU 49 HG 0.03 -0.05 0.05 -0.04 1.64 1.62 1nr7L1 LEU 49 HD13 0.08 0.01 -0.02 -0.04 0.93 0.95 1nr7L1 LEU 49 HD23 -0.11 -0.00 0.04 -0.04 0.89 0.78 1nr7L1 ARG 50 H 0.08 0.31 -0.33 -0.55 8.46 7.96 1nr7L1 ARG 50 HA 0.11 -0.01 0.46 -0.75 4.34 4.14 1nr7L1 ARG 50 HB2 0.06 -0.07 0.06 -0.04 1.90 1.90 1nr7L1 ARG 50 HB3 0.03 0.20 0.12 -0.04 1.80 2.10 1nr7L1 ARG 50 HG2 0.02 0.04 -0.04 -0.04 1.67 1.65 1nr7L1 ARG 50 HG3 0.04 -0.06 0.06 -0.04 1.67 1.67 1nr7L1 ARG 50 HD2 0.02 0.01 -0.02 -0.04 3.22 3.19 1nr7L1 ARG 50 HD3 0.02 -0.03 -0.02 -0.04 3.22 3.15 1nr7L1 ILE 51 H -0.04 0.34 -0.35 -0.55 8.25 7.66 1nr7L1 ILE 51 HA -0.07 0.08 0.62 -0.75 4.18 4.06 1nr7L1 ILE 51 HB -0.34 0.13 0.13 -0.04 1.89 1.77 1nr7L1 ILE 51 HG12 -0.06 -0.05 -0.06 -0.04 1.49 1.28 1nr7L1 ILE 51 HG13 -0.07 0.24 -0.03 -0.04 1.21 1.31 1nr7L1 ILE 51 HG23 -0.13 -0.01 -0.02 -0.04 0.93 0.73 1nr7L1 ILE 51 HD13 -0.10 -0.03 -0.08 -0.04 0.88 0.64 1nr7L1 ILE 52 H -0.03 0.31 -0.06 -0.55 8.25 7.92 1nr7L1 ILE 52 HA 0.04 0.01 0.38 -0.75 4.18 3.86 1nr7L1 ILE 52 HB 0.34 0.06 0.16 -0.04 1.89 2.41 1nr7L1 ILE 52 HG12 0.28 -0.05 -0.03 -0.04 1.49 1.65 1nr7L1 ILE 52 HG13 -0.14 0.27 0.07 -0.04 1.21 1.37 1nr7L1 ILE 52 HG23 0.50 -0.03 -0.17 -0.04 0.93 1.18 1nr7L1 ILE 52 HD13 0.37 -0.03 -0.16 -0.04 0.88 1.01 1nr7L1 LYS 53 H -0.05 0.33 -0.17 -0.55 8.42 7.97 1nr7L1 LYS 53 HA -0.66 -0.09 0.26 -0.75 4.32 3.07 1nr7L1 LYS 53 HB2 -0.44 0.03 0.09 -0.04 1.87 1.50 1nr7L1 LYS 53 HB3 -0.12 0.14 0.03 -0.04 1.79 1.80 1nr7L1 LYS 53 HG2 -0.15 -0.02 -0.25 -0.04 1.46 1.00 1nr7L1 LYS 53 HG3 -0.62 -0.10 0.01 -0.04 1.46 0.71 1nr7L1 LYS 53 HD2 0.18 -0.01 -0.02 -0.04 1.69 1.80 1nr7L1 LYS 53 HD3 0.03 0.06 -0.04 -0.04 1.68 1.69 1nr7L1 LYS 53 HE2 0.01 -0.04 -0.05 -0.04 2.99 2.88 1nr7L1 LYS 53 HE3 0.06 -0.04 -0.00 -0.04 2.99 2.97 1nr7L1 PRO 54 HA 0.04 -0.04 0.73 -0.51 4.44 4.65 1nr7L1 PRO 54 HB2 -0.02 0.07 -0.05 -0.04 2.28 2.24 1nr7L1 PRO 54 HB3 0.01 -0.11 0.01 -0.04 2.02 1.88 1nr7L1 PRO 54 HG2 -0.08 0.13 -0.01 -0.04 2.03 2.04 1nr7L1 PRO 54 HG3 -0.03 -0.01 0.04 -0.04 2.03 1.99 1nr7L1 PRO 54 HD2 -0.09 0.12 -0.69 -0.04 3.68 2.98 1nr7L1 PRO 54 HD3 -0.05 0.03 -0.02 -0.04 3.65 3.56 1nr7L1 CYS 55 H 0.03 -0.05 0.13 -0.55 8.50 8.06 1nr7L1 CYS 55 HA -0.30 0.09 0.54 -0.75 4.58 4.16 1nr7L1 CYS 55 HB2 0.04 -0.09 -0.02 -0.04 2.97 2.85 1nr7L1 CYS 55 HB3 0.05 0.13 -0.23 -0.04 2.97 2.89 1nr7L1 ASN 56 H -0.15 0.79 0.50 -0.55 8.53 9.13 1nr7L1 ASN 56 HA -0.17 0.00 0.47 -0.75 4.76 4.30 1nr7L1 ASN 56 HB2 -0.00 0.11 0.22 -0.04 2.88 3.17 1nr7L1 ASN 56 HB3 -0.77 -0.09 0.03 -0.04 2.79 1.92 1nr7L1 ASN 56 HD21 0.01 -0.04 0.05 -0.04 7.03 7.01 1nr7L1 ASN 56 HD22 -0.14 -0.05 0.08 -0.04 7.74 7.60 1nr7L1 HIS 57 H 0.12 0.39 0.16 -0.55 8.41 8.52 1nr7L1 HIS 57 HA 0.11 0.27 1.17 -0.75 4.63 5.43 1nr7L1 HIS 57 HB2 0.37 -0.03 -0.07 -0.04 3.26 3.49 1nr7L1 HIS 57 HB3 0.23 -0.02 0.04 -0.04 3.20 3.41 1nr7L1 HIS 57 HD2 0.06 -0.01 -0.07 -0.04 6.97 6.91 1nr7L1 HIS 57 HE1 -0.43 0.01 -0.05 -0.04 7.75 7.24 1nr7L1 VAL 58 H 0.19 0.25 0.10 -0.55 8.24 8.24 1nr7L1 VAL 58 HA 0.12 0.16 0.93 -0.75 4.13 4.59 1nr7L1 VAL 58 HB 0.05 0.04 -0.12 -0.04 2.12 2.05 1nr7L1 VAL 58 HG13 0.01 0.01 0.01 -0.04 0.97 0.96 1nr7L1 VAL 58 HG23 -0.03 -0.03 -0.24 -0.04 0.95 0.61 1nr7L1 LEU 59 H -0.33 0.58 0.28 -0.55 8.37 8.35 1nr7L1 LEU 59 HA -0.10 0.11 0.91 -0.75 4.35 4.52 1nr7L1 LEU 59 HB2 -0.69 0.07 0.02 -0.04 1.64 0.99 1nr7L1 LEU 59 HB3 -1.33 0.04 0.17 -0.04 1.64 0.48 1nr7L1 LEU 59 HG -0.21 -0.10 -0.44 -0.04 1.64 0.85 1nr7L1 LEU 59 HD13 -0.05 0.01 -0.05 -0.04 0.93 0.79 1nr7L1 LEU 59 HD23 -0.35 0.02 -0.16 -0.04 0.89 0.36 1nr7L1 SER 60 H 0.00 0.23 0.24 -0.55 8.46 8.39 1nr7L1 SER 60 HA 0.23 0.14 0.95 -0.75 4.49 5.06 1nr7L1 SER 60 HB2 0.08 0.01 0.08 -0.04 3.95 4.08 1nr7L1 SER 60 HB3 0.21 -0.04 0.05 -0.04 3.93 4.12 1nr7L1 LEU 61 H 0.13 0.77 0.43 -0.55 8.37 9.15 1nr7L1 LEU 61 HA 0.10 0.07 0.69 -0.75 4.35 4.46 1nr7L1 LEU 61 HB2 0.18 0.04 -0.10 -0.04 1.64 1.72 1nr7L1 LEU 61 HB3 0.08 0.13 -0.14 -0.04 1.64 1.67 1nr7L1 LEU 61 HG 0.17 0.02 -0.19 -0.04 1.64 1.60 1nr7L1 LEU 61 HD13 0.52 -0.03 -0.16 -0.04 0.93 1.23 1nr7L1 LEU 61 HD23 -0.00 0.01 -0.27 -0.04 0.89 0.58 1nr7L1 SER 62 H 0.10 0.22 0.17 -0.55 8.46 8.41 1nr7L1 SER 62 HA -0.03 0.26 0.86 -0.75 4.49 4.82 1nr7L1 SER 62 HB2 -0.01 -0.02 -0.08 -0.04 3.95 3.79 1nr7L1 SER 62 HB3 0.02 -0.05 -0.01 -0.04 3.93 3.85 1nr7L1 PHE 63 H -0.31 0.76 0.26 -0.55 8.34 8.49 1nr7L1 PHE 63 HA 0.04 0.15 0.78 -0.75 4.62 4.83 1nr7L1 PHE 63 HB2 0.04 0.06 0.04 -0.04 3.15 3.25 1nr7L1 PHE 63 HB3 0.05 0.00 -0.22 -0.04 3.06 2.85 1nr7L1 PHE 63 HD2 0.03 0.10 -0.27 -0.04 7.28 7.09 1nr7L1 PHE 63 HE2 -0.16 -0.04 -0.15 -0.04 7.38 6.99 1nr7L1 PHE 63 HZ -0.23 -0.10 -0.20 -0.04 7.32 6.74 1nr7L1 PRO 64 HA -0.04 0.24 0.89 -0.51 4.44 5.02 1nr7L1 PRO 64 HB2 0.30 0.02 -0.00 -0.04 2.28 2.56 1nr7L1 PRO 64 HB3 0.17 -0.04 -0.00 -0.04 2.02 2.12 1nr7L1 PRO 64 HG2 0.20 0.04 0.03 -0.04 2.03 2.26 1nr7L1 PRO 64 HG3 0.18 0.04 0.03 -0.04 2.03 2.24 1nr7L1 PRO 64 HD2 0.20 0.14 0.24 -0.04 3.68 4.21 1nr7L1 PRO 64 HD3 0.12 0.13 0.11 -0.04 3.65 3.97 1nr7L1 ILE 65 H -0.06 0.51 0.41 -0.55 8.25 8.55 1nr7L1 ILE 65 HA -0.07 0.16 0.60 -0.75 4.18 4.12 1nr7L1 ILE 65 HB -0.10 -0.03 -0.07 -0.04 1.89 1.65 1nr7L1 ILE 65 HG12 -0.14 0.08 -0.04 -0.04 1.49 1.36 1nr7L1 ILE 65 HG13 -0.13 -0.09 -0.43 -0.04 1.21 0.51 1nr7L1 ILE 65 HG23 -0.01 0.03 -0.30 -0.04 0.93 0.61 1nr7L1 ILE 65 HD13 -0.13 -0.01 -0.19 -0.04 0.88 0.51 1nr7L1 ARG 66 H -0.28 0.20 0.05 -0.55 8.46 7.88 1nr7L1 ARG 66 HA -0.85 0.28 0.84 -0.75 4.34 3.86 1nr7L1 ARG 66 HB2 -0.87 -0.02 0.03 -0.04 1.90 1.00 1nr7L1 ARG 66 HB3 -0.39 -0.06 0.18 -0.04 1.80 1.49 1nr7L1 ARG 66 HG2 -0.44 0.02 -0.14 -0.04 1.67 1.07 1nr7L1 ARG 66 HG3 -1.26 0.19 -0.03 -0.04 1.67 0.53 1nr7L1 ARG 66 HD2 -0.25 -0.06 0.00 -0.04 3.22 2.88 1nr7L1 ARG 66 HD3 -0.28 0.02 -0.00 -0.04 3.22 2.92 1nr7L1 ARG 67 H -0.23 0.22 -0.14 -0.55 8.46 7.76 1nr7L1 ARG 67 HA -0.07 -0.02 0.29 -0.75 4.34 3.78 1nr7L1 ARG 67 HB2 -0.07 -0.07 -0.13 -0.04 1.90 1.59 1nr7L1 ARG 67 HB3 -0.03 -0.04 0.01 -0.04 1.80 1.71 1nr7L1 ARG 67 HG2 -0.02 0.01 -0.14 -0.04 1.67 1.47 1nr7L1 ARG 67 HG3 -0.07 0.07 -0.27 -0.04 1.67 1.36 1nr7L1 ARG 67 HD2 0.03 0.04 -0.14 -0.04 3.22 3.11 1nr7L1 ARG 67 HD3 -0.02 0.00 -0.10 -0.04 3.22 3.06 1nr7L1 ASP 68 H -0.05 0.05 0.13 -0.55 8.40 7.99 1nr7L1 ASP 68 HA -0.07 0.15 0.36 -0.75 4.63 4.32 1nr7L1 ASP 68 HB2 -0.03 -0.04 0.10 -0.04 2.71 2.70 1nr7L1 ASP 68 HB3 -0.03 0.07 0.03 -0.04 2.70 2.73 1nr7L1 ASP 69 H -0.05 0.00 -0.40 -0.55 8.40 7.41 1nr7L1 ASP 69 HA -0.03 0.19 0.65 -0.75 4.63 4.69 1nr7L1 ASP 69 HB2 -0.01 0.05 0.19 -0.04 2.71 2.90 1nr7L1 ASP 69 HB3 -0.02 0.01 0.05 -0.04 2.70 2.70 1nr7L1 GLY 70 H -0.08 0.33 -0.73 -0.55 8.43 7.41 1nr7L1 GLY 70 HA2 -0.12 0.04 0.27 -0.51 4.01 3.69 1nr7L1 GLY 70 HA3 -0.01 -0.01 0.26 -0.51 4.01 3.75 1nr7L1 SER 71 H -0.03 -0.05 -0.61 -0.55 8.46 7.22 1nr7L1 SER 71 HA 0.15 0.10 0.41 -0.75 4.49 4.40 1nr7L1 SER 71 HB2 0.02 -0.05 -0.08 -0.04 3.95 3.80 1nr7L1 SER 71 HB3 0.07 0.02 0.15 -0.04 3.93 4.12 1nr7L1 TRP 72 H 0.26 0.23 0.24 -0.55 7.97 8.15 1nr7L1 TRP 72 HA -0.01 0.23 0.91 -0.75 4.62 5.00 1nr7L1 TRP 72 HB2 -0.01 -0.02 0.07 -0.04 3.23 3.23 1nr7L1 TRP 72 HB3 -0.01 -0.02 -0.05 -0.04 3.23 3.11 1nr7L1 TRP 72 HD1 -0.01 -0.05 -0.05 -0.04 7.22 7.08 1nr7L1 TRP 72 HE1 0.01 -0.00 -0.09 -0.04 10.20 10.07 1nr7L1 TRP 72 HE3 -0.00 -0.05 -0.19 -0.04 7.59 7.30 1nr7L1 TRP 72 HZ2 0.00 -0.02 -0.04 -0.04 7.44 7.35 1nr7L1 TRP 72 HZ3 -0.00 0.03 -0.00 -0.04 7.13 7.12 1nr7L1 TRP 72 HH2 -0.00 -0.02 -0.01 -0.04 7.19 7.11 1nr7L1 GLU 73 H 0.01 0.51 0.31 -0.55 8.60 8.88 1nr7L1 GLU 73 HA 0.07 0.13 0.63 -0.75 4.29 4.36 1nr7L1 GLU 73 HB2 0.02 0.05 -0.12 -0.04 2.09 2.00 1nr7L1 GLU 73 HB3 -0.01 -0.05 -0.04 -0.04 1.99 1.85 1nr7L1 GLU 73 HG2 -0.04 0.09 -0.31 -0.04 2.34 2.04 1nr7L1 GLU 73 HG3 0.01 0.02 0.05 -0.04 2.34 2.38 1nr7L1 VAL 74 H -0.00 0.19 0.10 -0.55 8.24 7.98 1nr7L1 VAL 74 HA -0.09 0.17 0.86 -0.75 4.13 4.31 1nr7L1 VAL 74 HB -0.05 0.04 -0.17 -0.04 2.12 1.90 1nr7L1 VAL 74 HG13 0.05 0.00 -0.13 -0.04 0.97 0.85 1nr7L1 VAL 74 HG23 -0.02 -0.00 0.05 -0.04 0.95 0.93 1nr7L1 ILE 75 H -0.48 0.73 0.21 -0.55 8.25 8.16 1nr7L1 ILE 75 HA -0.31 0.10 0.78 -0.75 4.18 4.00 1nr7L1 ILE 75 HB -1.38 0.18 0.13 -0.04 1.89 0.78 1nr7L1 ILE 75 HG12 -0.47 -0.06 -0.12 -0.04 1.49 0.80 1nr7L1 ILE 75 HG13 -0.34 0.00 -0.12 -0.04 1.21 0.71 1nr7L1 ILE 75 HG23 -0.55 -0.01 -0.30 -0.04 0.93 0.04 1nr7L1 ILE 75 HD13 -0.27 -0.05 -0.28 -0.04 0.88 0.23 1nr7L1 GLU 76 H -0.24 0.18 0.25 -0.55 8.60 8.24 1nr7L1 GLU 76 HA -0.14 0.40 1.10 -0.75 4.29 4.91 1nr7L1 GLU 76 HB2 -0.05 0.00 0.06 -0.04 2.09 2.06 1nr7L1 GLU 76 HB3 -0.06 -0.00 0.00 -0.04 1.99 1.88 1nr7L1 GLU 76 HG2 -0.12 0.01 0.21 -0.04 2.34 2.40 1nr7L1 GLU 76 HG3 -0.12 -0.06 0.06 -0.04 2.34 2.18 1nr7L1 GLY 77 H -0.12 0.65 0.45 -0.55 8.43 8.86 1nr7L1 GLY 77 HA2 -0.77 -0.03 0.69 -0.51 4.01 3.39 1nr7L1 GLY 77 HA3 -0.38 0.02 0.48 -0.51 4.01 3.61 1nr7L1 TYR 78 H -0.34 0.68 0.46 -0.55 8.29 8.53 1nr7L1 TYR 78 HA 0.06 0.30 0.84 -0.75 4.56 5.01 1nr7L1 TYR 78 HB2 -0.01 -0.02 -0.15 -0.04 3.06 2.85 1nr7L1 TYR 78 HB3 -0.01 0.07 0.10 -0.04 2.98 3.10 1nr7L1 TYR 78 HD2 -0.00 0.03 -0.12 -0.04 7.15 7.01 1nr7L1 TYR 78 HE2 -0.02 -0.03 -0.31 -0.04 6.85 6.45 1nr7L1 ARG 79 H 0.01 0.68 0.34 -0.55 8.46 8.93 1nr7L1 ARG 79 HA 0.13 0.20 1.09 -0.75 4.34 5.00 1nr7L1 ARG 79 HB2 0.09 -0.07 -0.07 -0.04 1.90 1.81 1nr7L1 ARG 79 HB3 -0.18 0.02 0.10 -0.04 1.80 1.70 1nr7L1 ARG 79 HG2 0.29 0.12 -0.12 -0.04 1.67 1.93 1nr7L1 ARG 79 HG3 0.21 0.02 -0.34 -0.04 1.67 1.51 1nr7L1 ARG 79 HD2 0.11 -0.12 -0.36 -0.04 3.22 2.80 1nr7L1 ARG 79 HD3 0.06 0.03 -0.13 -0.04 3.22 3.14 1nr7L1 ALA 80 H 0.11 0.65 0.32 -0.55 8.40 8.93 1nr7L1 ALA 80 HA 0.16 0.19 1.14 -0.75 4.34 5.07 1nr7L1 ALA 80 HB3 0.07 -0.01 -0.09 -0.04 1.41 1.33 1nr7L1 GLN 81 H 0.29 0.85 0.31 -0.55 8.47 9.36 1nr7L1 GLN 81 HA 0.06 0.17 1.03 -0.75 4.36 4.86 1nr7L1 GLN 81 HB2 0.23 -0.07 0.14 -0.04 2.15 2.41 1nr7L1 GLN 81 HB3 -0.13 0.11 -0.03 -0.04 2.02 1.93 1nr7L1 GLN 81 HG2 0.12 -0.01 -0.21 -0.04 2.40 2.26 1nr7L1 GLN 81 HG3 0.53 -0.10 -0.19 -0.04 2.39 2.60 1nr7L1 GLN 81 HE21 -0.38 0.10 -0.12 -0.04 6.97 6.53 1nr7L1 GLN 81 HE22 -0.10 -0.08 -0.15 -0.04 7.69 7.32 1nr7L1 HIS 82 H 0.08 0.68 0.21 -0.55 8.41 8.84 1nr7L1 HIS 82 HA -0.01 -0.07 0.49 -0.75 4.63 4.29 1nr7L1 HIS 82 HB2 -0.05 -0.13 -0.25 -0.04 3.26 2.79 1nr7L1 HIS 82 HB3 -0.11 -0.17 0.24 -0.04 3.20 3.11 1nr7L1 HIS 82 HD2 -0.17 -0.13 -0.04 -0.04 6.97 6.59 1nr7L1 HIS 82 HE1 -0.04 0.29 -0.00 -0.04 7.75 7.95 1nr7L1 SER 83 H 0.03 0.01 0.21 -0.55 8.46 8.16 1nr7L1 SER 83 HA -0.05 0.32 1.11 -0.75 4.49 5.12 1nr7L1 SER 83 HB2 0.11 -0.06 0.17 -0.04 3.95 4.13 1nr7L1 SER 83 HB3 0.13 0.12 -0.01 -0.04 3.93 4.13 1nr7L1 HIS 84 H 0.09 0.14 0.15 -0.55 8.41 8.25 1nr7L1 HIS 84 HA -0.02 0.37 0.75 -0.75 4.63 4.98 1nr7L1 HIS 84 HB2 0.01 -0.02 -0.03 -0.04 3.26 3.18 1nr7L1 HIS 84 HB3 -0.01 0.05 0.05 -0.04 3.20 3.24 1nr7L1 HIS 84 HD2 0.07 -0.02 -0.12 -0.04 6.97 6.86 1nr7L1 HIS 84 HE1 -0.13 0.01 -0.06 -0.04 7.75 7.53 1nr7L1 GLN 85 H -0.08 -0.02 0.01 -0.55 8.47 7.84 1nr7L1 GLN 85 HA -0.31 0.06 0.28 -0.75 4.36 3.64 1nr7L1 GLN 85 HB2 -0.54 0.05 0.08 -0.04 2.15 1.70 1nr7L1 GLN 85 HB3 -0.21 -0.09 0.10 -0.04 2.02 1.78 1nr7L1 GLN 85 HG2 -0.09 0.14 -0.71 -0.04 2.40 1.70 1nr7L1 GLN 85 HG3 -0.09 0.03 -0.12 -0.04 2.39 2.16 1nr7L1 GLN 85 HE21 0.02 0.03 -0.05 -0.04 6.97 6.92 1nr7L1 GLN 85 HE22 0.01 0.02 -0.15 -0.04 7.69 7.53 1nr7L1 ARG 86 H -0.05 0.01 -0.80 -0.55 8.46 7.07 1nr7L1 ARG 86 HA -0.02 0.11 0.69 -0.75 4.34 4.36 1nr7L1 ARG 86 HB2 -0.04 -0.07 -0.36 -0.04 1.90 1.38 1nr7L1 ARG 86 HB3 -0.01 0.07 -0.65 -0.04 1.80 1.17 1nr7L1 ARG 86 HG2 -0.08 -0.06 -0.23 -0.04 1.67 1.26 1nr7L1 ARG 86 HG3 -0.04 0.10 -0.13 -0.04 1.67 1.56 1nr7L1 ARG 86 HD2 -0.03 0.13 -0.08 -0.04 3.22 3.20 1nr7L1 ARG 86 HD3 -0.05 -0.08 -0.32 -0.04 3.22 2.73 1nr7L1 THR 87 H 0.02 0.10 -0.04 -0.55 8.28 7.81 1nr7L1 THR 87 HA 0.05 0.02 0.29 -0.75 4.39 3.99 1nr7L1 THR 87 HB 0.07 0.10 0.10 -0.04 4.32 4.55 1nr7L1 THR 87 HG23 0.04 -0.02 0.06 -0.04 1.22 1.26 1nr7L1 PRO 88 HA -0.15 0.12 0.08 -0.51 4.44 3.98 1nr7L1 PRO 88 HB2 -0.75 -0.05 -0.02 -0.04 2.28 1.42 1nr7L1 PRO 88 HB3 -0.48 0.04 -0.20 -0.04 2.02 1.34 1nr7L1 PRO 88 HG2 -0.09 -0.01 0.02 -0.04 2.03 1.91 1nr7L1 PRO 88 HG3 0.14 0.01 0.01 -0.04 2.03 2.15 1nr7L1 PRO 88 HD2 0.08 0.26 -0.03 -0.04 3.68 3.95 1nr7L1 PRO 88 HD3 0.11 -0.01 0.10 -0.04 3.65 3.81 1nr7L1 CYS 89 H -0.18 0.74 0.38 -0.55 8.50 8.89 1nr7L1 CYS 89 HA -0.18 -0.08 0.67 -0.75 4.58 4.24 1nr7L1 CYS 89 HB2 -0.15 -0.07 0.16 -0.04 2.97 2.86 1nr7L1 CYS 89 HB3 -0.14 -0.07 -0.23 -0.04 2.97 2.49 1nr7L1 LYS 90 H -0.18 0.73 0.32 -0.55 8.42 8.73 1nr7L1 LYS 90 HA -0.34 0.25 0.83 -0.75 4.32 4.30 1nr7L1 LYS 90 HB2 -0.63 0.07 -0.07 -0.04 1.87 1.20 1nr7L1 LYS 90 HB3 -0.07 -0.07 -0.02 -0.04 1.79 1.59 1nr7L1 LYS 90 HG2 0.02 -0.10 -0.11 -0.04 1.46 1.23 1nr7L1 LYS 90 HG3 -0.14 -0.11 -0.06 -0.04 1.46 1.11 1nr7L1 LYS 90 HD2 -0.55 0.30 0.08 -0.04 1.69 1.47 1nr7L1 LYS 90 HD3 -1.19 -0.01 -0.12 -0.04 1.68 0.32 1nr7L1 LYS 90 HE2 -0.15 -0.00 -0.09 -0.04 2.99 2.70 1nr7L1 LYS 90 HE3 0.02 -0.16 -0.16 -0.04 2.99 2.65 1nr7L1 GLY 91 H -0.13 0.39 0.01 -0.55 8.43 8.16 1nr7L1 GLY 91 HA2 -0.04 -0.06 0.41 -0.51 4.01 3.80 1nr7L1 GLY 91 HA3 -0.04 0.24 0.16 -0.51 4.01 3.87 1nr7L1 GLY 92 H -0.02 0.08 0.14 -0.55 8.43 8.09 1nr7L1 GLY 92 HA2 -0.03 0.17 0.56 -0.51 4.01 4.20 1nr7L1 GLY 92 HA3 -0.02 0.00 0.21 -0.51 4.01 3.69 1nr7L1 ILE 93 H -0.04 0.37 0.19 -0.55 8.25 8.22 1nr7L1 ILE 93 HA 0.08 0.21 0.94 -0.75 4.18 4.66 1nr7L1 ILE 93 HB -0.07 -0.10 0.08 -0.04 1.89 1.76 1nr7L1 ILE 93 HG12 0.12 0.10 -0.19 -0.04 1.49 1.47 1nr7L1 ILE 93 HG13 0.02 -0.01 -0.15 -0.04 1.21 1.02 1nr7L1 ILE 93 HG23 0.27 -0.02 -0.23 -0.04 0.93 0.92 1nr7L1 ILE 93 HD13 0.10 0.01 -0.11 -0.04 0.88 0.84 1nr7L1 ARG 94 H 0.06 0.84 0.29 -0.55 8.46 9.11 1nr7L1 ARG 94 HA -0.03 0.02 1.12 -0.75 4.34 4.70 1nr7L1 ARG 94 HB2 0.02 -0.00 0.00 -0.04 1.90 1.88 1nr7L1 ARG 94 HB3 0.05 0.07 0.23 -0.04 1.80 2.10 1nr7L1 ARG 94 HG2 0.05 -0.02 -0.28 -0.04 1.67 1.38 1nr7L1 ARG 94 HG3 0.04 -0.07 -0.05 -0.04 1.67 1.55 1nr7L1 ARG 94 HD2 0.03 -0.03 -0.02 -0.04 3.22 3.15 1nr7L1 ARG 94 HD3 0.03 0.02 -0.04 -0.04 3.22 3.18 1nr7L1 TYR 95 H 0.07 0.09 0.13 -0.55 8.29 8.03 1nr7L1 TYR 95 HA -0.06 0.25 0.93 -0.75 4.56 4.93 1nr7L1 TYR 95 HB2 0.00 -0.04 0.16 -0.04 3.06 3.14 1nr7L1 TYR 95 HB3 -0.01 0.07 0.07 -0.04 2.98 3.06 1nr7L1 TYR 95 HD2 -0.02 -0.01 -0.31 -0.04 7.15 6.77 1nr7L1 TYR 95 HE2 0.03 0.01 -0.13 -0.04 6.85 6.72 1nr7L1 SER 96 H 0.05 0.43 0.27 -0.55 8.46 8.66 1nr7L1 SER 96 HA 0.06 0.15 0.75 -0.75 4.49 4.70 1nr7L1 SER 96 HB2 0.06 0.10 0.06 -0.04 3.95 4.12 1nr7L1 SER 96 HB3 0.06 -0.06 -0.28 -0.04 3.93 3.61 1nr7L1 THR 97 H 0.04 0.19 0.08 -0.55 8.28 8.04 1nr7L1 THR 97 HA 0.01 0.10 0.40 -0.75 4.39 4.15 1nr7L1 THR 97 HB 0.03 0.02 0.02 -0.04 4.32 4.35 1nr7L1 THR 97 HG23 0.02 0.03 0.06 -0.04 1.22 1.28 1nr7L1 ASP 98 H 0.05 0.00 -0.52 -0.55 8.40 7.38 1nr7L1 ASP 98 HA 0.06 0.28 0.83 -0.75 4.63 5.05 1nr7L1 ASP 98 HB2 0.07 -0.02 0.16 -0.04 2.71 2.89 1nr7L1 ASP 98 HB3 0.07 0.08 0.05 -0.04 2.70 2.85 1nr7L1 VAL 99 H 0.06 0.31 -0.35 -0.55 8.24 7.71 1nr7L1 VAL 99 HA 0.05 0.09 0.82 -0.75 4.13 4.35 1nr7L1 VAL 99 HB 0.13 -0.01 -0.10 -0.04 2.12 2.10 1nr7L1 VAL 99 HG13 0.04 -0.00 -0.10 -0.04 0.97 0.87 1nr7L1 VAL 99 HG23 -0.00 0.07 -0.10 -0.04 0.95 0.87 1nr7L1 SER 100 H 0.00 0.12 0.15 -0.55 8.46 8.18 1nr7L1 SER 100 HA 0.07 0.32 0.93 -0.75 4.49 5.06 1nr7L1 SER 100 HB2 -0.02 -0.08 0.06 -0.04 3.95 3.87 1nr7L1 SER 100 HB3 0.06 0.18 -0.05 -0.04 3.93 4.07 1nr7L1 VAL 101 H -0.40 0.28 0.10 -0.55 8.24 7.67 1nr7L1 VAL 101 HA -0.55 0.10 0.27 -0.75 4.13 3.20 1nr7L1 VAL 101 HB -0.31 0.10 -0.06 -0.04 2.12 1.81 1nr7L1 VAL 101 HG13 -0.87 0.03 -0.02 -0.04 0.97 0.07 1nr7L1 VAL 101 HG23 -0.23 0.00 0.02 -0.04 0.95 0.71 1nr7L1 ASP 102 H -0.16 0.04 -0.35 -0.55 8.40 7.39 1nr7L1 ASP 102 HA -0.33 0.19 0.39 -0.75 4.63 4.12 1nr7L1 ASP 102 HB2 0.08 -0.07 0.05 -0.04 2.71 2.72 1nr7L1 ASP 102 HB3 -0.01 -0.02 0.01 -0.04 2.70 2.63 1nr7L1 GLU 103 H -0.30 0.06 -0.18 -0.55 8.60 7.64 1nr7L1 GLU 103 HA -1.17 -0.05 0.37 -0.75 4.29 2.68 1nr7L1 GLU 103 HB2 -0.62 0.01 0.17 -0.04 2.09 1.60 1nr7L1 GLU 103 HB3 -0.21 0.15 0.30 -0.04 1.99 2.19 1nr7L1 GLU 103 HG2 -0.15 0.07 -0.42 -0.04 2.34 1.81 1nr7L1 GLU 103 HG3 -0.27 -0.02 -0.02 -0.04 2.34 2.00 1nr7L1 VAL 104 H -0.10 0.41 -0.10 -0.55 8.24 7.91 1nr7L1 VAL 104 HA -0.00 -0.02 0.25 -0.75 4.13 3.59 1nr7L1 VAL 104 HB 0.07 0.17 -0.13 -0.04 2.12 2.19 1nr7L1 VAL 104 HG13 0.13 0.01 -0.20 -0.04 0.97 0.87 1nr7L1 VAL 104 HG23 -0.01 0.03 -0.07 -0.04 0.95 0.86 1nr7L1 LYS 105 H -0.07 0.46 -0.34 -0.55 8.42 7.91 1nr7L1 LYS 105 HA 0.08 0.04 0.28 -0.75 4.32 3.96 1nr7L1 LYS 105 HB2 -0.13 0.36 0.21 -0.04 1.87 2.26 1nr7L1 LYS 105 HB3 -0.17 -0.01 0.04 -0.04 1.79 1.61 1nr7L1 LYS 105 HG2 0.05 0.01 0.02 -0.04 1.46 1.50 1nr7L1 LYS 105 HG3 -0.08 0.00 -0.03 -0.04 1.46 1.31 1nr7L1 LYS 105 HD2 -0.20 -0.05 -0.05 -0.04 1.69 1.35 1nr7L1 LYS 105 HD3 0.17 -0.03 0.03 -0.04 1.68 1.81 1nr7L1 LYS 105 HE2 -0.00 0.01 -0.00 -0.04 2.99 2.95 1nr7L1 LYS 105 HE3 -0.02 0.11 -0.02 -0.04 2.99 3.03 1nr7L1 ALA 106 H 0.09 0.46 -0.36 -0.55 8.40 8.04 1nr7L1 ALA 106 HA 0.42 0.08 0.52 -0.75 4.34 4.61 1nr7L1 ALA 106 HB3 0.38 -0.02 0.09 -0.04 1.41 1.81 1nr7L1 LEU 107 H 0.03 0.58 0.13 -0.55 8.37 8.56 1nr7L1 LEU 107 HA 0.06 -0.06 0.37 -0.75 4.35 3.97 1nr7L1 LEU 107 HB2 0.01 0.09 0.08 -0.04 1.64 1.79 1nr7L1 LEU 107 HB3 0.02 -0.02 0.03 -0.04 1.64 1.63 1nr7L1 LEU 107 HG -0.03 0.09 0.04 -0.04 1.64 1.70 1nr7L1 LEU 107 HD13 -0.01 -0.02 -0.08 -0.04 0.93 0.78 1nr7L1 LEU 107 HD23 0.06 -0.02 -0.00 -0.04 0.89 0.89 1nr7L1 ALA 108 H 0.05 0.81 -0.27 -0.55 8.40 8.44 1nr7L1 ALA 108 HA -0.00 0.09 0.15 -0.75 4.34 3.83 1nr7L1 ALA 108 HB3 0.08 0.03 -0.14 -0.04 1.41 1.35 1nr7L1 SER 109 H 0.05 0.40 -0.27 -0.55 8.46 8.10 1nr7L1 SER 109 HA -1.16 0.03 0.37 -0.75 4.49 2.97 1nr7L1 SER 109 HB2 0.13 0.12 0.22 -0.04 3.95 4.38 1nr7L1 SER 109 HB3 0.06 0.09 0.22 -0.04 3.93 4.25 1nr7L1 LEU 110 H 0.01 0.39 -0.29 -0.55 8.37 7.94 1nr7L1 LEU 110 HA 0.18 -0.03 0.41 -0.75 4.35 4.17 1nr7L1 LEU 110 HB2 0.10 -0.07 0.08 -0.04 1.64 1.71 1nr7L1 LEU 110 HB3 0.03 0.25 0.24 -0.04 1.64 2.12 1nr7L1 LEU 110 HG 0.02 0.04 -0.14 -0.04 1.64 1.52 1nr7L1 LEU 110 HD13 0.09 -0.03 -0.00 -0.04 0.93 0.95 1nr7L1 LEU 110 HD23 0.05 -0.03 -0.02 -0.04 0.89 0.85 1nr7L1 MET 111 H -0.05 0.65 0.02 -0.55 8.47 8.54 1nr7L1 MET 111 HA -0.05 -0.09 0.29 -0.75 4.52 3.92 1nr7L1 MET 111 HB2 -0.06 0.15 0.34 -0.04 2.15 2.54 1nr7L1 MET 111 HB3 -0.07 0.05 0.11 -0.04 2.03 2.07 1nr7L1 MET 111 HG2 -0.03 -0.11 0.10 -0.04 2.63 2.55 1nr7L1 MET 111 HG3 -0.04 0.14 0.14 -0.04 2.56 2.76 1nr7L1 MET 111 HE3 -0.03 -0.02 -0.10 -0.04 2.10 1.91 1nr7L1 THR 112 H -0.29 0.41 -0.20 -0.55 8.28 7.66 1nr7L1 THR 112 HA -0.13 0.15 0.33 -0.75 4.39 3.99 1nr7L1 THR 112 HB -0.14 -0.02 0.18 -0.04 4.32 4.31 1nr7L1 THR 112 HG23 -0.22 0.01 0.22 -0.04 1.22 1.20 1nr7L1 TYR 113 H -0.29 0.42 -0.12 -0.55 8.29 7.75 1nr7L1 TYR 113 HA -0.01 0.08 0.52 -0.75 4.56 4.40 1nr7L1 TYR 113 HB2 -0.09 0.05 0.14 -0.04 3.06 3.12 1nr7L1 TYR 113 HB3 -0.13 -0.09 0.04 -0.04 2.98 2.76 1nr7L1 TYR 113 HD2 0.11 -0.06 -0.05 -0.04 7.15 7.11 1nr7L1 TYR 113 HE2 0.17 -0.03 -0.08 -0.04 6.85 6.87 1nr7L1 LYS 114 H -0.02 0.63 -0.02 -0.55 8.42 8.46 1nr7L1 LYS 114 HA -0.06 0.15 0.50 -0.75 4.32 4.16 1nr7L1 LYS 114 HB2 -0.04 -0.11 0.00 -0.04 1.87 1.68 1nr7L1 LYS 114 HB3 -0.05 0.05 0.10 -0.04 1.79 1.86 1nr7L1 LYS 114 HG2 -0.06 -0.02 -0.22 -0.04 1.46 1.11 1nr7L1 LYS 114 HG3 -0.06 0.25 0.01 -0.04 1.46 1.61 1nr7L1 LYS 114 HD2 -0.04 -0.02 -0.06 -0.04 1.69 1.53 1nr7L1 LYS 114 HD3 -0.06 -0.06 -0.07 -0.04 1.68 1.45 1nr7L1 LYS 114 HE2 -0.04 0.08 -0.20 -0.04 2.99 2.79 1nr7L1 LYS 114 HE3 -0.03 -0.03 -0.13 -0.04 2.99 2.76 1nr7L1 CYS 115 H -0.06 0.70 -0.06 -0.55 8.50 8.54 1nr7L1 CYS 115 HA -0.09 -0.09 0.29 -0.75 4.58 3.93 1nr7L1 CYS 115 HB2 -0.07 0.18 0.11 -0.04 2.97 3.15 1nr7L1 CYS 115 HB3 -0.12 0.11 0.03 -0.04 2.97 2.95 1nr7L1 ALA 116 H -0.02 0.34 -0.40 -0.55 8.40 7.77 1nr7L1 ALA 116 HA -0.02 0.06 0.33 -0.75 4.34 3.95 1nr7L1 ALA 116 HB3 0.06 0.04 0.11 -0.04 1.41 1.58 1nr7L1 VAL 117 H -0.01 0.41 -0.36 -0.55 8.24 7.73 1nr7L1 VAL 117 HA 0.03 0.02 0.41 -0.75 4.13 3.84 1nr7L1 VAL 117 HB 0.01 0.17 0.19 -0.04 2.12 2.45 1nr7L1 VAL 117 HG13 0.16 -0.06 -0.12 -0.04 0.97 0.91 1nr7L1 VAL 117 HG23 -0.04 0.10 0.01 -0.04 0.95 0.98 1nr7L1 VAL 118 H -0.04 0.39 -0.11 -0.55 8.24 7.93 1nr7L1 VAL 118 HA 0.01 0.11 0.52 -0.75 4.13 4.01 1nr7L1 VAL 118 HB -0.07 -0.07 0.10 -0.04 2.12 2.03 1nr7L1 VAL 118 HG13 -0.10 -0.01 -0.08 -0.04 0.97 0.73 1nr7L1 VAL 118 HG23 -0.11 0.03 -0.05 -0.04 0.95 0.79 1nr7L1 ASP 119 H -0.03 0.33 -0.78 -0.55 8.40 7.38 1nr7L1 ASP 119 HA -0.05 0.08 0.21 -0.75 4.63 4.11 1nr7L1 ASP 119 HB2 0.01 0.11 -0.16 -0.04 2.71 2.63 1nr7L1 ASP 119 HB3 -0.00 -0.07 0.17 -0.04 2.70 2.76 1nr7L1 VAL 120 H -0.18 0.51 -0.25 -0.55 8.24 7.77 1nr7L1 VAL 120 HA -0.77 0.16 0.66 -0.75 4.13 3.42 1nr7L1 VAL 120 HB -0.28 -0.09 0.05 -0.04 2.12 1.76 1nr7L1 VAL 120 HG13 -0.91 -0.02 -0.18 -0.04 0.97 -0.19 1nr7L1 VAL 120 HG23 -0.26 0.00 -0.16 -0.04 0.95 0.50 1nr7L1 PRO 121 HA -0.20 0.10 0.32 -0.51 4.44 4.15 1nr7L1 PRO 121 HB2 -0.09 0.01 0.16 -0.04 2.28 2.32 1nr7L1 PRO 121 HB3 -0.13 0.02 0.06 -0.04 2.02 1.93 1nr7L1 PRO 121 HG2 -0.73 0.03 -0.05 -0.04 2.03 1.24 1nr7L1 PRO 121 HG3 -0.07 -0.00 0.05 -0.04 2.03 1.96 1nr7L1 PRO 121 HD2 -1.98 0.01 0.18 -0.04 3.68 1.85 1nr7L1 PRO 121 HD3 -0.58 0.27 0.21 -0.04 3.65 3.51 1nr7L1 PHE 122 H -0.22 0.45 -0.39 -0.55 8.34 7.62 1nr7L1 PHE 122 HA -0.23 0.44 0.90 -0.75 4.62 4.98 1nr7L1 PHE 122 HB2 -0.22 -0.14 -0.10 -0.04 3.15 2.65 1nr7L1 PHE 122 HB3 -0.22 -0.02 0.06 -0.04 3.06 2.84 1nr7L1 PHE 122 HD2 -0.30 0.13 -0.13 -0.04 7.28 6.94 1nr7L1 PHE 122 HE2 -0.84 -0.03 -0.13 -0.04 7.38 6.33 1nr7L1 PHE 122 HZ -0.41 -0.03 -0.03 -0.04 7.32 6.81 1nr7L1 GLY 123 H -0.05 0.49 0.10 -0.55 8.43 8.43 1nr7L1 GLY 123 HA2 -0.06 0.02 0.75 -0.51 4.01 4.22 1nr7L1 GLY 123 HA3 -0.11 0.28 0.26 -0.51 4.01 3.94 1nr7L1 GLY 124 H -0.06 -0.02 0.24 -0.55 8.43 8.04 1nr7L1 GLY 124 HA2 -0.07 0.17 0.53 -0.51 4.01 4.13 1nr7L1 GLY 124 HA3 -0.10 0.03 0.44 -0.51 4.01 3.87 1nr7L1 ALA 125 H -0.05 0.53 0.51 -0.55 8.40 8.85 1nr7L1 ALA 125 HA 0.03 0.26 0.95 -0.75 4.34 4.82 1nr7L1 ALA 125 HB3 -0.03 -0.01 -0.36 -0.04 1.41 0.97 1nr7L1 LYS 126 H 0.07 0.48 0.26 -0.55 8.42 8.67 1nr7L1 LYS 126 HA 0.03 0.11 0.52 -0.75 4.32 4.23 1nr7L1 LYS 126 HB2 0.02 0.11 -0.28 -0.04 1.87 1.69 1nr7L1 LYS 126 HB3 0.04 -0.01 0.04 -0.04 1.79 1.82 1nr7L1 LYS 126 HG2 0.02 -0.14 -0.03 -0.04 1.46 1.27 1nr7L1 LYS 126 HG3 0.04 0.05 -0.11 -0.04 1.46 1.40 1nr7L1 LYS 126 HD2 0.02 0.15 0.12 -0.04 1.69 1.94 1nr7L1 LYS 126 HD3 0.01 0.05 0.08 -0.04 1.68 1.78 1nr7L1 LYS 126 HE2 0.00 -0.05 -0.04 -0.04 2.99 2.87 1nr7L1 LYS 126 HE3 0.01 -0.05 -0.03 -0.04 2.99 2.88 1nr7L1 ALA 127 H 0.07 0.80 0.39 -0.55 8.40 9.11 1nr7L1 ALA 127 HA 0.16 0.33 1.31 -0.75 4.34 5.38 1nr7L1 ALA 127 HB3 0.23 0.00 0.02 -0.04 1.41 1.62 1nr7L1 GLY 128 H 0.13 0.81 0.42 -0.55 8.43 9.24 1nr7L1 GLY 128 HA2 0.06 0.13 0.98 -0.51 4.01 4.68 1nr7L1 GLY 128 HA3 0.06 -0.07 0.34 -0.51 4.01 3.84 1nr7L1 VAL 129 H -0.01 0.72 0.36 -0.55 8.24 8.77 1nr7L1 VAL 129 HA -0.40 0.18 1.14 -0.75 4.13 4.29 1nr7L1 VAL 129 HB -0.38 -0.09 0.09 -0.04 2.12 1.69 1nr7L1 VAL 129 HG13 -0.47 0.02 -0.28 -0.04 0.97 0.21 1nr7L1 VAL 129 HG23 -0.67 -0.00 -0.26 -0.04 0.95 -0.03 1nr7L1 LYS 130 H -0.32 0.38 0.22 -0.55 8.42 8.14 1nr7L1 LYS 130 HA -0.08 0.16 0.48 -0.75 4.32 4.13 1nr7L1 LYS 130 HB2 -0.18 0.03 0.18 -0.04 1.87 1.87 1nr7L1 LYS 130 HB3 -0.11 -0.04 0.31 -0.04 1.79 1.91 1nr7L1 LYS 130 HG2 -0.01 -0.02 0.08 -0.04 1.46 1.47 1nr7L1 LYS 130 HG3 0.01 0.01 0.08 -0.04 1.46 1.52 1nr7L1 LYS 130 HD2 0.03 -0.02 0.05 -0.04 1.69 1.71 1nr7L1 LYS 130 HD3 -0.01 -0.02 0.08 -0.04 1.68 1.69 1nr7L1 LYS 130 HE2 0.03 0.04 0.06 -0.04 2.99 3.08 1nr7L1 LYS 130 HE3 0.08 0.02 0.03 -0.04 2.99 3.08 1nr7L1 ILE 131 H -0.08 0.42 0.30 -0.55 8.25 8.34 1nr7L1 ILE 131 HA -0.01 0.09 0.55 -0.75 4.18 4.06 1nr7L1 ILE 131 HB -0.34 0.02 -0.55 -0.04 1.89 0.98 1nr7L1 ILE 131 HG12 -0.73 -0.03 -0.16 -0.04 1.49 0.53 1nr7L1 ILE 131 HG13 0.00 -0.10 -0.04 -0.04 1.21 1.03 1nr7L1 ILE 131 HG23 -0.32 -0.04 -0.32 -0.04 0.93 0.21 1nr7L1 ILE 131 HD13 -0.18 0.05 0.02 -0.04 0.88 0.73 1nr7L1 ASN 132 H 0.20 0.22 0.02 -0.55 8.53 8.42 1nr7L1 ASN 132 HA 0.08 0.31 1.02 -0.75 4.76 5.42 1nr7L1 ASN 132 HB2 0.05 -0.01 0.02 -0.04 2.88 2.90 1nr7L1 ASN 132 HB3 0.06 0.02 0.21 -0.04 2.79 3.04 1nr7L1 ASN 132 HD21 0.04 0.05 0.05 -0.04 7.03 7.13 1nr7L1 ASN 132 HD22 0.04 -0.07 0.06 -0.04 7.74 7.74 1nr7L1 PRO 133 HA 0.21 0.02 0.25 -0.51 4.44 4.41 1nr7L1 PRO 133 HB2 0.12 0.04 0.07 -0.04 2.28 2.47 1nr7L1 PRO 133 HB3 0.17 0.02 0.11 -0.04 2.02 2.27 1nr7L1 PRO 133 HG2 0.21 0.15 0.15 -0.04 2.03 2.49 1nr7L1 PRO 133 HG3 0.25 -0.02 0.04 -0.04 2.03 2.26 1nr7L1 PRO 133 HD2 0.11 0.13 0.23 -0.04 3.68 4.11 1nr7L1 PRO 133 HD3 0.11 0.33 -0.12 -0.04 3.65 3.93 1nr7L1 LYS 134 H 0.09 0.02 -0.60 -0.55 8.42 7.37 1nr7L1 LYS 134 HA 0.05 0.11 0.52 -0.75 4.32 4.25 1nr7L1 LYS 134 HB2 0.03 -0.02 0.07 -0.04 1.87 1.90 1nr7L1 LYS 134 HB3 0.02 0.04 0.05 -0.04 1.79 1.85 1nr7L1 LYS 134 HG2 0.05 -0.06 0.01 -0.04 1.46 1.42 1nr7L1 LYS 134 HG3 0.03 0.02 0.03 -0.04 1.46 1.50 1nr7L1 LYS 134 HD2 0.03 0.03 0.05 -0.04 1.69 1.75 1nr7L1 LYS 134 HD3 0.05 0.02 -0.02 -0.04 1.68 1.68 1nr7L1 LYS 134 HE2 0.03 0.01 0.02 -0.04 2.99 3.00 1nr7L1 LYS 134 HE3 0.03 0.02 0.01 -0.04 2.99 3.01 1nr7L1 ASN 135 H 0.01 0.65 0.12 -0.55 8.53 8.77 1nr7L1 ASN 135 HA -0.14 0.14 0.58 -0.75 4.76 4.58 1nr7L1 ASN 135 HB2 -0.36 -0.01 0.08 -0.04 2.88 2.56 1nr7L1 ASN 135 HB3 -0.35 -0.01 0.17 -0.04 2.79 2.56 1nr7L1 ASN 135 HD21 -0.04 -0.01 -0.02 -0.04 7.03 6.92 1nr7L1 ASN 135 HD22 -0.09 0.06 -0.03 -0.04 7.74 7.64 1nr7L1 TYR 136 H 0.08 0.39 -0.61 -0.55 8.29 7.60 1nr7L1 TYR 136 HA -0.02 0.12 0.86 -0.75 4.56 4.76 1nr7L1 TYR 136 HB2 -0.00 0.03 -0.11 -0.04 3.06 2.94 1nr7L1 TYR 136 HB3 -0.02 -0.09 -0.05 -0.04 2.98 2.77 1nr7L1 TYR 136 HD2 -0.05 -0.05 -0.28 -0.04 7.15 6.73 1nr7L1 TYR 136 HE2 -0.08 -0.11 -0.11 -0.04 6.85 6.51 1nr7L1 THR 137 H 0.10 0.06 0.14 -0.55 8.28 8.03 1nr7L1 THR 137 HA 0.05 0.27 0.68 -0.75 4.39 4.64 1nr7L1 THR 137 HB 0.02 -0.01 0.12 -0.04 4.32 4.41 1nr7L1 THR 137 HG23 0.00 0.05 0.01 -0.04 1.22 1.25 1nr7L1 ASP 138 H 0.07 0.25 0.18 -0.55 8.40 8.35 1nr7L1 ASP 138 HA 0.17 0.10 0.36 -0.75 4.63 4.51 1nr7L1 ASP 138 HB2 0.07 -0.04 0.18 -0.04 2.71 2.88 1nr7L1 ASP 138 HB3 0.16 0.05 0.01 -0.04 2.70 2.87 1nr7L1 ASN 139 H 0.01 0.12 -0.16 -0.55 8.53 7.95 1nr7L1 ASN 139 HA -0.14 0.08 0.33 -0.75 4.76 4.27 1nr7L1 ASN 139 HB2 -0.03 0.03 0.09 -0.04 2.88 2.92 1nr7L1 ASN 139 HB3 -0.03 -0.04 0.01 -0.04 2.79 2.69 1nr7L1 ASN 139 HD21 -0.07 0.07 0.02 -0.04 7.03 7.01 1nr7L1 ASN 139 HD22 -0.06 -0.01 0.03 -0.04 7.74 7.66 1nr7L1 GLU 140 H 0.00 0.33 -0.47 -0.55 8.60 7.92 1nr7L1 GLU 140 HA -0.07 0.13 0.53 -0.75 4.29 4.13 1nr7L1 GLU 140 HB2 0.12 0.03 0.18 -0.04 2.09 2.38 1nr7L1 GLU 140 HB3 0.11 0.05 -0.04 -0.04 1.99 2.07 1nr7L1 GLU 140 HG2 0.00 0.03 0.05 -0.04 2.34 2.39 1nr7L1 GLU 140 HG3 0.01 -0.02 0.03 -0.04 2.34 2.31 1nr7L1 LEU 141 H 0.03 0.60 -0.01 -0.55 8.37 8.45 1nr7L1 LEU 141 HA -0.07 -0.01 0.25 -0.75 4.35 3.77 1nr7L1 LEU 141 HB2 0.20 0.16 0.17 -0.04 1.64 2.13 1nr7L1 LEU 141 HB3 0.36 -0.07 -0.03 -0.04 1.64 1.86 1nr7L1 LEU 141 HG 0.16 0.02 -0.18 -0.04 1.64 1.60 1nr7L1 LEU 141 HD13 0.21 0.01 -0.04 -0.04 0.93 1.07 1nr7L1 LEU 141 HD23 0.11 -0.02 -0.03 -0.04 0.89 0.91 1nr7L1 GLU 142 H -0.34 0.57 -0.22 -0.55 8.60 8.06 1nr7L1 GLU 142 HA -1.25 -0.02 0.31 -0.75 4.29 2.57 1nr7L1 GLU 142 HB2 -1.28 0.01 0.03 -0.04 2.09 0.80 1nr7L1 GLU 142 HB3 -0.60 0.05 0.07 -0.04 1.99 1.47 1nr7L1 GLU 142 HG2 -0.92 -0.01 -0.15 -0.04 2.34 1.23 1nr7L1 GLU 142 HG3 -3.20 -0.03 -0.03 -0.04 2.34 -0.96 1nr7L1 LYS 143 H -0.27 0.35 -0.16 -0.55 8.42 7.79 1nr7L1 LYS 143 HA -0.14 -0.02 0.26 -0.75 4.32 3.66 1nr7L1 LYS 143 HB2 -0.12 0.09 0.15 -0.04 1.87 1.95 1nr7L1 LYS 143 HB3 -0.09 -0.05 0.06 -0.04 1.79 1.67 1nr7L1 LYS 143 HG2 -0.14 -0.05 0.09 -0.04 1.46 1.31 1nr7L1 LYS 143 HG3 -0.16 0.31 0.21 -0.04 1.46 1.78 1nr7L1 LYS 143 HD2 -0.12 -0.06 0.05 -0.04 1.69 1.52 1nr7L1 LYS 143 HD3 -0.11 -0.02 0.04 -0.04 1.68 1.55 1nr7L1 LYS 143 HE2 -0.10 0.02 -0.09 -0.04 2.99 2.77 1nr7L1 LYS 143 HE3 -0.11 -0.09 -0.02 -0.04 2.99 2.72 1nr7L1 ILE 144 H -0.10 0.42 -0.62 -0.55 8.25 7.40 1nr7L1 ILE 144 HA 0.18 0.06 0.36 -0.75 4.18 4.03 1nr7L1 ILE 144 HB -0.13 0.12 0.14 -0.04 1.89 1.99 1nr7L1 ILE 144 HG12 -0.18 0.01 -0.12 -0.04 1.49 1.16 1nr7L1 ILE 144 HG13 -0.20 0.13 -0.14 -0.04 1.21 0.96 1nr7L1 ILE 144 HG23 -0.06 -0.02 -0.26 -0.04 0.93 0.55 1nr7L1 ILE 144 HD13 -0.65 -0.03 -0.17 -0.04 0.88 -0.02 1nr7L1 THR 145 H 0.10 0.60 0.16 -0.55 8.28 8.58 1nr7L1 THR 145 HA 0.32 -0.04 0.25 -0.75 4.39 4.16 1nr7L1 THR 145 HB 0.35 0.09 0.14 -0.04 4.32 4.86 1nr7L1 THR 145 HG23 0.40 -0.01 -0.09 -0.04 1.22 1.48 1nr7L1 ARG 146 H 0.02 0.55 -0.41 -0.55 8.46 8.07 1nr7L1 ARG 146 HA 0.06 0.05 0.38 -0.75 4.34 4.07 1nr7L1 ARG 146 HB2 -0.04 0.07 -0.03 -0.04 1.90 1.85 1nr7L1 ARG 146 HB3 -0.01 -0.00 -0.05 -0.04 1.80 1.69 1nr7L1 ARG 146 HG2 -0.04 -0.11 -0.13 -0.04 1.67 1.35 1nr7L1 ARG 146 HG3 -0.15 0.18 -0.40 -0.04 1.67 1.26 1nr7L1 ARG 146 HD2 -0.34 -0.09 -0.16 -0.04 3.22 2.59 1nr7L1 ARG 146 HD3 -0.13 0.03 -0.11 -0.04 3.22 2.96 1nr7L1 ARG 147 H -0.02 0.51 0.01 -0.55 8.46 8.41 1nr7L1 ARG 147 HA -0.09 -0.01 0.42 -0.75 4.34 3.90 1nr7L1 ARG 147 HB2 0.03 0.07 0.08 -0.04 1.90 2.04 1nr7L1 ARG 147 HB3 0.01 -0.04 0.09 -0.04 1.80 1.83 1nr7L1 ARG 147 HG2 0.00 -0.11 0.09 -0.04 1.67 1.61 1nr7L1 ARG 147 HG3 0.01 0.44 0.27 -0.04 1.67 2.35 1nr7L1 ARG 147 HD2 0.15 0.03 0.08 -0.04 3.22 3.44 1nr7L1 ARG 147 HD3 0.10 0.02 0.10 -0.04 3.22 3.40 1nr7L1 PHE 148 H -0.12 0.49 -0.57 -0.55 8.34 7.60 1nr7L1 PHE 148 HA -0.95 0.03 0.39 -0.75 4.62 3.34 1nr7L1 PHE 148 HB2 -0.25 0.01 -0.13 -0.04 3.15 2.74 1nr7L1 PHE 148 HB3 -0.09 0.11 0.03 -0.04 3.06 3.06 1nr7L1 PHE 148 HD2 -0.10 0.01 -0.13 -0.04 7.28 7.03 1nr7L1 PHE 148 HE2 0.04 -0.01 -0.22 -0.04 7.38 7.15 1nr7L1 PHE 148 HZ 0.01 -0.04 -0.26 -0.04 7.32 6.99 1nr7L1 THR 149 H 0.01 0.64 0.01 -0.55 8.28 8.40 1nr7L1 THR 149 HA -0.21 -0.01 0.22 -0.75 4.39 3.64 1nr7L1 THR 149 HB 0.01 0.13 0.17 -0.04 4.32 4.58 1nr7L1 THR 149 HG23 0.05 0.01 -0.14 -0.04 1.22 1.10 1nr7L1 MET 150 H -0.08 0.59 -0.34 -0.55 8.47 8.09 1nr7L1 MET 150 HA -0.01 -0.01 0.36 -0.75 4.52 4.11 1nr7L1 MET 150 HB2 -0.08 0.11 0.12 -0.04 2.15 2.26 1nr7L1 MET 150 HB3 -0.03 -0.04 -0.01 -0.04 2.03 1.92 1nr7L1 MET 150 HG2 -0.03 0.18 -0.06 -0.04 2.63 2.68 1nr7L1 MET 150 HG3 -0.02 -0.04 -0.04 -0.04 2.56 2.42 1nr7L1 MET 150 HE3 -0.01 -0.00 0.01 -0.04 2.10 2.06 1nr7L1 GLU 151 H -0.16 0.46 -0.07 -0.55 8.60 8.29 1nr7L1 GLU 151 HA -0.03 -0.02 0.33 -0.75 4.29 3.81 1nr7L1 GLU 151 HB2 -0.14 0.05 0.05 -0.04 2.09 2.01 1nr7L1 GLU 151 HB3 -0.02 -0.05 -0.01 -0.04 1.99 1.86 1nr7L1 GLU 151 HG2 -0.21 0.50 0.22 -0.04 2.34 2.80 1nr7L1 GLU 151 HG3 -0.04 -0.07 -0.01 -0.04 2.34 2.18 1nr7L1 LEU 152 H -0.29 0.78 -0.26 -0.55 8.37 8.05 1nr7L1 LEU 152 HA -0.12 -0.01 0.20 -0.75 4.35 3.66 1nr7L1 LEU 152 HB2 -0.77 0.01 -0.16 -0.04 1.64 0.68 1nr7L1 LEU 152 HB3 -0.31 0.09 -0.18 -0.04 1.64 1.21 1nr7L1 LEU 152 HG -0.06 0.12 -0.19 -0.04 1.64 1.47 1nr7L1 LEU 152 HD13 -0.32 -0.04 -0.11 -0.04 0.93 0.42 1nr7L1 LEU 152 HD23 -0.47 -0.04 -0.13 -0.04 0.89 0.21 1nr7L1 ALA 153 H -0.05 0.49 -0.49 -0.55 8.40 7.80 1nr7L1 ALA 153 HA 0.03 0.06 0.67 -0.75 4.34 4.34 1nr7L1 ALA 153 HB3 0.13 0.01 0.15 -0.04 1.41 1.66 1nr7L1 LYS 154 H 0.02 0.56 0.13 -0.55 8.42 8.57 1nr7L1 LYS 154 HA 0.04 0.02 0.44 -0.75 4.32 4.06 1nr7L1 LYS 154 HB2 0.02 0.09 0.09 -0.04 1.87 2.03 1nr7L1 LYS 154 HB3 0.02 -0.05 0.09 -0.04 1.79 1.82 1nr7L1 LYS 154 HG2 0.02 -0.05 0.06 -0.04 1.46 1.45 1nr7L1 LYS 154 HG3 0.01 0.18 0.08 -0.04 1.46 1.70 1nr7L1 LYS 154 HD2 0.01 -0.01 -0.07 -0.04 1.69 1.58 1nr7L1 LYS 154 HD3 0.02 -0.02 0.00 -0.04 1.68 1.63 1nr7L1 LYS 154 HE2 0.01 -0.01 -0.01 -0.04 2.99 2.94 1nr7L1 LYS 154 HE3 0.00 -0.02 -0.07 -0.04 2.99 2.86 1nr7L1 LYS 155 H 0.07 0.23 -0.66 -0.55 8.42 7.51 1nr7L1 LYS 155 HA 0.07 0.16 0.80 -0.75 4.32 4.60 1nr7L1 LYS 155 HB2 0.22 0.04 -0.10 -0.04 1.87 1.99 1nr7L1 LYS 155 HB3 0.21 -0.04 0.07 -0.04 1.79 1.99 1nr7L1 LYS 155 HG2 0.05 0.09 -0.14 -0.04 1.46 1.42 1nr7L1 LYS 155 HG3 0.05 -0.06 -0.08 -0.04 1.46 1.33 1nr7L1 LYS 155 HD2 0.07 -0.03 -0.03 -0.04 1.69 1.65 1nr7L1 LYS 155 HD3 0.05 0.16 -0.24 -0.04 1.68 1.61 1nr7L1 LYS 155 HE2 0.03 -0.02 -0.09 -0.04 2.99 2.87 1nr7L1 LYS 155 HE3 0.04 -0.03 -0.04 -0.04 2.99 2.91 1nr7L1 GLY 156 H 0.04 0.46 -0.26 -0.55 8.43 8.12 1nr7L1 GLY 156 HA2 -0.06 -0.00 0.32 -0.51 4.01 3.75 1nr7L1 GLY 156 HA3 -0.15 0.05 0.43 -0.51 4.01 3.83 1nr7L1 PHE 157 H 0.04 0.40 0.18 -0.55 8.34 8.41 1nr7L1 PHE 157 HA -0.06 0.12 0.57 -0.75 4.62 4.50 1nr7L1 PHE 157 HB2 -0.09 0.12 -0.06 -0.04 3.15 3.07 1nr7L1 PHE 157 HB3 -0.09 -0.14 0.09 -0.04 3.06 2.87 1nr7L1 PHE 157 HD2 -0.02 -0.06 -0.35 -0.04 7.28 6.80 1nr7L1 PHE 157 HE2 0.02 -0.03 -0.12 -0.04 7.38 7.21 1nr7L1 PHE 157 HZ 0.05 -0.11 -0.16 -0.04 7.32 7.06 1nr7L1 ILE 158 H -0.07 0.11 -0.10 -0.55 8.25 7.64 1nr7L1 ILE 158 HA -0.14 0.40 0.53 -0.75 4.18 4.20 1nr7L1 ILE 158 HB -0.13 0.06 -0.33 -0.04 1.89 1.46 1nr7L1 ILE 158 HG12 -0.14 0.04 0.09 -0.04 1.49 1.44 1nr7L1 ILE 158 HG13 -0.15 -0.13 -0.06 -0.04 1.21 0.83 1nr7L1 ILE 158 HG23 -0.13 -0.01 -0.14 -0.04 0.93 0.61 1nr7L1 ILE 158 HD13 -0.33 0.01 -0.09 -0.04 0.88 0.43 1nr7L1 GLY 159 H -0.18 0.78 0.21 -0.55 8.43 8.69 1nr7L1 GLY 159 HA2 -0.36 0.14 0.46 -0.51 4.01 3.74 1nr7L1 GLY 159 HA3 -0.08 0.02 0.40 -0.51 4.01 3.84 1nr7L1 PRO 160 HA 0.22 0.31 0.22 -0.51 4.44 4.68 1nr7L1 PRO 160 HB2 0.18 0.05 -0.17 -0.04 2.28 2.30 1nr7L1 PRO 160 HB3 0.14 0.03 -0.33 -0.04 2.02 1.83 1nr7L1 PRO 160 HG2 0.14 -0.01 -0.10 -0.04 2.03 2.02 1nr7L1 PRO 160 HG3 0.19 -0.02 -0.20 -0.04 2.03 1.95 1nr7L1 PRO 160 HD2 0.08 0.08 0.15 -0.04 3.68 3.95 1nr7L1 PRO 160 HD3 -0.09 0.17 0.08 -0.04 3.65 3.77 1nr7L1 GLY 161 H 0.09 -0.04 -0.58 -0.55 8.43 7.36 1nr7L1 GLY 161 HA2 0.27 0.30 0.89 -0.51 4.01 4.96 1nr7L1 GLY 161 HA3 0.15 -0.03 0.22 -0.51 4.01 3.83 1nr7L1 ILE 162 H -0.01 0.37 -0.24 -0.55 8.25 7.82 1nr7L1 ILE 162 HA -0.03 0.25 0.81 -0.75 4.18 4.46 1nr7L1 ILE 162 HB -0.09 -0.16 -0.00 -0.04 1.89 1.60 1nr7L1 ILE 162 HG12 -0.03 0.10 -0.18 -0.04 1.49 1.35 1nr7L1 ILE 162 HG13 0.00 -0.21 -0.24 -0.04 1.21 0.72 1nr7L1 ILE 162 HG23 -0.14 0.01 -0.22 -0.04 0.93 0.54 1nr7L1 ILE 162 HD13 -0.02 0.02 -0.05 -0.04 0.88 0.78 1nr7L1 ASP 163 H -0.12 0.12 0.14 -0.55 8.40 8.00 1nr7L1 ASP 163 HA -0.21 0.25 0.77 -0.75 4.63 4.69 1nr7L1 ASP 163 HB2 -0.13 0.06 -0.38 -0.04 2.71 2.22 1nr7L1 ASP 163 HB3 -0.10 -0.17 -0.44 -0.04 2.70 1.95 1nr7L1 VAL 164 H -0.37 0.63 0.05 -0.55 8.24 8.01 1nr7L1 VAL 164 HA -0.17 0.47 0.98 -0.75 4.13 4.66 1nr7L1 VAL 164 HB -0.62 -0.07 0.03 -0.04 2.12 1.42 1nr7L1 VAL 164 HG13 -0.06 -0.02 -0.55 -0.04 0.97 0.29 1nr7L1 VAL 164 HG23 -0.24 -0.02 -0.20 -0.04 0.95 0.45 1nr7L1 PRO 165 HA -0.07 0.33 0.38 -0.51 4.44 4.57 1nr7L1 PRO 165 HB2 -0.04 -0.09 -0.02 -0.04 2.28 2.09 1nr7L1 PRO 165 HB3 -0.01 -0.09 0.05 -0.04 2.02 1.93 1nr7L1 PRO 165 HG2 -0.08 -0.03 0.03 -0.04 2.03 1.92 1nr7L1 PRO 165 HG3 -0.06 0.06 -0.04 -0.04 2.03 1.96 1nr7L1 PRO 165 HD2 -0.11 0.28 0.32 -0.04 3.68 4.13 1nr7L1 PRO 165 HD3 -0.13 0.46 0.06 -0.04 3.65 3.99 1nr7L1 ALA 166 H -0.04 0.20 0.32 -0.55 8.40 8.33 1nr7L1 ALA 166 HA -0.04 0.26 0.53 -0.75 4.34 4.33 1nr7L1 ALA 166 HB3 -0.04 0.00 -0.15 -0.04 1.41 1.17 1nr7L1 PRO 167 HA -0.10 0.02 0.55 -0.51 4.44 4.40 1nr7L1 PRO 167 HB2 -0.06 0.05 -0.02 -0.04 2.28 2.20 1nr7L1 PRO 167 HB3 -0.10 -0.05 -0.14 -0.04 2.02 1.69 1nr7L1 PRO 167 HG2 -0.06 0.03 0.08 -0.04 2.03 2.03 1nr7L1 PRO 167 HG3 -0.08 0.05 -0.06 -0.04 2.03 1.89 1nr7L1 PRO 167 HD2 -0.04 0.03 0.14 -0.04 3.68 3.76 1nr7L1 PRO 167 HD3 -0.04 0.54 0.23 -0.04 3.65 4.34 1nr7L1 ASP 168 H -0.10 0.03 0.17 -0.55 8.40 7.94 1nr7L1 ASP 168 HA -0.03 0.25 0.81 -0.75 4.63 4.90 1nr7L1 ASP 168 HB2 -0.05 0.16 -0.13 -0.04 2.71 2.65 1nr7L1 ASP 168 HB3 -0.06 -0.23 0.27 -0.04 2.70 2.63 1nr7L1 MET 169 H -0.02 0.11 0.23 -0.55 8.47 8.24 1nr7L1 MET 169 HA -0.02 0.18 0.70 -0.75 4.52 4.63 1nr7L1 MET 169 HB2 0.01 -0.05 0.16 -0.04 2.15 2.23 1nr7L1 MET 169 HB3 0.01 0.05 0.03 -0.04 2.03 2.07 1nr7L1 MET 169 HG2 0.00 0.01 0.00 -0.04 2.63 2.60 1nr7L1 MET 169 HG3 0.02 0.02 0.02 -0.04 2.56 2.58 1nr7L1 MET 169 HE3 0.03 0.01 0.01 -0.04 2.10 2.10 1nr7L1 SER 170 H -0.03 -0.10 0.14 -0.55 8.46 7.92 1nr7L1 SER 170 HA 0.01 0.19 0.64 -0.75 4.49 4.58 1nr7L1 SER 170 HB2 0.07 0.21 0.23 -0.04 3.95 4.43 1nr7L1 SER 170 HB3 0.04 0.03 0.14 -0.04 3.93 4.10 1nr7L1 THR 171 H -0.12 -0.10 -0.07 -0.55 8.28 7.44 1nr7L1 THR 171 HA -0.16 0.22 0.95 -0.75 4.39 4.64 1nr7L1 THR 171 HB -0.30 -0.01 0.14 -0.04 4.32 4.11 1nr7L1 THR 171 HG23 -0.95 -0.02 -0.05 -0.04 1.22 0.16 1nr7L1 GLY 172 H -0.17 0.07 0.19 -0.55 8.43 7.97 1nr7L1 GLY 172 HA2 -0.10 0.33 0.90 -0.51 4.01 4.64 1nr7L1 GLY 172 HA3 -0.12 0.02 0.34 -0.51 4.01 3.74 1nr7L1 GLU 173 H -0.12 0.19 0.17 -0.55 8.60 8.30 1nr7L1 GLU 173 HA -0.13 0.40 0.50 -0.75 4.29 4.31 1nr7L1 GLU 173 HB2 -0.10 -0.03 -0.01 -0.04 2.09 1.91 1nr7L1 GLU 173 HB3 -0.09 0.05 0.07 -0.04 1.99 1.98 1nr7L1 GLU 173 HG2 -0.11 -0.09 0.09 -0.04 2.34 2.19 1nr7L1 GLU 173 HG3 -0.14 0.04 -0.20 -0.04 2.34 2.00 1nr7L1 ARG 174 H -0.26 0.06 -0.20 -0.55 8.46 7.51 1nr7L1 ARG 174 HA -0.50 0.10 0.35 -0.75 4.34 3.53 1nr7L1 ARG 174 HB2 -0.30 -0.04 0.09 -0.04 1.90 1.61 1nr7L1 ARG 174 HB3 -0.75 0.01 -0.02 -0.04 1.80 1.00 1nr7L1 ARG 174 HG2 -0.39 0.04 0.00 -0.04 1.67 1.28 1nr7L1 ARG 174 HG3 -0.16 0.02 0.02 -0.04 1.67 1.51 1nr7L1 ARG 174 HD2 0.09 0.00 -0.06 -0.04 3.22 3.21 1nr7L1 ARG 174 HD3 0.13 0.03 -0.01 -0.04 3.22 3.33 1nr7L1 GLU 175 H -0.52 0.05 -0.18 -0.55 8.60 7.41 1nr7L1 GLU 175 HA -0.61 0.06 0.39 -0.75 4.29 3.38 1nr7L1 GLU 175 HB2 -0.20 0.01 0.16 -0.04 2.09 2.01 1nr7L1 GLU 175 HB3 0.01 0.08 -0.07 -0.04 1.99 1.96 1nr7L1 GLU 175 HG2 0.30 0.06 0.00 -0.04 2.34 2.66 1nr7L1 GLU 175 HG3 0.36 0.01 -0.02 -0.04 2.34 2.65 1nr7L1 MET 176 H -0.21 0.37 -0.15 -0.55 8.47 7.94 1nr7L1 MET 176 HA -0.04 0.03 0.27 -0.75 4.52 4.03 1nr7L1 MET 176 HB2 -0.12 0.00 0.06 -0.04 2.15 2.06 1nr7L1 MET 176 HB3 -0.06 -0.02 -0.39 -0.04 2.03 1.51 1nr7L1 MET 176 HG2 -0.06 0.14 -0.18 -0.04 2.63 2.48 1nr7L1 MET 176 HG3 -0.04 0.07 -0.25 -0.04 2.56 2.30 1nr7L1 MET 176 HE3 -0.03 -0.00 -0.25 -0.04 2.10 1.78 1nr7L1 SER 177 H -0.23 0.68 -0.16 -0.55 8.46 8.20 1nr7L1 SER 177 HA -0.01 0.05 0.34 -0.75 4.49 4.11 1nr7L1 SER 177 HB2 -0.13 -0.07 0.11 -0.04 3.95 3.82 1nr7L1 SER 177 HB3 -0.31 0.14 0.12 -0.04 3.93 3.83 1nr7L1 TRP 178 H -0.19 0.36 -0.29 -0.55 7.97 7.30 1nr7L1 TRP 178 HA 0.02 0.01 0.45 -0.75 4.62 4.34 1nr7L1 TRP 178 HB2 0.04 0.11 0.13 -0.04 3.23 3.47 1nr7L1 TRP 178 HB3 0.03 -0.05 -0.04 -0.04 3.23 3.13 1nr7L1 TRP 178 HD1 0.02 0.01 -0.08 -0.04 7.22 7.13 1nr7L1 TRP 178 HE1 0.02 -0.03 -0.05 -0.04 10.20 10.10 1nr7L1 TRP 178 HE3 0.07 0.05 0.00 -0.04 7.59 7.68 1nr7L1 TRP 178 HZ2 0.03 -0.01 -0.08 -0.04 7.44 7.33 1nr7L1 TRP 178 HZ3 0.09 -0.01 -0.23 -0.04 7.13 6.94 1nr7L1 TRP 178 HH2 0.04 -0.02 -0.06 -0.04 7.19 7.11 1nr7L1 ILE 179 H 0.21 0.57 -0.05 -0.55 8.25 8.43 1nr7L1 ILE 179 HA 0.13 -0.02 0.25 -0.75 4.18 3.79 1nr7L1 ILE 179 HB 0.05 0.10 0.07 -0.04 1.89 2.07 1nr7L1 ILE 179 HG12 0.15 0.03 -0.04 -0.04 1.49 1.60 1nr7L1 ILE 179 HG13 0.18 0.07 -0.06 -0.04 1.21 1.35 1nr7L1 ILE 179 HG23 -0.00 0.00 -0.24 -0.04 0.93 0.65 1nr7L1 ILE 179 HD13 0.09 -0.02 -0.13 -0.04 0.88 0.78 1nr7L1 ALA 180 H 0.05 0.68 -0.23 -0.55 8.40 8.35 1nr7L1 ALA 180 HA 0.01 0.02 0.27 -0.75 4.34 3.88 1nr7L1 ALA 180 HB3 -0.01 0.02 0.01 -0.04 1.41 1.38 1nr7L1 ASP 181 H 0.07 0.53 -0.17 -0.55 8.40 8.28 1nr7L1 ASP 181 HA -0.04 0.02 0.37 -0.75 4.63 4.23 1nr7L1 ASP 181 HB2 0.11 0.02 0.12 -0.04 2.71 2.92 1nr7L1 ASP 181 HB3 0.14 0.00 0.21 -0.04 2.70 3.01 1nr7L1 THR 182 H 0.10 0.63 0.02 -0.55 8.28 8.49 1nr7L1 THR 182 HA 0.03 -0.04 0.26 -0.75 4.39 3.89 1nr7L1 THR 182 HB 0.09 0.14 0.04 -0.04 4.32 4.55 1nr7L1 THR 182 HG23 0.03 0.01 -0.22 -0.04 1.22 1.00 1nr7L1 TYR 183 H 0.15 0.60 -0.40 -0.55 8.29 8.08 1nr7L1 TYR 183 HA -0.01 -0.07 0.34 -0.75 4.56 4.07 1nr7L1 TYR 183 HB2 -0.02 0.01 0.02 -0.04 3.06 3.03 1nr7L1 TYR 183 HB3 -0.05 0.17 0.10 -0.04 2.98 3.17 1nr7L1 TYR 183 HD2 -0.02 0.09 -0.03 -0.04 7.15 7.15 1nr7L1 TYR 183 HE2 0.02 0.01 0.01 -0.04 6.85 6.86 1nr7L1 ALA 184 H 0.01 0.64 -0.01 -0.55 8.40 8.49 1nr7L1 ALA 184 HA -0.14 -0.02 0.22 -0.75 4.34 3.63 1nr7L1 ALA 184 HB3 -0.12 -0.00 0.01 -0.04 1.41 1.25 1nr7L1 SER 185 H -0.02 0.69 -0.31 -0.55 8.46 8.27 1nr7L1 SER 185 HA 0.03 0.10 0.56 -0.75 4.49 4.42 1nr7L1 SER 185 HB2 -0.01 0.02 -0.07 -0.04 3.95 3.85 1nr7L1 SER 185 HB3 -0.02 -0.08 0.11 -0.04 3.93 3.90 1nr7L1 THR 186 H -0.11 0.36 -0.67 -0.55 8.28 7.31 1nr7L1 THR 186 HA -0.07 0.13 0.77 -0.75 4.39 4.47 1nr7L1 THR 186 HB -0.06 -0.04 0.23 -0.04 4.32 4.41 1nr7L1 THR 186 HG23 -0.03 -0.01 0.08 -0.04 1.22 1.23 1nr7L1 ILE 187 H -0.08 0.13 0.16 -0.55 8.25 7.91 1nr7L1 ILE 187 HA -0.03 0.02 0.37 -0.75 4.18 3.79 1nr7L1 ILE 187 HB -0.08 0.01 0.14 -0.04 1.89 1.92 1nr7L1 ILE 187 HG12 -0.00 -0.06 0.13 -0.04 1.49 1.52 1nr7L1 ILE 187 HG13 0.05 0.03 0.01 -0.04 1.21 1.26 1nr7L1 ILE 187 HG23 0.05 0.01 -0.16 -0.04 0.93 0.79 1nr7L1 ILE 187 HD13 0.02 0.00 0.04 -0.04 0.88 0.90 1nr7L1 GLY 188 H -0.75 0.53 -0.15 -0.55 8.43 7.51 1nr7L1 GLY 188 HA2 -0.21 0.04 0.64 -0.51 4.01 3.96 1nr7L1 GLY 188 HA3 -0.90 -0.01 0.26 -0.51 4.01 2.85 1nr7L1 HIS 189 H -0.03 0.60 -0.33 -0.55 8.41 8.10 1nr7L1 HIS 189 HA -0.14 0.36 0.41 -0.75 4.63 4.50 1nr7L1 HIS 189 HB2 -0.15 0.14 0.06 -0.04 3.26 3.27 1nr7L1 HIS 189 HB3 -0.23 -0.12 0.06 -0.04 3.20 2.88 1nr7L1 HIS 189 HD2 -0.96 -0.05 -0.10 -0.04 6.97 5.80 1nr7L1 HIS 189 HE1 -0.12 -0.06 -0.01 -0.04 7.75 7.52 1nr7L1 TYR 190 H 0.19 0.09 -0.25 -0.55 8.29 7.77 1nr7L1 TYR 190 HA -0.18 0.12 0.54 -0.75 4.56 4.29 1nr7L1 TYR 190 HB2 -0.02 0.00 0.03 -0.04 3.06 3.04 1nr7L1 TYR 190 HB3 -0.03 -0.03 0.04 -0.04 2.98 2.91 1nr7L1 TYR 190 HD2 0.01 0.03 0.02 -0.04 7.15 7.16 1nr7L1 TYR 190 HE2 0.05 -0.01 -0.02 -0.04 6.85 6.84 1nr7L1 ASP 191 H 0.05 0.21 -0.21 -0.55 8.40 7.90 1nr7L1 ASP 191 HA 0.07 -0.04 0.43 -0.75 4.63 4.35 1nr7L1 ASP 191 HB2 0.10 0.00 0.16 -0.04 2.71 2.93 1nr7L1 ASP 191 HB3 0.11 0.05 0.18 -0.04 2.70 3.00 1nr7L1 ILE 192 H 0.05 0.14 0.24 -0.55 8.25 8.13 1nr7L1 ILE 192 HA 0.01 0.17 0.50 -0.75 4.18 4.11 1nr7L1 ILE 192 HB -0.01 0.04 0.16 -0.04 1.89 2.05 1nr7L1 ILE 192 HG12 -0.07 0.04 0.10 -0.04 1.49 1.52 1nr7L1 ILE 192 HG13 -0.11 0.00 0.14 -0.04 1.21 1.20 1nr7L1 ILE 192 HG23 0.05 -0.00 -0.05 -0.04 0.93 0.89 1nr7L1 ILE 192 HD13 -0.12 -0.00 0.03 -0.04 0.88 0.75 1nr7L1 ASN 193 H 0.10 -0.00 -0.38 -0.55 8.53 7.70 1nr7L1 ASN 193 HA 0.11 0.31 0.78 -0.75 4.76 5.21 1nr7L1 ASN 193 HB2 0.06 -0.04 -0.07 -0.04 2.88 2.78 1nr7L1 ASN 193 HB3 -0.05 0.06 0.03 -0.04 2.79 2.78 1nr7L1 ASN 193 HD21 0.03 0.04 -0.06 -0.04 7.03 6.99 1nr7L1 ASN 193 HD22 0.05 -0.03 -0.07 -0.04 7.74 7.64 1nr7L1 ALA 194 H 0.16 0.48 -0.35 -0.55 8.40 8.14 1nr7L1 ALA 194 HA 0.34 -0.03 0.29 -0.75 4.34 4.19 1nr7L1 ALA 194 HB3 0.14 0.08 0.06 -0.04 1.41 1.65 1nr7L1 HIS 195 H 0.37 0.16 -0.41 -0.55 8.41 7.99 1nr7L1 HIS 195 HA 0.10 0.06 0.49 -0.75 4.63 4.52 1nr7L1 HIS 195 HB2 0.04 0.04 0.02 -0.04 3.26 3.33 1nr7L1 HIS 195 HB3 0.04 0.08 0.19 -0.04 3.20 3.46 1nr7L1 HIS 195 HD2 0.05 0.08 0.01 -0.04 6.97 7.07 1nr7L1 HIS 195 HE1 0.04 0.03 -0.07 -0.04 7.75 7.71 1nr7L1 ALA 196 H 0.13 0.66 -0.63 -0.55 8.40 8.01 1nr7L1 ALA 196 HA 0.12 0.17 0.80 -0.75 4.34 4.68 1nr7L1 ALA 196 HB3 -0.07 0.00 0.04 -0.04 1.41 1.34 1nr7L1 CYS 197 H 0.06 0.29 -0.17 -0.55 8.50 8.13 1nr7L1 CYS 197 HA -0.05 0.00 0.30 -0.75 4.58 4.07 1nr7L1 CYS 197 HB2 -0.53 -0.09 -0.05 -0.04 2.97 2.27 1nr7L1 CYS 197 HB3 -0.35 0.04 0.10 -0.04 2.97 2.72 1nr7L1 VAL 198 H 0.04 0.25 -0.31 -0.55 8.24 7.67 1nr7L1 VAL 198 HA -0.04 0.26 0.44 -0.75 4.13 4.03 1nr7L1 VAL 198 HB -0.05 0.03 -0.38 -0.04 2.12 1.68 1nr7L1 VAL 198 HG13 0.00 -0.03 -0.27 -0.04 0.97 0.63 1nr7L1 VAL 198 HG23 -0.03 -0.00 -0.26 -0.04 0.95 0.62 1nr7L1 THR 199 H -0.01 0.56 0.08 -0.55 8.28 8.35 1nr7L1 THR 199 HA 0.06 0.22 0.86 -0.75 4.39 4.78 1nr7L1 THR 199 HB 0.08 -0.22 0.14 -0.04 4.32 4.28 1nr7L1 THR 199 HG23 0.16 0.09 -0.21 -0.04 1.22 1.22 1nr7L1 GLY 200 H 0.03 0.13 0.15 -0.55 8.43 8.19 1nr7L1 GLY 200 HA2 -0.01 -0.04 0.30 -0.51 4.01 3.75 1nr7L1 GLY 200 HA3 -0.03 0.10 0.58 -0.51 4.01 4.16 1nr7L1 LYS 201 H 0.00 0.09 -0.06 -0.55 8.42 7.90 1nr7L1 LYS 201 HA -0.06 0.13 0.71 -0.75 4.32 4.34 1nr7L1 LYS 201 HB2 -0.01 0.01 -0.13 -0.04 1.87 1.70 1nr7L1 LYS 201 HB3 -0.01 0.03 -0.39 -0.04 1.79 1.38 1nr7L1 LYS 201 HG2 0.03 -0.20 -0.16 -0.04 1.46 1.09 1nr7L1 LYS 201 HG3 0.03 -0.03 -0.53 -0.04 1.46 0.89 1nr7L1 LYS 201 HD2 0.07 -0.00 -0.19 -0.04 1.69 1.53 1nr7L1 LYS 201 HD3 0.04 0.06 -0.22 -0.04 1.68 1.52 1nr7L1 LYS 201 HE2 0.08 -0.08 -0.20 -0.04 2.99 2.75 1nr7L1 LYS 201 HE3 0.11 0.39 0.14 -0.04 2.99 3.59 1nr7L1 PRO 202 HA -0.06 0.03 0.37 -0.51 4.44 4.28 1nr7L1 PRO 202 HB2 -0.02 -0.02 -0.04 -0.04 2.28 2.16 1nr7L1 PRO 202 HB3 -0.04 0.03 0.08 -0.04 2.02 2.04 1nr7L1 PRO 202 HG2 -0.08 0.11 -0.02 -0.04 2.03 2.00 1nr7L1 PRO 202 HG3 -0.09 -0.04 -0.04 -0.04 2.03 1.82 1nr7L1 PRO 202 HD2 -0.05 0.18 0.10 -0.04 3.68 3.87 1nr7L1 PRO 202 HD3 -0.10 0.27 0.17 -0.04 3.65 3.95 1nr7L1 ILE 203 H -0.07 0.15 0.15 -0.55 8.25 7.93 1nr7L1 ILE 203 HA -0.07 0.18 0.36 -0.75 4.18 3.89 1nr7L1 ILE 203 HB -0.08 -0.04 0.13 -0.04 1.89 1.85 1nr7L1 ILE 203 HG12 -0.19 -0.07 0.02 -0.04 1.49 1.21 1nr7L1 ILE 203 HG13 -0.40 0.02 -0.01 -0.04 1.21 0.77 1nr7L1 ILE 203 HG23 -0.01 0.05 -0.14 -0.04 0.93 0.79 1nr7L1 ILE 203 HD13 -0.55 -0.00 -0.37 -0.04 0.88 -0.08 1nr7L1 SER 204 H -0.02 0.02 -0.10 -0.55 8.46 7.81 1nr7L1 SER 204 HA 0.01 0.14 0.35 -0.75 4.49 4.24 1nr7L1 SER 204 HB2 0.01 0.10 0.05 -0.04 3.95 4.07 1nr7L1 SER 204 HB3 0.01 -0.04 0.08 -0.04 3.93 3.93 1nr7L1 GLN 205 H 0.01 0.05 -0.78 -0.55 8.47 7.20 1nr7L1 GLN 205 HA 0.06 0.22 0.71 -0.75 4.36 4.60 1nr7L1 GLN 205 HB2 0.02 -0.03 -0.08 -0.04 2.15 2.03 1nr7L1 GLN 205 HB3 0.09 0.08 0.08 -0.04 2.02 2.23 1nr7L1 GLN 205 HG2 0.02 -0.18 -0.14 -0.04 2.40 2.06 1nr7L1 GLN 205 HG3 0.02 -0.04 -0.02 -0.04 2.39 2.32 1nr7L1 GLN 205 HE21 0.06 0.06 -0.13 -0.04 6.97 6.92 1nr7L1 GLN 205 HE22 0.04 -0.17 -0.31 -0.04 7.69 7.20 1nr7L1 GLY 206 H 0.02 0.31 -0.26 -0.55 8.43 7.95 1nr7L1 GLY 206 HA2 0.01 0.00 0.23 -0.51 4.01 3.75 1nr7L1 GLY 206 HA3 0.04 0.25 0.89 -0.51 4.01 4.68 1nr7L1 GLY 207 H 0.01 0.23 0.14 -0.55 8.43 8.26 1nr7L1 GLY 207 HA2 0.03 -0.01 0.43 -0.51 4.01 3.94 1nr7L1 GLY 207 HA3 -0.02 0.11 0.02 -0.51 4.01 3.61 1nr7L1 ILE 208 H 0.04 0.10 0.15 -0.55 8.25 7.98 1nr7L1 ILE 208 HA 0.15 0.21 0.95 -0.75 4.18 4.73 1nr7L1 ILE 208 HB 0.14 0.13 -0.03 -0.04 1.89 2.09 1nr7L1 ILE 208 HG12 0.16 0.11 -0.15 -0.04 1.49 1.57 1nr7L1 ILE 208 HG13 0.21 -0.06 0.05 -0.04 1.21 1.37 1nr7L1 ILE 208 HG23 0.11 -0.02 -0.11 -0.04 0.93 0.88 1nr7L1 ILE 208 HD13 0.24 0.03 -0.16 -0.04 0.88 0.95 1nr7L1 HIS 209 H 0.40 0.15 0.11 -0.55 8.41 8.52 1nr7L1 HIS 209 HA 0.01 0.00 0.48 -0.75 4.63 4.37 1nr7L1 HIS 209 HB2 0.01 -0.07 0.11 -0.04 3.26 3.27 1nr7L1 HIS 209 HB3 -0.01 -0.00 0.07 -0.04 3.20 3.21 1nr7L1 HIS 209 HD2 0.02 0.02 0.05 -0.04 6.97 7.01 1nr7L1 HIS 209 HE1 0.02 0.12 0.01 -0.04 7.75 7.86 1nr7L1 GLY 210 H 0.04 0.06 0.22 -0.55 8.43 8.20 1nr7L1 GLY 210 HA2 0.06 -0.04 0.32 -0.51 4.01 3.84 1nr7L1 GLY 210 HA3 -0.11 0.22 0.63 -0.51 4.01 4.24 1nr7L1 ARG 211 H 0.02 0.05 0.12 -0.55 8.46 8.09 1nr7L1 ARG 211 HA 0.03 0.23 0.64 -0.75 4.34 4.48 1nr7L1 ARG 211 HB2 0.02 0.17 0.03 -0.04 1.90 2.08 1nr7L1 ARG 211 HB3 -0.01 -0.07 0.12 -0.04 1.80 1.80 1nr7L1 ARG 211 HG2 -0.02 -0.03 -0.22 -0.04 1.67 1.36 1nr7L1 ARG 211 HG3 -0.00 0.05 0.01 -0.04 1.67 1.69 1nr7L1 ARG 211 HD2 -0.02 0.05 -0.01 -0.04 3.22 3.20 1nr7L1 ARG 211 HD3 -0.00 -0.02 0.02 -0.04 3.22 3.17 1nr7L1 ILE 212 H 0.01 0.00 0.08 -0.55 8.25 7.79 1nr7L1 ILE 212 HA -0.05 0.14 0.38 -0.75 4.18 3.90 1nr7L1 ILE 212 HB 0.05 -0.02 0.06 -0.04 1.89 1.95 1nr7L1 ILE 212 HG12 0.01 0.09 0.05 -0.04 1.49 1.60 1nr7L1 ILE 212 HG13 -0.01 0.04 0.05 -0.04 1.21 1.24 1nr7L1 ILE 212 HG23 0.00 0.03 -0.03 -0.04 0.93 0.89 1nr7L1 ILE 212 HD13 0.01 0.05 0.13 -0.04 0.88 1.03 1nr7L1 SER 213 H 0.06 0.03 -0.21 -0.55 8.46 7.80 1nr7L1 SER 213 HA -0.43 0.11 0.46 -0.75 4.49 3.88 1nr7L1 SER 213 HB2 0.25 0.06 0.03 -0.04 3.95 4.25 1nr7L1 SER 213 HB3 0.32 0.02 0.02 -0.04 3.93 4.25 1nr7L1 ALA 214 H 0.02 0.10 -0.80 -0.55 8.40 7.17 1nr7L1 ALA 214 HA 0.02 0.09 0.22 -0.75 4.34 3.92 1nr7L1 ALA 214 HB3 -0.00 0.09 0.05 -0.04 1.41 1.50 1nr7L1 THR 215 H -0.05 0.25 -0.10 -0.55 8.28 7.83 1nr7L1 THR 215 HA -0.04 -0.13 0.28 -0.75 4.39 3.74 1nr7L1 THR 215 HB -0.04 0.01 0.04 -0.04 4.32 4.29 1nr7L1 THR 215 HG23 -0.02 0.02 -0.07 -0.04 1.22 1.11 1nr7L1 GLY 216 H -0.06 0.11 -0.47 -0.55 8.43 7.46 1nr7L1 GLY 216 HA2 0.09 0.08 0.40 -0.51 4.01 4.08 1nr7L1 GLY 216 HA3 0.14 0.00 0.24 -0.51 4.01 3.88 1nr7L1 ARG 217 H -0.00 0.74 0.06 -0.55 8.46 8.70 1nr7L1 ARG 217 HA -0.15 -0.03 0.34 -0.75 4.34 3.75 1nr7L1 ARG 217 HB2 -0.14 0.15 0.08 -0.04 1.90 1.94 1nr7L1 ARG 217 HB3 -0.09 -0.02 -0.03 -0.04 1.80 1.62 1nr7L1 ARG 217 HG2 -1.16 -0.00 0.01 -0.04 1.67 0.48 1nr7L1 ARG 217 HG3 -0.61 -0.03 0.04 -0.04 1.67 1.02 1nr7L1 ARG 217 HD2 -0.42 -0.12 -0.21 -0.04 3.22 2.43 1nr7L1 ARG 217 HD3 -0.76 0.04 -0.07 -0.04 3.22 2.39 1nr7L1 GLY 218 H 0.01 0.43 -0.48 -0.55 8.43 7.84 1nr7L1 GLY 218 HA2 0.02 0.02 0.40 -0.51 4.01 3.94 1nr7L1 GLY 218 HA3 -0.04 -0.09 0.33 -0.51 4.01 3.69 1nr7L1 VAL 219 H 0.04 0.45 0.02 -0.55 8.24 8.20 1nr7L1 VAL 219 HA 0.01 0.03 0.30 -0.75 4.13 3.72 1nr7L1 VAL 219 HB 0.08 0.16 0.19 -0.04 2.12 2.50 1nr7L1 VAL 219 HG13 0.02 -0.02 -0.20 -0.04 0.97 0.72 1nr7L1 VAL 219 HG23 0.02 0.01 -0.02 -0.04 0.95 0.92 1nr7L1 PHE 220 H 0.20 0.37 -0.28 -0.55 8.34 8.08 1nr7L1 PHE 220 HA -0.05 0.01 0.34 -0.75 4.62 4.16 1nr7L1 PHE 220 HB2 0.01 -0.02 -0.01 -0.04 3.15 3.09 1nr7L1 PHE 220 HB3 -0.13 0.11 0.15 -0.04 3.06 3.14 1nr7L1 PHE 220 HD2 -0.47 -0.03 -0.25 -0.04 7.28 6.49 1nr7L1 PHE 220 HE2 -0.21 0.06 -0.04 -0.04 7.38 7.15 1nr7L1 PHE 220 HZ -0.61 0.02 -0.04 -0.04 7.32 6.64 1nr7L1 HIS 221 H 0.32 0.53 0.01 -0.55 8.41 8.73 1nr7L1 HIS 221 HA -0.07 -0.04 0.28 -0.75 4.63 4.06 1nr7L1 HIS 221 HB2 0.03 0.10 0.12 -0.04 3.26 3.46 1nr7L1 HIS 221 HB3 0.03 -0.01 -0.04 -0.04 3.20 3.14 1nr7L1 HIS 221 HD2 0.08 0.02 0.01 -0.04 6.97 7.03 1nr7L1 HIS 221 HE1 -0.21 -0.10 -0.02 -0.04 7.75 7.38 1nr7L1 GLY 222 H 0.10 0.70 -0.30 -0.55 8.43 8.38 1nr7L1 GLY 222 HA2 0.42 0.02 0.32 -0.51 4.01 4.26 1nr7L1 GLY 222 HA3 0.23 0.01 0.26 -0.51 4.01 4.00 1nr7L1 ILE 223 H -0.02 0.60 -0.06 -0.55 8.25 8.21 1nr7L1 ILE 223 HA 0.02 -0.06 0.38 -0.75 4.18 3.76 1nr7L1 ILE 223 HB -0.24 0.13 0.23 -0.04 1.89 1.97 1nr7L1 ILE 223 HG12 -0.06 -0.11 -0.02 -0.04 1.49 1.27 1nr7L1 ILE 223 HG13 -0.04 0.28 0.11 -0.04 1.21 1.52 1nr7L1 ILE 223 HG23 -0.12 -0.03 -0.13 -0.04 0.93 0.61 1nr7L1 ILE 223 HD13 -0.10 -0.04 -0.08 -0.04 0.88 0.62 1nr7L1 GLU 224 H -0.43 0.72 0.03 -0.55 8.60 8.38 1nr7L1 GLU 224 HA -0.31 -0.04 0.28 -0.75 4.29 3.47 1nr7L1 GLU 224 HB2 -1.10 -0.02 -0.02 -0.04 2.09 0.91 1nr7L1 GLU 224 HB3 -0.38 0.09 0.09 -0.04 1.99 1.74 1nr7L1 GLU 224 HG2 -0.21 0.02 -0.32 -0.04 2.34 1.79 1nr7L1 GLU 224 HG3 -0.36 -0.01 -0.04 -0.04 2.34 1.89 1nr7L1 ASN 225 H -0.07 0.75 -0.29 -0.55 8.53 8.37 1nr7L1 ASN 225 HA -0.14 -0.02 0.34 -0.75 4.76 4.19 1nr7L1 ASN 225 HB2 -0.10 0.21 0.13 -0.04 2.88 3.08 1nr7L1 ASN 225 HB3 -0.35 -0.09 0.02 -0.04 2.79 2.33 1nr7L1 ASN 225 HD21 0.04 -0.11 -0.19 -0.04 7.03 6.73 1nr7L1 ASN 225 HD22 0.08 0.18 -0.25 -0.04 7.74 7.71 1nr7L1 PHE 226 H 0.08 0.61 -0.08 -0.55 8.34 8.40 1nr7L1 PHE 226 HA -0.13 0.08 0.75 -0.75 4.62 4.56 1nr7L1 PHE 226 HB2 -0.14 0.11 0.17 -0.04 3.15 3.26 1nr7L1 PHE 226 HB3 -0.17 -0.06 -0.01 -0.04 3.06 2.78 1nr7L1 PHE 226 HD2 -0.40 0.20 0.07 -0.04 7.28 7.10 1nr7L1 PHE 226 HE2 -0.56 -0.01 -0.01 -0.04 7.38 6.75 1nr7L1 PHE 226 HZ -0.42 -0.01 -0.01 -0.04 7.32 6.84 1nr7L1 ILE 227 H 0.02 0.64 0.04 -0.55 8.25 8.40 1nr7L1 ILE 227 HA 0.02 0.00 0.36 -0.75 4.18 3.82 1nr7L1 ILE 227 HB -0.06 -0.00 -0.06 -0.04 1.89 1.73 1nr7L1 ILE 227 HG12 -0.02 0.02 0.09 -0.04 1.49 1.54 1nr7L1 ILE 227 HG13 -0.01 -0.04 0.05 -0.04 1.21 1.18 1nr7L1 ILE 227 HG23 -0.11 0.07 -0.18 -0.04 0.93 0.67 1nr7L1 ILE 227 HD13 -0.03 -0.01 -0.03 -0.04 0.88 0.77 1nr7L1 ASN 228 H -0.05 0.24 -0.68 -0.55 8.53 7.49 1nr7L1 ASN 228 HA -0.03 0.15 0.75 -0.75 4.76 4.87 1nr7L1 ASN 228 HB2 -0.09 0.16 0.03 -0.04 2.88 2.95 1nr7L1 ASN 228 HB3 -0.06 -0.09 0.04 -0.04 2.79 2.64 1nr7L1 ASN 228 HD21 -0.06 -0.03 -0.01 -0.04 7.03 6.89 1nr7L1 ASN 228 HD22 -0.04 -0.04 0.04 -0.04 7.74 7.66 1nr7L1 GLU 229 H 0.01 0.48 -0.32 -0.55 8.60 8.23 1nr7L1 GLU 229 HA 0.01 0.06 0.67 -0.75 4.29 4.28 1nr7L1 GLU 229 HB2 -0.02 0.19 0.20 -0.04 2.09 2.42 1nr7L1 GLU 229 HB3 0.19 0.05 0.29 -0.04 1.99 2.47 1nr7L1 GLU 229 HG2 0.36 0.04 0.05 -0.04 2.34 2.75 1nr7L1 GLU 229 HG3 0.19 -0.29 -0.08 -0.04 2.34 2.12 1nr7L1 ALA 230 H 0.01 0.26 0.16 -0.55 8.40 8.29 1nr7L1 ALA 230 HA 0.02 0.12 0.22 -0.75 4.34 3.95 1nr7L1 ALA 230 HB3 -0.00 0.01 0.08 -0.04 1.41 1.46 1nr7L1 SER 231 H -0.01 0.08 -0.15 -0.55 8.46 7.83 1nr7L1 SER 231 HA -0.06 0.07 0.30 -0.75 4.49 4.04 1nr7L1 SER 231 HB2 -0.26 0.07 -0.03 -0.04 3.95 3.70 1nr7L1 SER 231 HB3 -0.09 0.02 0.08 -0.04 3.93 3.89 1nr7L1 TYR 232 H 0.14 0.13 -0.13 -0.55 8.29 7.88 1nr7L1 TYR 232 HA 0.03 0.07 0.48 -0.75 4.56 4.38 1nr7L1 TYR 232 HB2 0.09 0.15 0.14 -0.04 3.06 3.39 1nr7L1 TYR 232 HB3 0.07 -0.02 -0.00 -0.04 2.98 2.98 1nr7L1 TYR 232 HD2 0.04 -0.01 0.03 -0.04 7.15 7.18 1nr7L1 TYR 232 HE2 0.03 0.07 0.00 -0.04 6.85 6.91 1nr7L1 MET 233 H 0.13 0.66 -0.10 -0.55 8.47 8.62 1nr7L1 MET 233 HA 0.07 -0.01 0.40 -0.75 4.52 4.23 1nr7L1 MET 233 HB2 0.05 0.13 -0.09 -0.04 2.15 2.20 1nr7L1 MET 233 HB3 0.04 -0.11 -0.13 -0.04 2.03 1.79 1nr7L1 MET 233 HG2 0.08 0.20 -0.06 -0.04 2.63 2.81 1nr7L1 MET 233 HG3 0.03 0.19 -0.06 -0.04 2.56 2.68 1nr7L1 MET 233 HE3 0.09 -0.03 -0.26 -0.04 2.10 1.87 1nr7L1 SER 234 H 0.03 0.44 -0.61 -0.55 8.46 7.77 1nr7L1 SER 234 HA 0.02 0.11 0.89 -0.75 4.49 4.75 1nr7L1 SER 234 HB2 -0.00 -0.06 0.09 -0.04 3.95 3.94 1nr7L1 SER 234 HB3 0.00 0.01 -0.04 -0.04 3.93 3.87 1nr7L1 ILE 235 H 0.03 0.49 -0.05 -0.55 8.25 8.17 1nr7L1 ILE 235 HA 0.00 0.09 0.65 -0.75 4.18 4.17 1nr7L1 ILE 235 HB 0.05 0.11 0.13 -0.04 1.89 2.13 1nr7L1 ILE 235 HG12 -0.05 0.27 0.13 -0.04 1.49 1.80 1nr7L1 ILE 235 HG13 -0.08 -0.07 0.01 -0.04 1.21 1.03 1nr7L1 ILE 235 HG23 0.02 -0.02 0.08 -0.04 0.93 0.97 1nr7L1 ILE 235 HD13 -0.04 -0.01 -0.03 -0.04 0.88 0.76 1nr7L1 LEU 236 H 0.04 -0.10 -0.37 -0.55 8.37 7.39 1nr7L1 LEU 236 HA 0.03 0.29 0.86 -0.75 4.35 4.78 1nr7L1 LEU 236 HB2 0.04 -0.09 -0.04 -0.04 1.64 1.51 1nr7L1 LEU 236 HB3 0.03 0.05 0.11 -0.04 1.64 1.79 1nr7L1 LEU 236 HG 0.07 0.25 -0.01 -0.04 1.64 1.91 1nr7L1 LEU 236 HD13 0.04 -0.03 -0.07 -0.04 0.93 0.82 1nr7L1 LEU 236 HD23 0.05 0.05 -0.12 -0.04 0.89 0.82 1nr7L1 GLY 237 H 0.03 -0.13 -0.23 -0.55 8.43 7.55 1nr7L1 GLY 237 HA2 0.02 0.01 0.35 -0.51 4.01 3.88 1nr7L1 GLY 237 HA3 0.02 0.06 0.52 -0.51 4.01 4.09 1nr7L1 MET 238 H 0.03 0.73 0.20 -0.55 8.47 8.88 1nr7L1 MET 238 HA 0.03 0.16 0.72 -0.75 4.52 4.67 1nr7L1 MET 238 HB2 0.03 0.00 0.18 -0.04 2.15 2.33 1nr7L1 MET 238 HB3 0.02 -0.29 0.26 -0.04 2.03 1.98 1nr7L1 MET 238 HG2 0.03 0.04 -0.24 -0.04 2.63 2.42 1nr7L1 MET 238 HG3 0.03 -0.05 -0.03 -0.04 2.56 2.47 1nr7L1 MET 238 HE3 0.03 0.09 -0.13 -0.04 2.10 2.05 1nr7L1 THR 239 H 0.02 0.07 0.16 -0.55 8.28 7.98 1nr7L1 THR 239 HA 0.01 0.03 0.36 -0.75 4.39 4.05 1nr7L1 THR 239 HB 0.02 -0.01 -0.05 -0.04 4.32 4.24 1nr7L1 THR 239 HG23 0.02 0.02 -0.15 -0.04 1.22 1.07 1nr7L1 PRO 240 HA 0.04 0.16 0.33 -0.51 4.44 4.46 1nr7L1 PRO 240 HB2 0.05 -0.25 -0.01 -0.04 2.28 2.03 1nr7L1 PRO 240 HB3 0.06 -0.06 0.14 -0.04 2.02 2.12 1nr7L1 PRO 240 HG2 0.03 0.05 -0.07 -0.04 2.03 2.00 1nr7L1 PRO 240 HG3 0.03 0.23 -0.02 -0.04 2.03 2.23 1nr7L1 PRO 240 HD2 0.02 0.43 0.16 -0.04 3.68 4.25 1nr7L1 PRO 240 HD3 0.02 -0.15 0.06 -0.04 3.65 3.54 1nr7L1 GLY 241 H 0.08 0.08 0.20 -0.55 8.43 8.24 1nr7L1 GLY 241 HA2 0.04 0.28 0.89 -0.51 4.01 4.71 1nr7L1 GLY 241 HA3 0.07 0.06 0.35 -0.51 4.01 3.98 1nr7L1 PHE 242 H 0.14 -0.25 0.14 -0.55 8.34 7.82 1nr7L1 PHE 242 HA -0.00 0.24 0.73 -0.75 4.62 4.84 1nr7L1 PHE 242 HB2 0.00 -0.03 -0.14 -0.04 3.15 2.94 1nr7L1 PHE 242 HB3 -0.00 0.02 -0.04 -0.04 3.06 3.01 1nr7L1 PHE 242 HD2 -0.00 0.03 -0.04 -0.04 7.28 7.22 1nr7L1 PHE 242 HE2 -0.00 -0.01 0.01 -0.04 7.38 7.34 1nr7L1 PHE 242 HZ -0.00 -0.02 0.02 -0.04 7.32 7.27 1nr7L1 GLY 243 H 0.13 -0.09 0.14 -0.55 8.43 8.07 1nr7L1 GLY 243 HA2 0.07 0.21 0.63 -0.51 4.01 4.42 1nr7L1 GLY 243 HA3 0.07 0.06 0.25 -0.51 4.01 3.89 1nr7L1 ASP 244 H 0.03 -0.17 -0.36 -0.55 8.40 7.36 1nr7L1 ASP 244 HA 0.01 0.13 0.16 -0.75 4.63 4.18 1nr7L1 ASP 244 HB2 -0.03 0.00 -0.20 -0.04 2.71 2.44 1nr7L1 ASP 244 HB3 -0.02 0.05 -0.15 -0.04 2.70 2.53 1nr7L1 LYS 245 H 0.00 0.27 0.24 -0.55 8.42 8.37 1nr7L1 LYS 245 HA 0.03 0.08 0.79 -0.75 4.32 4.46 1nr7L1 LYS 245 HB2 0.06 -0.05 0.02 -0.04 1.87 1.85 1nr7L1 LYS 245 HB3 0.06 -0.07 0.03 -0.04 1.79 1.77 1nr7L1 LYS 245 HG2 0.02 0.08 -0.09 -0.04 1.46 1.42 1nr7L1 LYS 245 HG3 0.02 -0.11 -0.69 -0.04 1.46 0.64 1nr7L1 LYS 245 HD2 0.05 -0.01 -0.06 -0.04 1.69 1.63 1nr7L1 LYS 245 HD3 0.00 -0.05 -0.04 -0.04 1.68 1.55 1nr7L1 LYS 245 HE2 0.02 -0.01 -0.07 -0.04 2.99 2.89 1nr7L1 LYS 245 HE3 0.00 0.04 -0.02 -0.04 2.99 2.97 1nr7L1 THR 246 H 0.04 0.13 0.19 -0.55 8.28 8.10 1nr7L1 THR 246 HA -0.05 0.23 1.01 -0.75 4.39 4.83 1nr7L1 THR 246 HB -0.13 0.11 0.15 -0.04 4.32 4.41 1nr7L1 THR 246 HG23 -0.05 0.05 -0.15 -0.04 1.22 1.02 1nr7L1 PHE 247 H -0.19 0.31 0.10 -0.55 8.34 8.01 1nr7L1 PHE 247 HA -0.03 0.29 1.23 -0.75 4.62 5.36 1nr7L1 PHE 247 HB2 -0.01 0.03 0.12 -0.04 3.15 3.25 1nr7L1 PHE 247 HB3 -0.01 -0.07 -0.04 -0.04 3.06 2.90 1nr7L1 PHE 247 HD2 -0.01 -0.04 -0.31 -0.04 7.28 6.88 1nr7L1 PHE 247 HE2 0.02 0.05 -0.30 -0.04 7.38 7.11 1nr7L1 PHE 247 HZ 0.06 -0.01 -0.05 -0.04 7.32 7.27 1nr7L1 VAL 248 H 0.26 0.51 0.39 -0.55 8.24 8.85 1nr7L1 VAL 248 HA -0.09 0.14 0.85 -0.75 4.13 4.28 1nr7L1 VAL 248 HB 0.04 -0.01 -0.01 -0.04 2.12 2.11 1nr7L1 VAL 248 HG13 0.01 0.01 -0.24 -0.04 0.97 0.71 1nr7L1 VAL 248 HG23 -0.09 -0.01 -0.31 -0.04 0.95 0.49 1nr7L1 VAL 249 H 0.06 0.51 0.31 -0.55 8.24 8.57 1nr7L1 VAL 249 HA 0.12 0.27 1.08 -0.75 4.13 4.84 1nr7L1 VAL 249 HB 0.14 0.08 0.08 -0.04 2.12 2.38 1nr7L1 VAL 249 HG13 0.32 0.02 -0.05 -0.04 0.97 1.23 1nr7L1 VAL 249 HG23 0.10 -0.02 -0.29 -0.04 0.95 0.70 1nr7L1 GLN 250 H 0.08 0.53 0.16 -0.55 8.47 8.69 1nr7L1 GLN 250 HA 0.08 -0.04 0.80 -0.75 4.36 4.44 1nr7L1 GLN 250 HB2 0.08 0.03 -0.13 -0.04 2.15 2.08 1nr7L1 GLN 250 HB3 0.07 -0.02 0.10 -0.04 2.02 2.12 1nr7L1 GLN 250 HG2 0.08 -0.04 -0.06 -0.04 2.40 2.34 1nr7L1 GLN 250 HG3 0.08 0.04 -0.08 -0.04 2.39 2.39 1nr7L1 GLN 250 HE21 0.06 -0.03 -0.21 -0.04 6.97 6.75 1nr7L1 GLN 250 HE22 0.06 0.02 -0.07 -0.04 7.69 7.67 1nr7L1 GLY 251 H 0.09 0.12 -0.22 -0.55 8.43 7.88 1nr7L1 GLY 251 HA2 0.12 -0.09 0.25 -0.51 4.01 3.78 1nr7L1 GLY 251 HA3 0.10 0.28 0.64 -0.51 4.01 4.52 1nr7L1 PHE 252 H 0.23 0.10 -0.00 -0.55 8.34 8.12 1nr7L1 PHE 252 HA 0.04 0.20 0.67 -0.75 4.62 4.78 1nr7L1 PHE 252 HB2 0.03 0.08 -0.00 -0.04 3.15 3.23 1nr7L1 PHE 252 HB3 0.03 -0.02 0.16 -0.04 3.06 3.18 1nr7L1 PHE 252 HD2 0.02 0.00 -0.08 -0.04 7.28 7.17 1nr7L1 PHE 252 HE2 -0.03 0.08 -0.13 -0.04 7.38 7.25 1nr7L1 PHE 252 HZ -0.07 0.01 -0.14 -0.04 7.32 7.08 1nr7L1 GLY 253 H 0.13 0.24 -0.43 -0.55 8.43 7.82 1nr7L1 GLY 253 HA2 -0.03 0.24 0.72 -0.51 4.01 4.43 1nr7L1 GLY 253 HA3 0.03 0.04 0.30 -0.51 4.01 3.88 1nr7L1 ASN 254 H -0.00 0.19 0.13 -0.55 8.53 8.30 1nr7L1 ASN 254 HA 0.09 0.08 0.34 -0.75 4.76 4.51 1nr7L1 ASN 254 HB2 0.01 0.06 0.17 -0.04 2.88 3.09 1nr7L1 ASN 254 HB3 0.01 -0.09 0.18 -0.04 2.79 2.85 1nr7L1 ASN 254 HD21 -0.13 0.22 0.06 -0.04 7.03 7.14 1nr7L1 ASN 254 HD22 -0.04 -0.07 0.02 -0.04 7.74 7.61 1nr7L1 VAL 255 H 0.04 0.10 -0.10 -0.55 8.24 7.73 1nr7L1 VAL 255 HA 0.06 -0.05 0.29 -0.75 4.13 3.68 1nr7L1 VAL 255 HB 0.02 -0.06 0.04 -0.04 2.12 2.08 1nr7L1 VAL 255 HG13 0.05 0.01 0.02 -0.04 0.97 1.01 1nr7L1 VAL 255 HG23 0.05 0.08 -0.14 -0.04 0.95 0.90 1nr7L1 GLY 256 H 0.11 0.07 -0.24 -0.55 8.43 7.82 1nr7L1 GLY 256 HA2 0.14 0.01 0.40 -0.51 4.01 4.05 1nr7L1 GLY 256 HA3 0.19 0.26 0.39 -0.51 4.01 4.34 1nr7L1 LEU 257 H 0.13 0.67 -0.20 -0.55 8.37 8.43 1nr7L1 LEU 257 HA 0.48 0.02 0.32 -0.75 4.35 4.42 1nr7L1 LEU 257 HB2 -0.46 0.05 -0.07 -0.04 1.64 1.11 1nr7L1 LEU 257 HB3 -0.04 0.09 0.05 -0.04 1.64 1.70 1nr7L1 LEU 257 HG -0.33 -0.04 -0.28 -0.04 1.64 0.94 1nr7L1 LEU 257 HD13 0.03 -0.01 -0.06 -0.04 0.93 0.85 1nr7L1 LEU 257 HD23 -0.29 0.00 -0.07 -0.04 0.89 0.49 1nr7L1 HIS 258 H 0.30 0.52 -0.03 -0.55 8.41 8.66 1nr7L1 HIS 258 HA -0.13 -0.03 0.34 -0.75 4.63 4.05 1nr7L1 HIS 258 HB2 0.12 0.05 0.09 -0.04 3.26 3.48 1nr7L1 HIS 258 HB3 0.31 -0.04 -0.03 -0.04 3.20 3.40 1nr7L1 HIS 258 HD2 0.21 -0.01 -0.01 -0.04 6.97 7.11 1nr7L1 HIS 258 HE1 -0.01 -0.03 -0.06 -0.04 7.75 7.61 1nr7L1 SER 259 H 0.19 0.60 -0.26 -0.55 8.46 8.44 1nr7L1 SER 259 HA 0.18 -0.02 0.28 -0.75 4.49 4.18 1nr7L1 SER 259 HB2 0.09 0.18 0.16 -0.04 3.95 4.34 1nr7L1 SER 259 HB3 0.01 -0.06 -0.05 -0.04 3.93 3.80 1nr7L1 MET 260 H 0.11 0.53 -0.21 -0.55 8.47 8.35 1nr7L1 MET 260 HA -0.02 -0.00 0.37 -0.75 4.52 4.11 1nr7L1 MET 260 HB2 0.24 -0.01 0.08 -0.04 2.15 2.43 1nr7L1 MET 260 HB3 0.16 0.18 0.24 -0.04 2.03 2.57 1nr7L1 MET 260 HG2 0.15 -0.05 -0.16 -0.04 2.63 2.53 1nr7L1 MET 260 HG3 0.49 -0.02 -0.04 -0.04 2.56 2.94 1nr7L1 MET 260 HE3 0.12 -0.02 -0.01 -0.04 2.10 2.15 1nr7L1 ARG 261 H -0.01 0.51 0.06 -0.55 8.46 8.46 1nr7L1 ARG 261 HA -0.12 -0.07 0.37 -0.75 4.34 3.77 1nr7L1 ARG 261 HB2 -0.43 0.18 0.24 -0.04 1.90 1.85 1nr7L1 ARG 261 HB3 -0.67 -0.02 0.02 -0.04 1.80 1.09 1nr7L1 ARG 261 HG2 -0.18 0.05 -0.02 -0.04 1.67 1.48 1nr7L1 ARG 261 HG3 -0.42 -0.06 -0.08 -0.04 1.67 1.07 1nr7L1 ARG 261 HD2 -0.19 -0.07 0.00 -0.04 3.22 2.93 1nr7L1 ARG 261 HD3 -0.21 -0.02 -0.07 -0.04 3.22 2.89 1nr7L1 TYR 262 H -0.27 0.54 -0.06 -0.55 8.29 7.95 1nr7L1 TYR 262 HA -0.09 -0.01 0.37 -0.75 4.56 4.07 1nr7L1 TYR 262 HB2 -0.06 0.09 -0.02 -0.04 3.06 3.02 1nr7L1 TYR 262 HB3 -0.69 -0.01 0.01 -0.04 2.98 2.25 1nr7L1 TYR 262 HD2 -0.07 0.05 -0.14 -0.04 7.15 6.95 1nr7L1 TYR 262 HE2 0.06 -0.05 -0.03 -0.04 6.85 6.80 1nr7L1 LEU 263 H 0.11 0.53 -0.29 -0.55 8.37 8.18 1nr7L1 LEU 263 HA 0.35 0.00 0.47 -0.75 4.35 4.42 1nr7L1 LEU 263 HB2 -0.19 0.37 0.19 -0.04 1.64 1.96 1nr7L1 LEU 263 HB3 -0.64 -0.04 0.08 -0.04 1.64 1.00 1nr7L1 LEU 263 HG -0.63 -0.09 -0.12 -0.04 1.64 0.76 1nr7L1 LEU 263 HD13 -0.08 -0.01 0.02 -0.04 0.93 0.82 1nr7L1 LEU 263 HD23 -0.46 -0.03 -0.10 -0.04 0.89 0.26 1nr7L1 HIS 264 H 0.22 0.81 0.02 -0.55 8.41 8.92 1nr7L1 HIS 264 HA 0.24 0.33 0.38 -0.75 4.63 4.82 1nr7L1 HIS 264 HB2 0.23 -0.10 0.06 -0.04 3.26 3.41 1nr7L1 HIS 264 HB3 0.07 0.05 0.14 -0.04 3.20 3.42 1nr7L1 HIS 264 HD2 0.03 0.06 0.15 -0.04 6.97 7.16 1nr7L1 HIS 264 HE1 -0.00 -0.03 -0.06 -0.04 7.75 7.62 1nr7L1 ARG 265 H 0.18 0.70 0.07 -0.55 8.46 8.86 1nr7L1 ARG 265 HA 0.13 -0.04 0.32 -0.75 4.34 3.99 1nr7L1 ARG 265 HB2 -0.02 -0.04 0.07 -0.04 1.90 1.87 1nr7L1 ARG 265 HB3 0.04 0.11 0.04 -0.04 1.80 1.94 1nr7L1 ARG 265 HG2 -0.31 0.04 -0.07 -0.04 1.67 1.30 1nr7L1 ARG 265 HG3 -0.10 -0.06 0.05 -0.04 1.67 1.52 1nr7L1 ARG 265 HD2 -0.00 0.02 -0.04 -0.04 3.22 3.15 1nr7L1 ARG 265 HD3 -0.17 -0.01 -0.05 -0.04 3.22 2.94 1nr7L1 PHE 266 H 0.30 0.25 -0.96 -0.55 8.34 7.37 1nr7L1 PHE 266 HA 0.07 0.18 1.00 -0.75 4.62 5.11 1nr7L1 PHE 266 HB2 0.30 0.14 0.08 -0.04 3.15 3.62 1nr7L1 PHE 266 HB3 0.15 -0.04 0.24 -0.04 3.06 3.36 1nr7L1 PHE 266 HD2 0.02 0.06 -0.01 -0.04 7.28 7.31 1nr7L1 PHE 266 HE2 -0.01 -0.04 -0.03 -0.04 7.38 7.25 1nr7L1 PHE 266 HZ 0.04 -0.05 -0.03 -0.04 7.32 7.23 1nr7L1 GLY 267 H 0.06 0.42 -0.18 -0.55 8.43 8.17 1nr7L1 GLY 267 HA2 -0.00 -0.05 0.36 -0.51 4.01 3.81 1nr7L1 GLY 267 HA3 0.07 0.11 0.74 -0.51 4.01 4.42 1nr7L1 ALA 268 H 0.12 0.21 -0.32 -0.55 8.40 7.86 1nr7L1 ALA 268 HA 0.07 0.07 0.35 -0.75 4.34 4.07 1nr7L1 ALA 268 HB3 0.25 0.02 -0.14 -0.04 1.41 1.49 1nr7L1 LYS 269 H 0.02 0.41 0.23 -0.55 8.42 8.52 1nr7L1 LYS 269 HA -0.17 0.15 1.09 -0.75 4.32 4.63 1nr7L1 LYS 269 HB2 -0.11 0.13 0.23 -0.04 1.87 2.09 1nr7L1 LYS 269 HB3 -0.18 -0.02 -0.02 -0.04 1.79 1.53 1nr7L1 LYS 269 HG2 -0.16 0.13 -0.06 -0.04 1.46 1.33 1nr7L1 LYS 269 HG3 -0.11 -0.00 -0.03 -0.04 1.46 1.28 1nr7L1 LYS 269 HD2 -0.12 -0.04 -0.00 -0.04 1.69 1.49 1nr7L1 LYS 269 HD3 -0.16 -0.05 0.16 -0.04 1.68 1.58 1nr7L1 LYS 269 HE2 -0.10 0.02 -0.01 -0.04 2.99 2.86 1nr7L1 LYS 269 HE3 -0.06 0.06 -0.04 -0.04 2.99 2.91 1nr7L1 CYS 270 H -0.24 0.19 0.17 -0.55 8.50 8.08 1nr7L1 CYS 270 HA -1.57 0.07 0.50 -0.75 4.58 2.83 1nr7L1 CYS 270 HB2 -0.45 -0.02 0.05 -0.04 2.97 2.50 1nr7L1 CYS 270 HB3 -0.22 0.08 0.16 -0.04 2.97 2.95 1nr7L1 ILE 271 H -0.52 0.50 0.41 -0.55 8.25 8.09 1nr7L1 ILE 271 HA -0.42 0.27 0.89 -0.75 4.18 4.17 1nr7L1 ILE 271 HB -0.39 0.06 0.01 -0.04 1.89 1.53 1nr7L1 ILE 271 HG12 -1.19 -0.13 -0.14 -0.04 1.49 -0.01 1nr7L1 ILE 271 HG13 -0.79 -0.05 -0.20 -0.04 1.21 0.12 1nr7L1 ILE 271 HG23 -0.33 0.14 -0.00 -0.04 0.93 0.69 1nr7L1 ILE 271 HD13 -0.72 0.07 0.02 -0.04 0.88 0.21 1nr7L1 ALA 272 H -0.31 0.18 0.30 -0.55 8.40 8.02 1nr7L1 ALA 272 HA -0.16 0.28 0.77 -0.75 4.34 4.49 1nr7L1 ALA 272 HB3 -0.11 -0.01 0.03 -0.04 1.41 1.27 1nr7L1 VAL 273 H -0.05 0.39 0.17 -0.55 8.24 8.20 1nr7L1 VAL 273 HA -0.05 0.24 0.92 -0.75 4.13 4.49 1nr7L1 VAL 273 HB -0.23 0.01 0.04 -0.04 2.12 1.90 1nr7L1 VAL 273 HG13 -0.44 0.04 -0.17 -0.04 0.97 0.36 1nr7L1 VAL 273 HG23 -0.21 -0.02 -0.29 -0.04 0.95 0.38 1nr7L1 GLY 274 H 0.03 0.36 0.26 -0.55 8.43 8.54 1nr7L1 GLY 274 HA2 0.09 0.14 0.66 -0.51 4.01 4.39 1nr7L1 GLY 274 HA3 0.08 -0.10 0.54 -0.51 4.01 4.02 1nr7L1 GLU 275 H 0.09 0.42 0.32 -0.55 8.60 8.88 1nr7L1 GLU 275 HA 0.11 -0.10 0.38 -0.75 4.29 3.93 1nr7L1 GLU 275 HB2 0.10 0.17 -0.52 -0.04 2.09 1.80 1nr7L1 GLU 275 HB3 0.10 -0.36 0.12 -0.04 1.99 1.80 1nr7L1 GLU 275 HG2 0.17 0.16 0.28 -0.04 2.34 2.91 1nr7L1 GLU 275 HG3 0.15 -0.02 0.10 -0.04 2.34 2.53 1nr7L1 SER 276 H 0.08 0.16 0.17 -0.55 8.46 8.33 1nr7L1 SER 276 HA 0.06 0.17 0.64 -0.75 4.49 4.62 1nr7L1 SER 276 HB2 0.05 0.08 0.14 -0.04 3.95 4.18 1nr7L1 SER 276 HB3 0.06 -0.04 0.10 -0.04 3.93 4.01 1nr7L1 ASP 277 H 0.08 -0.13 -0.21 -0.55 8.40 7.58 1nr7L1 ASP 277 HA 0.05 0.26 0.92 -0.75 4.63 5.11 1nr7L1 ASP 277 HB2 0.08 -0.14 0.13 -0.04 2.71 2.74 1nr7L1 ASP 277 HB3 0.07 0.06 -0.01 -0.04 2.70 2.78 1nr7L1 GLY 278 H 0.09 -0.05 -0.08 -0.55 8.43 7.84 1nr7L1 GLY 278 HA2 0.07 0.20 0.66 -0.51 4.01 4.42 1nr7L1 GLY 278 HA3 0.08 0.02 0.35 -0.51 4.01 3.95 1nr7L1 SER 279 H 0.12 0.26 0.19 -0.55 8.46 8.48 1nr7L1 SER 279 HA 0.11 0.08 0.65 -0.75 4.49 4.59 1nr7L1 SER 279 HB2 0.26 0.28 -0.13 -0.04 3.95 4.32 1nr7L1 SER 279 HB3 0.25 -0.16 0.05 -0.04 3.93 4.02 1nr7L1 ILE 280 H 0.14 0.21 0.14 -0.55 8.25 8.19 1nr7L1 ILE 280 HA 0.18 0.06 0.56 -0.75 4.18 4.22 1nr7L1 ILE 280 HB -0.00 0.01 0.04 -0.04 1.89 1.89 1nr7L1 ILE 280 HG12 0.16 -0.01 0.08 -0.04 1.49 1.68 1nr7L1 ILE 280 HG13 0.10 0.04 -0.45 -0.04 1.21 0.85 1nr7L1 ILE 280 HG23 0.08 0.00 -0.22 -0.04 0.93 0.75 1nr7L1 ILE 280 HD13 0.01 0.08 -0.05 -0.04 0.88 0.88 1nr7L1 TRP 281 H 0.25 0.31 0.17 -0.55 7.97 8.15 1nr7L1 TRP 281 HA -0.14 0.32 0.98 -0.75 4.62 5.02 1nr7L1 TRP 281 HB2 -0.36 -0.04 -0.04 -0.04 3.23 2.75 1nr7L1 TRP 281 HB3 0.05 0.14 0.09 -0.04 3.23 3.47 1nr7L1 TRP 281 HD1 0.00 -0.06 -0.27 -0.04 7.22 6.84 1nr7L1 TRP 281 HE1 -0.01 -0.01 0.00 -0.04 10.20 10.15 1nr7L1 TRP 281 HE3 -0.79 -0.03 0.00 -0.04 7.59 6.73 1nr7L1 TRP 281 HZ2 -0.02 0.01 0.02 -0.04 7.44 7.41 1nr7L1 TRP 281 HZ3 -0.21 -0.12 0.04 -0.04 7.13 6.80 1nr7L1 TRP 281 HH2 -0.04 0.01 0.04 -0.04 7.19 7.16 1nr7L1 ASN 282 H -0.93 0.41 0.15 -0.55 8.53 7.61 1nr7L1 ASN 282 HA -0.16 0.01 0.48 -0.75 4.76 4.34 1nr7L1 ASN 282 HB2 -0.02 0.12 0.16 -0.04 2.88 3.10 1nr7L1 ASN 282 HB3 -0.13 0.08 0.06 -0.04 2.79 2.76 1nr7L1 ASN 282 HD21 -0.04 -0.13 -0.04 -0.04 7.03 6.78 1nr7L1 ASN 282 HD22 -0.02 -0.01 -0.24 -0.04 7.74 7.42 1nr7L1 PRO 283 HA -0.46 0.10 0.46 -0.51 4.44 4.03 1nr7L1 PRO 283 HB2 -0.06 0.02 0.03 -0.04 2.28 2.24 1nr7L1 PRO 283 HB3 -0.14 0.06 0.15 -0.04 2.02 2.05 1nr7L1 PRO 283 HG2 0.29 0.04 0.08 -0.04 2.03 2.39 1nr7L1 PRO 283 HG3 -0.59 0.05 0.10 -0.04 2.03 1.55 1nr7L1 PRO 283 HD2 0.02 0.12 0.17 -0.04 3.68 3.94 1nr7L1 PRO 283 HD3 -0.81 0.07 0.15 -0.04 3.65 3.03 1nr7L1 ASP 284 H -0.15 0.04 -0.65 -0.55 8.40 7.10 1nr7L1 ASP 284 HA -0.08 0.19 0.82 -0.75 4.63 4.80 1nr7L1 ASP 284 HB2 -0.05 -0.08 0.03 -0.04 2.71 2.57 1nr7L1 ASP 284 HB3 -0.05 0.04 0.07 -0.04 2.70 2.73 1nr7L1 GLY 285 H -0.20 0.37 -0.14 -0.55 8.43 7.91 1nr7L1 GLY 285 HA2 -0.16 0.23 0.36 -0.51 4.01 3.93 1nr7L1 GLY 285 HA3 -0.07 0.06 0.64 -0.51 4.01 4.13 1nr7L1 ILE 286 H -0.04 0.21 0.19 -0.55 8.25 8.06 1nr7L1 ILE 286 HA 0.05 0.16 0.70 -0.75 4.18 4.34 1nr7L1 ILE 286 HB -0.12 -0.10 -0.10 -0.04 1.89 1.53 1nr7L1 ILE 286 HG12 0.03 0.17 -0.14 -0.04 1.49 1.51 1nr7L1 ILE 286 HG13 -0.13 0.08 -0.74 -0.04 1.21 0.38 1nr7L1 ILE 286 HG23 -0.09 -0.01 -0.21 -0.04 0.93 0.58 1nr7L1 ILE 286 HD13 -0.13 -0.05 -0.45 -0.04 0.88 0.21 1nr7L1 ASP 287 H 0.07 0.19 0.09 -0.55 8.40 8.21 1nr7L1 ASP 287 HA -0.09 0.25 0.76 -0.75 4.63 4.80 1nr7L1 ASP 287 HB2 0.02 0.12 0.08 -0.04 2.71 2.89 1nr7L1 ASP 287 HB3 0.02 -0.11 0.13 -0.04 2.70 2.69 1nr7L1 PRO 288 HA -0.02 0.08 0.33 -0.51 4.44 4.32 1nr7L1 PRO 288 HB2 -0.14 -0.04 0.12 -0.04 2.28 2.17 1nr7L1 PRO 288 HB3 -0.05 0.01 0.05 -0.04 2.02 1.99 1nr7L1 PRO 288 HG2 -0.15 0.12 0.04 -0.04 2.03 1.99 1nr7L1 PRO 288 HG3 0.04 0.06 -0.02 -0.04 2.03 2.06 1nr7L1 PRO 288 HD2 -0.49 0.08 0.21 -0.04 3.68 3.43 1nr7L1 PRO 288 HD3 -0.24 0.38 0.36 -0.04 3.65 4.11 1nr7L1 LYS 289 H -0.10 0.17 -0.08 -0.55 8.42 7.86 1nr7L1 LYS 289 HA -0.04 0.04 0.36 -0.75 4.32 3.93 1nr7L1 LYS 289 HB2 -0.07 0.03 0.08 -0.04 1.87 1.87 1nr7L1 LYS 289 HB3 -0.05 -0.02 0.07 -0.04 1.79 1.75 1nr7L1 LYS 289 HG2 -0.00 0.04 -0.24 -0.04 1.46 1.21 1nr7L1 LYS 289 HG3 -0.02 -0.03 -0.02 -0.04 1.46 1.35 1nr7L1 LYS 289 HD2 -0.03 0.01 -0.01 -0.04 1.69 1.62 1nr7L1 LYS 289 HD3 -0.01 0.03 -0.04 -0.04 1.68 1.62 1nr7L1 LYS 289 HE2 -0.04 -0.03 -0.00 -0.04 2.99 2.87 1nr7L1 LYS 289 HE3 -0.03 0.03 -0.01 -0.04 2.99 2.94 1nr7L1 GLU 290 H -0.00 0.07 -0.27 -0.55 8.60 7.85 1nr7L1 GLU 290 HA 0.09 0.04 0.31 -0.75 4.29 3.97 1nr7L1 GLU 290 HB2 0.11 0.12 0.17 -0.04 2.09 2.45 1nr7L1 GLU 290 HB3 0.30 0.09 -0.01 -0.04 1.99 2.32 1nr7L1 GLU 290 HG2 0.07 0.01 0.02 -0.04 2.34 2.41 1nr7L1 GLU 290 HG3 0.04 -0.10 0.04 -0.04 2.34 2.28 1nr7L1 LEU 291 H -0.10 0.49 -0.04 -0.55 8.37 8.17 1nr7L1 LEU 291 HA -0.47 0.07 0.32 -0.75 4.35 3.51 1nr7L1 LEU 291 HB2 -0.59 0.02 0.01 -0.04 1.64 1.04 1nr7L1 LEU 291 HB3 -0.15 0.04 0.02 -0.04 1.64 1.52 1nr7L1 LEU 291 HG -0.01 -0.03 -0.22 -0.04 1.64 1.34 1nr7L1 LEU 291 HD13 -0.54 0.00 0.01 -0.04 0.93 0.35 1nr7L1 LEU 291 HD23 -0.74 -0.01 -0.12 -0.04 0.89 -0.02 1nr7L1 GLU 292 H 0.06 0.68 -0.25 -0.55 8.60 8.54 1nr7L1 GLU 292 HA 0.08 -0.01 0.42 -0.75 4.29 4.02 1nr7L1 GLU 292 HB2 0.02 0.03 0.06 -0.04 2.09 2.17 1nr7L1 GLU 292 HB3 -0.01 0.06 0.19 -0.04 1.99 2.18 1nr7L1 GLU 292 HG2 -0.09 -0.00 -0.17 -0.04 2.34 2.04 1nr7L1 GLU 292 HG3 -0.17 -0.05 -0.02 -0.04 2.34 2.06 1nr7L1 ASP 293 H 0.03 0.85 0.13 -0.55 8.40 8.87 1nr7L1 ASP 293 HA -0.02 -0.06 0.42 -0.75 4.63 4.22 1nr7L1 ASP 293 HB2 0.07 0.17 0.18 -0.04 2.71 3.08 1nr7L1 ASP 293 HB3 0.03 -0.05 0.03 -0.04 2.70 2.67 1nr7L1 PHE 294 H 0.19 0.58 -0.29 -0.55 8.34 8.27 1nr7L1 PHE 294 HA -0.12 -0.03 0.44 -0.75 4.62 4.16 1nr7L1 PHE 294 HB2 0.18 -0.06 0.02 -0.04 3.15 3.25 1nr7L1 PHE 294 HB3 -0.02 0.12 0.14 -0.04 3.06 3.25 1nr7L1 PHE 294 HD2 0.12 -0.08 -0.01 -0.04 7.28 7.27 1nr7L1 PHE 294 HE2 0.28 -0.05 -0.31 -0.04 7.38 7.26 1nr7L1 PHE 294 HZ 0.23 0.15 -0.46 -0.04 7.32 7.20 1nr7L1 LYS 295 H 0.08 0.44 -0.10 -0.55 8.42 8.29 1nr7L1 LYS 295 HA -0.16 0.45 0.53 -0.75 4.32 4.39 1nr7L1 LYS 295 HB2 0.21 -0.08 -0.00 -0.04 1.87 1.97 1nr7L1 LYS 295 HB3 0.01 0.01 0.15 -0.04 1.79 1.93 1nr7L1 LYS 295 HG2 -0.09 -0.06 -0.15 -0.04 1.46 1.12 1nr7L1 LYS 295 HG3 -0.01 0.16 0.09 -0.04 1.46 1.66 1nr7L1 LYS 295 HD2 0.21 -0.16 -0.03 -0.04 1.69 1.67 1nr7L1 LYS 295 HD3 -0.11 0.00 -0.01 -0.04 1.68 1.53 1nr7L1 LYS 295 HE2 -0.04 -0.05 0.04 -0.04 2.99 2.90 1nr7L1 LYS 295 HE3 -0.21 -0.01 0.01 -0.04 2.99 2.74 1nr7L1 LEU 296 H -0.08 0.47 -0.09 -0.55 8.37 8.11 1nr7L1 LEU 296 HA -0.08 0.02 0.51 -0.75 4.35 4.04 1nr7L1 LEU 296 HB2 -0.07 0.05 0.13 -0.04 1.64 1.71 1nr7L1 LEU 296 HB3 -0.06 -0.05 -0.05 -0.04 1.64 1.43 1nr7L1 LEU 296 HG -0.06 -0.09 -0.05 -0.04 1.64 1.39 1nr7L1 LEU 296 HD13 -0.06 -0.02 0.00 -0.04 0.93 0.81 1nr7L1 LEU 296 HD23 -0.11 0.03 -0.08 -0.04 0.89 0.69 1nr7L1 GLN 297 H -0.19 0.73 -0.01 -0.55 8.47 8.45 1nr7L1 GLN 297 HA -0.09 -0.08 0.43 -0.75 4.36 3.86 1nr7L1 GLN 297 HB2 -0.53 0.13 0.21 -0.04 2.15 1.92 1nr7L1 GLN 297 HB3 -0.28 -0.09 -0.01 -0.04 2.02 1.60 1nr7L1 GLN 297 HG2 -0.04 -0.11 0.05 -0.04 2.40 2.26 1nr7L1 GLN 297 HG3 -0.07 0.02 0.12 -0.04 2.39 2.42 1nr7L1 GLN 297 HE21 0.13 -0.06 -0.05 -0.04 6.97 6.96 1nr7L1 GLN 297 HE22 0.00 0.01 -0.02 -0.04 7.69 7.65 1nr7L1 HIS 298 H -0.55 0.50 -0.25 -0.55 8.41 7.56 1nr7L1 HIS 298 HA -0.08 -0.00 0.51 -0.75 4.63 4.31 1nr7L1 HIS 298 HB2 -0.08 -0.10 -0.04 -0.04 3.26 3.01 1nr7L1 HIS 298 HB3 -0.06 0.07 -0.05 -0.04 3.20 3.12 1nr7L1 HIS 298 HD2 -0.42 0.03 -0.06 -0.04 6.97 6.48 1nr7L1 HIS 298 HE1 0.10 -0.06 -0.01 -0.04 7.75 7.73 1nr7L1 GLY 299 H 0.02 0.03 0.11 -0.55 8.43 8.05 1nr7L1 GLY 299 HA2 0.01 -0.07 0.35 -0.51 4.01 3.79 1nr7L1 GLY 299 HA3 0.01 -0.09 0.38 -0.51 4.01 3.81 1nr7L1 SER 300 H 0.03 -0.02 0.15 -0.55 8.46 8.07 1nr7L1 SER 300 HA 0.05 0.19 0.73 -0.75 4.49 4.70 1nr7L1 SER 300 HB2 0.06 0.02 0.12 -0.04 3.95 4.11 1nr7L1 SER 300 HB3 0.09 -0.02 0.20 -0.04 3.93 4.16 1nr7L1 ILE 301 H 0.16 -0.06 0.17 -0.55 8.25 7.98 1nr7L1 ILE 301 HA 0.45 0.31 0.70 -0.75 4.18 4.89 1nr7L1 ILE 301 HB 0.08 0.04 0.05 -0.04 1.89 2.03 1nr7L1 ILE 301 HG12 0.14 -0.23 0.01 -0.04 1.49 1.38 1nr7L1 ILE 301 HG13 0.15 0.05 -0.42 -0.04 1.21 0.94 1nr7L1 ILE 301 HG23 0.26 -0.00 -0.04 -0.04 0.93 1.11 1nr7L1 ILE 301 HD13 0.03 -0.02 -0.15 -0.04 0.88 0.70 1nr7L1 LEU 302 H 0.20 -0.17 -0.01 -0.55 8.37 7.85 1nr7L1 LEU 302 HA 0.21 0.07 0.41 -0.75 4.35 4.29 1nr7L1 LEU 302 HB2 0.15 -0.00 0.01 -0.04 1.64 1.76 1nr7L1 LEU 302 HB3 0.14 0.05 0.02 -0.04 1.64 1.81 1nr7L1 LEU 302 HG 0.12 0.03 0.03 -0.04 1.64 1.77 1nr7L1 LEU 302 HD13 0.11 -0.07 0.07 -0.04 0.93 1.00 1nr7L1 LEU 302 HD23 0.08 0.02 -0.03 -0.04 0.89 0.91 1nr7L1 GLY 303 H 0.18 0.08 0.17 -0.55 8.43 8.31 1nr7L1 GLY 303 HA2 0.13 -0.00 0.31 -0.51 4.01 3.94 1nr7L1 GLY 303 HA3 0.23 0.03 0.37 -0.51 4.01 4.14 1nr7L1 PHE 304 H 0.16 0.05 -0.10 -0.55 8.34 7.90 1nr7L1 PHE 304 HA -1.27 0.17 0.70 -0.75 4.62 3.48 1nr7L1 PHE 304 HB2 -0.77 0.13 0.00 -0.04 3.15 2.47 1nr7L1 PHE 304 HB3 -0.20 -0.10 0.12 -0.04 3.06 2.84 1nr7L1 PHE 304 HD2 -0.70 -0.05 -0.08 -0.04 7.28 6.40 1nr7L1 PHE 304 HE2 -0.13 -0.06 -0.15 -0.04 7.38 7.00 1nr7L1 PHE 304 HZ -0.10 -0.17 -0.03 -0.04 7.32 6.98 1nr7L1 PRO 305 HA -0.30 -0.00 0.40 -0.51 4.44 4.03 1nr7L1 PRO 305 HB2 -0.38 0.00 0.00 -0.04 2.28 1.86 1nr7L1 PRO 305 HB3 -0.21 -0.03 0.11 -0.04 2.02 1.85 1nr7L1 PRO 305 HG2 -0.09 0.01 0.08 -0.04 2.03 1.99 1nr7L1 PRO 305 HG3 -0.11 0.03 0.07 -0.04 2.03 1.98 1nr7L1 PRO 305 HD2 -0.51 0.05 0.19 -0.04 3.68 3.37 1nr7L1 PRO 305 HD3 -0.23 0.48 0.36 -0.04 3.65 4.22 1nr7L1 LYS 306 H -0.24 0.08 0.17 -0.55 8.42 7.88 1nr7L1 LYS 306 HA -0.16 -0.03 0.33 -0.75 4.32 3.72 1nr7L1 LYS 306 HB2 -0.26 -0.10 -0.19 -0.04 1.87 1.28 1nr7L1 LYS 306 HB3 -0.46 0.24 0.14 -0.04 1.79 1.67 1nr7L1 LYS 306 HG2 -0.07 0.10 0.20 -0.04 1.46 1.65 1nr7L1 LYS 306 HG3 -0.09 -0.04 0.08 -0.04 1.46 1.38 1nr7L1 LYS 306 HD2 -0.07 -0.04 -0.01 -0.04 1.69 1.52 1nr7L1 LYS 306 HD3 -0.02 -0.06 0.02 -0.04 1.68 1.58 1nr7L1 LYS 306 HE2 -0.01 0.12 -0.04 -0.04 2.99 3.02 1nr7L1 LYS 306 HE3 -0.03 -0.00 -0.00 -0.04 2.99 2.91 1nr7L1 ALA 307 H -0.18 0.13 -0.11 -0.55 8.40 7.70 1nr7L1 ALA 307 HA 0.04 0.16 0.63 -0.75 4.34 4.42 1nr7L1 ALA 307 HB3 0.19 0.05 -0.10 -0.04 1.41 1.50 1nr7L1 LYS 308 H 0.18 0.63 0.30 -0.55 8.42 8.98 1nr7L1 LYS 308 HA 0.08 0.16 0.79 -0.75 4.32 4.60 1nr7L1 LYS 308 HB2 0.14 -0.02 0.06 -0.04 1.87 2.01 1nr7L1 LYS 308 HB3 0.24 -0.03 0.13 -0.04 1.79 2.09 1nr7L1 LYS 308 HG2 0.05 -0.03 -0.08 -0.04 1.46 1.36 1nr7L1 LYS 308 HG3 0.06 0.08 -0.12 -0.04 1.46 1.45 1nr7L1 LYS 308 HD2 0.04 0.02 0.01 -0.04 1.69 1.72 1nr7L1 LYS 308 HD3 0.06 -0.02 -0.02 -0.04 1.68 1.66 1nr7L1 LYS 308 HE2 0.01 -0.01 -0.03 -0.04 2.99 2.92 1nr7L1 LYS 308 HE3 0.01 0.01 -0.02 -0.04 2.99 2.96 1nr7L1 PRO 309 HA 0.15 0.05 0.37 -0.51 4.44 4.50 1nr7L1 PRO 309 HB2 0.06 0.00 0.15 -0.04 2.28 2.46 1nr7L1 PRO 309 HB3 0.09 -0.01 0.09 -0.04 2.02 2.15 1nr7L1 PRO 309 HG2 0.07 0.01 0.12 -0.04 2.03 2.19 1nr7L1 PRO 309 HG3 0.10 -0.02 0.14 -0.04 2.03 2.21 1nr7L1 PRO 309 HD2 0.06 0.06 0.22 -0.04 3.68 3.98 1nr7L1 PRO 309 HD3 0.06 0.41 0.34 -0.04 3.65 4.42 1nr7L1 TYR 310 H 0.27 0.02 -0.03 -0.55 8.29 8.00 1nr7L1 TYR 310 HA -0.03 0.09 0.46 -0.75 4.56 4.32 1nr7L1 TYR 310 HB2 0.21 0.04 -0.14 -0.04 3.06 3.12 1nr7L1 TYR 310 HB3 0.11 -0.13 -0.15 -0.04 2.98 2.76 1nr7L1 TYR 310 HD2 -0.13 -0.02 -0.21 -0.04 7.15 6.75 1nr7L1 TYR 310 HE2 -0.34 -0.00 -0.10 -0.04 6.85 6.36 1nr7L1 GLU 311 H -0.45 0.16 0.11 -0.55 8.60 7.87 1nr7L1 GLU 311 HA -0.05 0.10 0.76 -0.75 4.29 4.35 1nr7L1 GLU 311 HB2 -0.11 0.05 0.01 -0.04 2.09 2.00 1nr7L1 GLU 311 HB3 -0.21 -0.00 0.06 -0.04 1.99 1.79 1nr7L1 GLU 311 HG2 -0.08 0.00 -0.04 -0.04 2.34 2.18 1nr7L1 GLU 311 HG3 -0.07 -0.03 -0.06 -0.04 2.34 2.14 1nr7L1 GLY 312 H -0.02 0.10 0.08 -0.55 8.43 8.04 1nr7L1 GLY 312 HA2 0.00 0.01 0.29 -0.51 4.01 3.81 1nr7L1 GLY 312 HA3 -0.05 0.16 0.53 -0.51 4.01 4.14 1nr7L1 SER 313 H 0.05 0.13 0.12 -0.55 8.46 8.22 1nr7L1 SER 313 HA 0.12 0.10 0.58 -0.75 4.49 4.53 1nr7L1 SER 313 HB2 0.09 -0.10 0.05 -0.04 3.95 3.95 1nr7L1 SER 313 HB3 0.07 0.07 0.09 -0.04 3.93 4.12 1nr7L1 ILE 314 H 0.15 0.11 0.13 -0.55 8.25 8.08 1nr7L1 ILE 314 HA 0.26 0.14 0.33 -0.75 4.18 4.15 1nr7L1 ILE 314 HB 0.05 0.08 -0.03 -0.04 1.89 1.95 1nr7L1 ILE 314 HG12 0.08 0.09 -0.51 -0.04 1.49 1.11 1nr7L1 ILE 314 HG13 0.06 0.11 -0.34 -0.04 1.21 1.00 1nr7L1 ILE 314 HG23 0.11 0.01 -0.07 -0.04 0.93 0.94 1nr7L1 ILE 314 HD13 0.09 -0.09 0.10 -0.04 0.88 0.95 1nr7L1 LEU 315 H 0.12 -0.05 -0.64 -0.55 8.37 7.25 1nr7L1 LEU 315 HA 0.09 0.02 0.17 -0.75 4.35 3.88 1nr7L1 LEU 315 HB2 0.10 -0.02 -0.07 -0.04 1.64 1.62 1nr7L1 LEU 315 HB3 0.11 0.13 -0.12 -0.04 1.64 1.71 1nr7L1 LEU 315 HG 0.09 -0.00 -0.11 -0.04 1.64 1.58 1nr7L1 LEU 315 HD13 0.09 -0.05 -0.07 -0.04 0.93 0.85 1nr7L1 LEU 315 HD23 0.10 -0.01 -0.17 -0.04 0.89 0.77 1nr7L1 GLU 316 H 0.16 0.11 -0.47 -0.55 8.60 7.86 1nr7L1 GLU 316 HA 0.12 0.27 0.68 -0.75 4.29 4.60 1nr7L1 GLU 316 HB2 0.12 0.00 -0.03 -0.04 2.09 2.14 1nr7L1 GLU 316 HB3 0.10 0.01 0.05 -0.04 1.99 2.11 1nr7L1 GLU 316 HG2 0.21 0.17 0.07 -0.04 2.34 2.74 1nr7L1 GLU 316 HG3 0.31 -0.05 -0.08 -0.04 2.34 2.48 1nr7L1 ALA 317 H 0.20 -0.01 -0.16 -0.55 8.40 7.89 1nr7L1 ALA 317 HA 0.29 -0.09 0.29 -0.75 4.34 4.08 1nr7L1 ALA 317 HB3 0.08 0.01 -0.00 -0.04 1.41 1.45 1nr7L1 ASP 318 H 0.33 -0.00 0.13 -0.55 8.40 8.30 1nr7L1 ASP 318 HA 0.10 0.10 0.46 -0.75 4.63 4.54 1nr7L1 ASP 318 HB2 0.16 -0.01 0.13 -0.04 2.71 2.95 1nr7L1 ASP 318 HB3 0.19 -0.08 0.11 -0.04 2.70 2.89 1nr7L1 CYS 319 H 0.05 0.39 0.11 -0.55 8.50 8.49 1nr7L1 CYS 319 HA -0.03 0.03 0.34 -0.75 4.58 4.16 1nr7L1 CYS 319 HB2 -0.03 0.06 -0.05 -0.04 2.97 2.92 1nr7L1 CYS 319 HB3 -0.07 0.11 -0.30 -0.04 2.97 2.67 1nr7L1 ASP 320 H 0.01 0.87 0.40 -0.55 8.40 9.13 1nr7L1 ASP 320 HA 0.03 0.20 0.83 -0.75 4.63 4.93 1nr7L1 ASP 320 HB2 0.04 -0.17 0.30 -0.04 2.71 2.84 1nr7L1 ASP 320 HB3 0.03 0.02 0.13 -0.04 2.70 2.83 1nr7L1 ILE 321 H 0.07 0.22 0.21 -0.55 8.25 8.20 1nr7L1 ILE 321 HA 0.02 0.35 1.14 -0.75 4.18 4.93 1nr7L1 ILE 321 HB 0.02 -0.02 -0.07 -0.04 1.89 1.78 1nr7L1 ILE 321 HG12 0.10 -0.03 0.01 -0.04 1.49 1.52 1nr7L1 ILE 321 HG13 0.23 -0.14 0.08 -0.04 1.21 1.34 1nr7L1 ILE 321 HG23 -0.01 0.01 -0.07 -0.04 0.93 0.81 1nr7L1 ILE 321 HD13 -0.01 0.01 -0.08 -0.04 0.88 0.77 1nr7L1 LEU 322 H 0.00 0.77 0.42 -0.55 8.37 9.02 1nr7L1 LEU 322 HA 0.07 0.17 0.94 -0.75 4.35 4.77 1nr7L1 LEU 322 HB2 0.03 0.06 -0.04 -0.04 1.64 1.65 1nr7L1 LEU 322 HB3 -0.00 -0.06 0.15 -0.04 1.64 1.68 1nr7L1 LEU 322 HG 0.06 0.10 -0.05 -0.04 1.64 1.70 1nr7L1 LEU 322 HD13 0.05 -0.04 -0.31 -0.04 0.93 0.59 1nr7L1 LEU 322 HD23 0.06 0.03 -0.19 -0.04 0.89 0.75 1nr7L1 ILE 323 H 0.09 0.90 0.35 -0.55 8.25 9.04 1nr7L1 ILE 323 HA 0.01 0.26 1.20 -0.75 4.18 4.90 1nr7L1 ILE 323 HB 0.02 0.02 0.03 -0.04 1.89 1.92 1nr7L1 ILE 323 HG12 0.14 0.27 0.07 -0.04 1.49 1.92 1nr7L1 ILE 323 HG13 0.09 -0.21 0.27 -0.04 1.21 1.33 1nr7L1 ILE 323 HG23 -0.02 -0.01 -0.16 -0.04 0.93 0.70 1nr7L1 ILE 323 HD13 -0.04 -0.00 -0.12 -0.04 0.88 0.68 1nr7L1 PRO 324 HA 0.06 -0.01 0.51 -0.51 4.44 4.49 1nr7L1 PRO 324 HB2 0.03 -0.04 0.18 -0.04 2.28 2.40 1nr7L1 PRO 324 HB3 0.05 0.02 0.04 -0.04 2.02 2.08 1nr7L1 PRO 324 HG2 -0.01 0.04 -0.06 -0.04 2.03 1.96 1nr7L1 PRO 324 HG3 0.03 0.04 -0.12 -0.04 2.03 1.94 1nr7L1 PRO 324 HD2 -0.01 0.10 -0.12 -0.04 3.68 3.61 1nr7L1 PRO 324 HD3 -0.00 0.50 -0.04 -0.04 3.65 4.07 1nr7L1 ALA 325 H 0.07 0.37 0.31 -0.55 8.40 8.61 1nr7L1 ALA 325 HA 0.05 0.20 0.66 -0.75 4.34 4.49 1nr7L1 ALA 325 HB3 0.08 -0.01 0.06 -0.04 1.41 1.49 1nr7L1 ALA 326 H 0.06 0.25 -0.34 -0.55 8.40 7.82 1nr7L1 ALA 326 HA 0.06 0.04 0.54 -0.75 4.34 4.23 1nr7L1 ALA 326 HB3 0.07 -0.02 -0.02 -0.04 1.41 1.40 1nr7L1 SER 327 H 0.06 0.04 0.03 -0.55 8.46 8.05 1nr7L1 SER 327 HA 0.06 0.01 0.26 -0.75 4.49 4.07 1nr7L1 SER 327 HB2 0.06 -0.02 -0.02 -0.04 3.95 3.93 1nr7L1 SER 327 HB3 0.06 0.10 0.06 -0.04 3.93 4.11 1nr7L1 GLU 328 H 0.07 0.09 0.11 -0.55 8.60 8.32 1nr7L1 GLU 328 HA 0.07 0.26 0.75 -0.75 4.29 4.63 1nr7L1 GLU 328 HB2 0.09 -0.06 -0.01 -0.04 2.09 2.08 1nr7L1 GLU 328 HB3 0.09 -0.04 0.05 -0.04 1.99 2.05 1nr7L1 GLU 328 HG2 0.10 0.03 -0.14 -0.04 2.34 2.30 1nr7L1 GLU 328 HG3 0.10 0.22 0.06 -0.04 2.34 2.68 1nr7L1 LYS 329 H 0.08 0.58 0.37 -0.55 8.42 8.90 1nr7L1 LYS 329 HA 0.08 -0.09 0.12 -0.75 4.32 3.68 1nr7L1 LYS 329 HB2 0.06 0.15 -0.24 -0.04 1.87 1.80 1nr7L1 LYS 329 HB3 0.05 -0.03 0.10 -0.04 1.79 1.87 1nr7L1 LYS 329 HG2 0.07 -0.11 -0.09 -0.04 1.46 1.29 1nr7L1 LYS 329 HG3 0.07 0.03 -0.11 -0.04 1.46 1.41 1nr7L1 LYS 329 HD2 0.02 -0.03 -0.05 -0.04 1.69 1.59 1nr7L1 LYS 329 HD3 0.02 -0.03 -0.12 -0.04 1.68 1.51 1nr7L1 LYS 329 HE2 -0.01 0.37 -0.11 -0.04 2.99 3.20 1nr7L1 LYS 329 HE3 0.03 -0.09 -0.18 -0.04 2.99 2.71 1nr7L1 GLN 330 H 0.07 0.20 -0.05 -0.55 8.47 8.15 1nr7L1 GLN 330 HA 0.06 0.20 0.69 -0.75 4.36 4.56 1nr7L1 GLN 330 HB2 0.07 0.02 -0.09 -0.04 2.15 2.11 1nr7L1 GLN 330 HB3 0.07 0.03 -0.12 -0.04 2.02 1.96 1nr7L1 GLN 330 HG2 0.07 -0.08 -0.11 -0.04 2.40 2.24 1nr7L1 GLN 330 HG3 0.07 -0.01 -0.00 -0.04 2.39 2.40 1nr7L1 GLN 330 HE21 0.06 0.01 -0.12 -0.04 6.97 6.88 1nr7L1 GLN 330 HE22 0.06 0.00 -0.02 -0.04 7.69 7.69 1nr7L1 LEU 331 H 0.10 0.29 0.06 -0.55 8.37 8.27 1nr7L1 LEU 331 HA 0.13 0.17 0.83 -0.75 4.35 4.72 1nr7L1 LEU 331 HB2 0.17 -0.02 0.30 -0.04 1.64 2.05 1nr7L1 LEU 331 HB3 0.36 0.05 -0.02 -0.04 1.64 1.98 1nr7L1 LEU 331 HG 0.11 -0.07 -0.13 -0.04 1.64 1.50 1nr7L1 LEU 331 HD13 -0.02 0.02 -0.08 -0.04 0.93 0.81 1nr7L1 LEU 331 HD23 0.26 0.04 -0.12 -0.04 0.89 1.02 1nr7L1 THR 332 H 0.07 0.17 0.06 -0.55 8.28 8.03 1nr7L1 THR 332 HA 0.05 0.11 0.90 -0.75 4.39 4.71 1nr7L1 THR 332 HB 0.02 -0.10 0.17 -0.04 4.32 4.36 1nr7L1 THR 332 HG23 0.04 0.05 -0.23 -0.04 1.22 1.04 1nr7L1 LYS 333 H -0.00 0.18 0.11 -0.55 8.42 8.15 1nr7L1 LYS 333 HA -0.07 0.14 0.26 -0.75 4.32 3.90 1nr7L1 LYS 333 HB2 -0.02 -0.11 0.06 -0.04 1.87 1.76 1nr7L1 LYS 333 HB3 -0.02 0.05 -0.01 -0.04 1.79 1.76 1nr7L1 LYS 333 HG2 -0.05 0.09 0.08 -0.04 1.46 1.54 1nr7L1 LYS 333 HG3 -0.04 0.00 -0.03 -0.04 1.46 1.34 1nr7L1 LYS 333 HD2 -0.03 0.02 -0.07 -0.04 1.69 1.58 1nr7L1 LYS 333 HD3 -0.03 0.06 -0.02 -0.04 1.68 1.65 1nr7L1 LYS 333 HE2 -0.02 0.04 -0.02 -0.04 2.99 2.95 1nr7L1 LYS 333 HE3 -0.03 -0.04 -0.00 -0.04 2.99 2.88 1nr7L1 SER 334 H -0.01 -0.08 -0.41 -0.55 8.46 7.41 1nr7L1 SER 334 HA -0.02 0.17 0.45 -0.75 4.49 4.34 1nr7L1 SER 334 HB2 -0.00 0.02 0.06 -0.04 3.95 3.98 1nr7L1 SER 334 HB3 0.01 -0.15 0.11 -0.04 3.93 3.86 1nr7L1 ASN 335 H 0.01 -0.01 -0.01 -0.55 8.53 7.97 1nr7L1 ASN 335 HA 0.01 0.12 0.38 -0.75 4.76 4.52 1nr7L1 ASN 335 HB2 0.06 0.11 -0.03 -0.04 2.88 2.98 1nr7L1 ASN 335 HB3 0.04 -0.00 0.06 -0.04 2.79 2.84 1nr7L1 ASN 335 HD21 0.07 0.23 0.19 -0.04 7.03 7.47 1nr7L1 ASN 335 HD22 0.06 -0.01 0.05 -0.04 7.74 7.80 1nr7L1 ALA 336 H -0.05 0.17 -0.53 -0.55 8.40 7.44 1nr7L1 ALA 336 HA -0.19 -0.05 0.19 -0.75 4.34 3.54 1nr7L1 ALA 336 HB3 -0.40 0.05 -0.03 -0.04 1.41 0.98 1nr7L1 PRO 337 HA -0.08 0.10 0.41 -0.51 4.44 4.35 1nr7L1 PRO 337 HB2 -0.03 -0.00 -0.01 -0.04 2.28 2.20 1nr7L1 PRO 337 HB3 -0.04 0.01 0.05 -0.04 2.02 2.00 1nr7L1 PRO 337 HG2 -0.06 0.03 0.05 -0.04 2.03 2.01 1nr7L1 PRO 337 HG3 -0.10 -0.02 0.01 -0.04 2.03 1.88 1nr7L1 PRO 337 HD2 -0.06 0.38 -0.13 -0.04 3.68 3.83 1nr7L1 PRO 337 HD3 -0.14 0.02 -0.06 -0.04 3.65 3.43 1nr7L1 ARG 338 H -0.01 0.16 -0.36 -0.55 8.46 7.70 1nr7L1 ARG 338 HA 0.03 0.11 0.50 -0.75 4.34 4.23 1nr7L1 ARG 338 HB2 0.02 -0.06 0.06 -0.04 1.90 1.87 1nr7L1 ARG 338 HB3 0.03 0.00 0.16 -0.04 1.80 1.95 1nr7L1 ARG 338 HG2 0.05 0.04 0.07 -0.04 1.67 1.80 1nr7L1 ARG 338 HG3 0.03 -0.00 0.01 -0.04 1.67 1.66 1nr7L1 ARG 338 HD2 0.02 -0.02 -0.00 -0.04 3.22 3.18 1nr7L1 ARG 338 HD3 0.02 -0.03 0.01 -0.04 3.22 3.18 1nr7L1 VAL 339 H 0.08 0.58 -0.35 -0.55 8.24 8.00 1nr7L1 VAL 339 HA 0.12 0.14 0.93 -0.75 4.13 4.56 1nr7L1 VAL 339 HB 0.20 -0.12 -0.01 -0.04 2.12 2.15 1nr7L1 VAL 339 HG13 0.29 -0.00 -0.23 -0.04 0.97 0.98 1nr7L1 VAL 339 HG23 0.36 0.06 0.02 -0.04 0.95 1.35 1nr7L1 LYS 340 H 0.10 0.26 0.13 -0.55 8.42 8.36 1nr7L1 LYS 340 HA 0.07 0.19 0.80 -0.75 4.32 4.62 1nr7L1 LYS 340 HB2 0.09 0.12 0.03 -0.04 1.87 2.07 1nr7L1 LYS 340 HB3 0.07 -0.08 0.15 -0.04 1.79 1.89 1nr7L1 LYS 340 HG2 0.07 -0.00 -0.04 -0.04 1.46 1.45 1nr7L1 LYS 340 HG3 0.09 0.07 -0.10 -0.04 1.46 1.47 1nr7L1 LYS 340 HD2 0.13 -0.00 -0.03 -0.04 1.69 1.74 1nr7L1 LYS 340 HD3 0.10 -0.06 0.04 -0.04 1.68 1.71 1nr7L1 LYS 340 HE2 0.07 0.01 -0.03 -0.04 2.99 2.99 1nr7L1 LYS 340 HE3 0.08 0.02 -0.08 -0.04 2.99 2.97 1nr7L1 ALA 341 H 0.08 -0.06 -0.06 -0.55 8.40 7.82 1nr7L1 ALA 341 HA 0.04 0.39 0.45 -0.75 4.34 4.46 1nr7L1 ALA 341 HB3 0.03 -0.03 -0.04 -0.04 1.41 1.33 1nr7L1 LYS 342 H 0.02 0.47 0.44 -0.55 8.42 8.80 1nr7L1 LYS 342 HA 0.04 0.28 0.92 -0.75 4.32 4.80 1nr7L1 LYS 342 HB2 0.02 -0.10 0.14 -0.04 1.87 1.90 1nr7L1 LYS 342 HB3 0.02 -0.04 0.20 -0.04 1.79 1.93 1nr7L1 LYS 342 HG2 0.04 0.12 -0.19 -0.04 1.46 1.39 1nr7L1 LYS 342 HG3 0.03 -0.04 0.05 -0.04 1.46 1.46 1nr7L1 LYS 342 HD2 0.05 0.10 0.18 -0.04 1.69 1.97 1nr7L1 LYS 342 HD3 0.04 -0.04 0.07 -0.04 1.68 1.71 1nr7L1 LYS 342 HE2 0.03 0.27 0.19 -0.04 2.99 3.44 1nr7L1 LYS 342 HE3 0.03 -0.18 0.22 -0.04 2.99 3.03 1nr7L1 ILE 343 H -0.01 0.26 0.29 -0.55 8.25 8.24 1nr7L1 ILE 343 HA -0.08 0.37 0.95 -0.75 4.18 4.67 1nr7L1 ILE 343 HB -0.02 -0.08 0.04 -0.04 1.89 1.78 1nr7L1 ILE 343 HG12 -0.05 0.05 0.01 -0.04 1.49 1.46 1nr7L1 ILE 343 HG13 -0.01 0.02 -0.50 -0.04 1.21 0.68 1nr7L1 ILE 343 HG23 -0.09 -0.03 -0.22 -0.04 0.93 0.55 1nr7L1 ILE 343 HD13 -0.01 -0.02 -0.09 -0.04 0.88 0.72 1nr7L1 ILE 344 H -0.16 0.82 0.33 -0.55 8.25 8.69 1nr7L1 ILE 344 HA -0.09 0.31 1.09 -0.75 4.18 4.73 1nr7L1 ILE 344 HB -0.29 -0.08 0.15 -0.04 1.89 1.64 1nr7L1 ILE 344 HG12 -0.19 0.04 -0.11 -0.04 1.49 1.18 1nr7L1 ILE 344 HG13 -0.28 0.04 -0.31 -0.04 1.21 0.61 1nr7L1 ILE 344 HG23 -0.16 -0.02 -0.14 -0.04 0.93 0.57 1nr7L1 ILE 344 HD13 -0.98 0.00 -0.14 -0.04 0.88 -0.28 1nr7L1 ALA 345 H -0.05 0.52 0.15 -0.55 8.40 8.48 1nr7L1 ALA 345 HA -0.07 0.15 0.95 -0.75 4.34 4.61 1nr7L1 ALA 345 HB3 -0.04 0.00 -0.02 -0.04 1.41 1.32 1nr7L1 GLU 346 H -0.05 0.52 0.08 -0.55 8.60 8.60 1nr7L1 GLU 346 HA -0.01 0.07 0.45 -0.75 4.29 4.04 1nr7L1 GLU 346 HB2 -0.02 0.02 0.08 -0.04 2.09 2.13 1nr7L1 GLU 346 HB3 -0.01 0.10 0.16 -0.04 1.99 2.20 1nr7L1 GLU 346 HG2 -0.03 0.02 -0.06 -0.04 2.34 2.22 1nr7L1 GLU 346 HG3 -0.06 0.18 -0.08 -0.04 2.34 2.34 1nr7L1 GLY 347 H 0.01 0.34 0.13 -0.55 8.43 8.36 1nr7L1 GLY 347 HA2 0.01 0.08 0.49 -0.51 4.01 4.08 1nr7L1 GLY 347 HA3 0.03 -0.03 0.21 -0.51 4.01 3.71 1nr7L1 ALA 348 H 0.01 0.23 -0.62 -0.55 8.40 7.47 1nr7L1 ALA 348 HA 0.02 0.02 0.47 -0.75 4.34 4.09 1nr7L1 ALA 348 HB3 0.04 0.02 -0.03 -0.04 1.41 1.39 1nr7L1 ASN 349 H 0.03 0.11 0.08 -0.55 8.53 8.21 1nr7L1 ASN 349 HA 0.03 0.04 0.50 -0.75 4.76 4.57 1nr7L1 ASN 349 HB2 0.06 0.00 0.03 -0.04 2.88 2.93 1nr7L1 ASN 349 HB3 0.06 -0.02 0.03 -0.04 2.79 2.82 1nr7L1 ASN 349 HD21 0.02 0.04 -0.00 -0.04 7.03 7.04 1nr7L1 ASN 349 HD22 0.04 -0.03 0.02 -0.04 7.74 7.73 1nr7L1 GLY 350 H 0.05 0.07 0.17 -0.55 8.43 8.17 1nr7L1 GLY 350 HA2 0.08 0.04 0.40 -0.51 4.01 4.03 1nr7L1 GLY 350 HA3 0.12 0.01 0.38 -0.51 4.01 4.02 1nr7L1 PRO 351 HA 0.07 -0.05 0.77 -0.51 4.44 4.71 1nr7L1 PRO 351 HB2 0.05 -0.05 0.10 -0.04 2.28 2.33 1nr7L1 PRO 351 HB3 0.05 0.22 -0.04 -0.04 2.02 2.20 1nr7L1 PRO 351 HG2 0.02 0.00 -0.12 -0.04 2.03 1.89 1nr7L1 PRO 351 HG3 0.02 0.07 0.01 -0.04 2.03 2.08 1nr7L1 PRO 351 HD2 0.03 -0.04 0.08 -0.04 3.68 3.71 1nr7L1 PRO 351 HD3 0.04 0.29 -0.69 -0.04 3.65 3.24 1nr7L1 THR 352 H 0.09 0.16 -0.35 -0.55 8.28 7.64 1nr7L1 THR 352 HA 0.13 0.19 0.80 -0.75 4.39 4.76 1nr7L1 THR 352 HB 0.17 0.07 -0.05 -0.04 4.32 4.47 1nr7L1 THR 352 HG23 0.00 0.01 -0.28 -0.04 1.22 0.91 1nr7L1 THR 353 H 0.12 0.59 0.25 -0.55 8.28 8.69 1nr7L1 THR 353 HA 0.11 0.19 0.61 -0.75 4.39 4.55 1nr7L1 THR 353 HB 0.03 0.04 0.15 -0.04 4.32 4.50 1nr7L1 THR 353 HG23 0.06 0.07 -0.00 -0.04 1.22 1.30 1nr7L1 PRO 354 HA 0.06 0.08 0.38 -0.51 4.44 4.45 1nr7L1 PRO 354 HB2 -0.10 0.02 0.08 -0.04 2.28 2.25 1nr7L1 PRO 354 HB3 -0.18 0.10 0.09 -0.04 2.02 1.98 1nr7L1 PRO 354 HG2 -0.27 0.09 0.12 -0.04 2.03 1.92 1nr7L1 PRO 354 HG3 -0.45 0.06 0.12 -0.04 2.03 1.72 1nr7L1 PRO 354 HD2 -0.03 0.11 0.23 -0.04 3.68 3.94 1nr7L1 PRO 354 HD3 0.04 0.17 0.28 -0.04 3.65 4.10 1nr7L1 GLU 355 H -0.00 0.08 -0.25 -0.55 8.60 7.88 1nr7L1 GLU 355 HA -0.02 0.14 0.40 -0.75 4.29 4.05 1nr7L1 GLU 355 HB2 -0.01 -0.15 0.05 -0.04 2.09 1.95 1nr7L1 GLU 355 HB3 -0.03 0.09 0.01 -0.04 1.99 2.03 1nr7L1 GLU 355 HG2 -0.03 -0.06 0.05 -0.04 2.34 2.26 1nr7L1 GLU 355 HG3 -0.02 0.05 0.03 -0.04 2.34 2.35 1nr7L1 ALA 356 H 0.04 0.04 -0.28 -0.55 8.40 7.66 1nr7L1 ALA 356 HA -0.12 0.08 0.16 -0.75 4.34 3.70 1nr7L1 ALA 356 HB3 0.21 0.01 -0.15 -0.04 1.41 1.44 1nr7L1 ASP 357 H 0.15 0.40 -0.30 -0.55 8.40 8.10 1nr7L1 ASP 357 HA 0.31 0.03 0.29 -0.75 4.63 4.50 1nr7L1 ASP 357 HB2 0.12 0.18 0.14 -0.04 2.71 3.11 1nr7L1 ASP 357 HB3 0.12 0.00 -0.05 -0.04 2.70 2.73 1nr7L1 LYS 358 H 0.04 0.41 -0.12 -0.55 8.42 8.21 1nr7L1 LYS 358 HA 0.03 -0.01 0.33 -0.75 4.32 3.92 1nr7L1 LYS 358 HB2 -0.01 0.12 0.14 -0.04 1.87 2.08 1nr7L1 LYS 358 HB3 -0.01 0.00 0.02 -0.04 1.79 1.76 1nr7L1 LYS 358 HG2 0.01 -0.03 0.05 -0.04 1.46 1.44 1nr7L1 LYS 358 HG3 -0.00 0.08 0.08 -0.04 1.46 1.58 1nr7L1 LYS 358 HD2 -0.02 -0.03 -0.01 -0.04 1.69 1.59 1nr7L1 LYS 358 HD3 -0.02 -0.02 0.01 -0.04 1.68 1.61 1nr7L1 LYS 358 HE2 -0.02 -0.01 -0.00 -0.04 2.99 2.92 1nr7L1 LYS 358 HE3 -0.01 0.03 0.00 -0.04 2.99 2.97 1nr7L1 ILE 359 H -0.07 0.35 -0.35 -0.55 8.25 7.64 1nr7L1 ILE 359 HA -0.07 0.04 0.47 -0.75 4.18 3.86 1nr7L1 ILE 359 HB -0.35 0.08 0.13 -0.04 1.89 1.72 1nr7L1 ILE 359 HG12 -0.15 0.01 -0.00 -0.04 1.49 1.31 1nr7L1 ILE 359 HG13 -0.10 0.00 0.01 -0.04 1.21 1.08 1nr7L1 ILE 359 HG23 -0.31 0.00 -0.30 -0.04 0.93 0.28 1nr7L1 ILE 359 HD13 -0.07 -0.01 -0.06 -0.04 0.88 0.70 1nr7L1 PHE 360 H -0.17 0.57 0.04 -0.55 8.34 8.23 1nr7L1 PHE 360 HA 0.01 0.11 0.28 -0.75 4.62 4.27 1nr7L1 PHE 360 HB2 0.01 0.02 0.10 -0.04 3.15 3.25 1nr7L1 PHE 360 HB3 0.01 0.09 -0.02 -0.04 3.06 3.09 1nr7L1 PHE 360 HD2 0.02 0.01 -0.25 -0.04 7.28 7.02 1nr7L1 PHE 360 HE2 0.03 -0.03 -0.13 -0.04 7.38 7.21 1nr7L1 PHE 360 HZ 0.03 -0.08 -0.11 -0.04 7.32 7.12 1nr7L1 LEU 361 H 0.12 0.44 -0.43 -0.55 8.37 7.95 1nr7L1 LEU 361 HA 0.08 -0.01 0.39 -0.75 4.35 4.06 1nr7L1 LEU 361 HB2 0.07 0.09 0.03 -0.04 1.64 1.79 1nr7L1 LEU 361 HB3 0.04 0.10 -0.01 -0.04 1.64 1.73 1nr7L1 LEU 361 HG 0.04 0.01 0.02 -0.04 1.64 1.67 1nr7L1 LEU 361 HD13 0.05 -0.05 -0.16 -0.04 0.93 0.73 1nr7L1 LEU 361 HD23 0.04 -0.03 -0.02 -0.04 0.89 0.84 1nr7L1 GLU 362 H 0.02 0.39 -0.19 -0.55 8.60 8.29 1nr7L1 GLU 362 HA 0.02 0.00 0.54 -0.75 4.29 4.10 1nr7L1 GLU 362 HB2 -0.01 0.13 0.28 -0.04 2.09 2.45 1nr7L1 GLU 362 HB3 -0.01 -0.04 0.02 -0.04 1.99 1.93 1nr7L1 GLU 362 HG2 -0.00 -0.05 0.08 -0.04 2.34 2.33 1nr7L1 GLU 362 HG3 0.00 -0.04 0.06 -0.04 2.34 2.32 1nr7L1 ARG 363 H 0.04 0.38 -0.31 -0.55 8.46 8.01 1nr7L1 ARG 363 HA 0.03 0.12 0.79 -0.75 4.34 4.52 1nr7L1 ARG 363 HB2 0.04 0.04 0.17 -0.04 1.90 2.11 1nr7L1 ARG 363 HB3 0.01 -0.08 0.01 -0.04 1.80 1.70 1nr7L1 ARG 363 HG2 0.00 0.22 -0.04 -0.04 1.67 1.81 1nr7L1 ARG 363 HG3 0.10 0.06 -0.04 -0.04 1.67 1.75 1nr7L1 ARG 363 HD2 -0.03 -0.09 -0.02 -0.04 3.22 3.04 1nr7L1 ARG 363 HD3 -0.07 -0.08 -0.17 -0.04 3.22 2.85 1nr7L1 ASN 364 H 0.04 0.20 -0.50 -0.55 8.53 7.73 1nr7L1 ASN 364 HA 0.05 -0.07 0.33 -0.75 4.76 4.32 1nr7L1 ASN 364 HB2 0.04 0.00 -0.03 -0.04 2.88 2.85 1nr7L1 ASN 364 HB3 0.04 0.06 0.20 -0.04 2.79 3.05 1nr7L1 ASN 364 HD21 0.02 -0.09 0.06 -0.04 7.03 6.98 1nr7L1 ASN 364 HD22 0.02 0.18 0.10 -0.04 7.74 8.00 1nr7L1 ILE 365 H 0.10 0.46 -0.02 -0.55 8.25 8.23 1nr7L1 ILE 365 HA 0.05 0.28 0.98 -0.75 4.18 4.73 1nr7L1 ILE 365 HB 0.28 -0.21 0.08 -0.04 1.89 2.00 1nr7L1 ILE 365 HG12 0.17 0.17 -0.25 -0.04 1.49 1.54 1nr7L1 ILE 365 HG13 0.38 -0.12 -0.05 -0.04 1.21 1.38 1nr7L1 ILE 365 HG23 -0.05 -0.05 -0.36 -0.04 0.93 0.44 1nr7L1 ILE 365 HD13 0.10 0.07 0.04 -0.04 0.88 1.05 1nr7L1 MET 366 H -0.01 0.52 0.21 -0.55 8.47 8.64 1nr7L1 MET 366 HA -0.06 0.05 0.64 -0.75 4.52 4.40 1nr7L1 MET 366 HB2 -0.03 0.04 0.09 -0.04 2.15 2.21 1nr7L1 MET 366 HB3 -0.07 0.10 0.24 -0.04 2.03 2.25 1nr7L1 MET 366 HG2 -0.27 -0.12 -0.31 -0.04 2.63 1.90 1nr7L1 MET 366 HG3 -0.26 -0.02 -0.08 -0.04 2.56 2.15 1nr7L1 MET 366 HE3 -0.10 -0.01 -0.11 -0.04 2.10 1.84 1nr7L1 VAL 367 H -0.12 0.31 0.26 -0.55 8.24 8.14 1nr7L1 VAL 367 HA -0.19 0.19 1.03 -0.75 4.13 4.40 1nr7L1 VAL 367 HB -0.09 -0.12 0.19 -0.04 2.12 2.06 1nr7L1 VAL 367 HG13 -0.14 -0.03 -0.15 -0.04 0.97 0.61 1nr7L1 VAL 367 HG23 -0.20 0.07 -0.13 -0.04 0.95 0.66 1nr7L1 ILE 368 H -0.19 0.71 0.25 -0.55 8.25 8.47 1nr7L1 ILE 368 HA -0.33 0.11 0.64 -0.75 4.18 3.84 1nr7L1 ILE 368 HB -0.12 -0.08 0.23 -0.04 1.89 1.87 1nr7L1 ILE 368 HG12 -0.80 0.03 -0.07 -0.04 1.49 0.61 1nr7L1 ILE 368 HG13 -0.32 0.01 -0.10 -0.04 1.21 0.76 1nr7L1 ILE 368 HG23 -0.01 0.01 -0.12 -0.04 0.93 0.77 1nr7L1 ILE 368 HD13 -0.14 0.02 -0.12 -0.04 0.88 0.59 1nr7L1 PRO 369 HA -0.05 -0.02 0.40 -0.51 4.44 4.26 1nr7L1 PRO 369 HB2 -0.01 -0.02 0.02 -0.04 2.28 2.23 1nr7L1 PRO 369 HB3 -0.05 -0.03 0.12 -0.04 2.02 2.01 1nr7L1 PRO 369 HG2 -0.08 0.25 -0.47 -0.04 2.03 1.68 1nr7L1 PRO 369 HG3 -0.07 -0.06 -0.06 -0.04 2.03 1.79 1nr7L1 PRO 369 HD2 -0.17 0.14 0.15 -0.04 3.68 3.76 1nr7L1 PRO 369 HD3 -0.22 0.42 0.47 -0.04 3.65 4.28 1nr7L1 ASP 370 H -0.04 0.13 0.23 -0.55 8.40 8.17 1nr7L1 ASP 370 HA -0.01 0.30 0.60 -0.75 4.63 4.76 1nr7L1 ASP 370 HB2 -0.01 0.06 -0.03 -0.04 2.71 2.69 1nr7L1 ASP 370 HB3 -0.01 0.10 0.23 -0.04 2.70 2.98 1nr7L1 LEU 371 H -0.07 -0.01 -0.12 -0.55 8.37 7.62 1nr7L1 LEU 371 HA -0.10 0.06 0.24 -0.75 4.35 3.79 1nr7L1 LEU 371 HB2 -0.36 -0.09 0.06 -0.04 1.64 1.21 1nr7L1 LEU 371 HB3 -0.22 -0.01 -0.04 -0.04 1.64 1.33 1nr7L1 LEU 371 HG -0.23 0.15 -0.20 -0.04 1.64 1.32 1nr7L1 LEU 371 HD13 -0.34 -0.02 -0.11 -0.04 0.93 0.42 1nr7L1 LEU 371 HD23 -1.07 0.00 -0.19 -0.04 0.89 -0.41 1nr7L1 TYR 372 H 0.07 0.02 -0.80 -0.55 8.29 7.02 1nr7L1 TYR 372 HA -0.06 0.25 0.86 -0.75 4.56 4.87 1nr7L1 TYR 372 HB2 -0.05 0.06 -0.11 -0.04 3.06 2.93 1nr7L1 TYR 372 HB3 -0.05 -0.09 -0.02 -0.04 2.98 2.78 1nr7L1 TYR 372 HD2 -0.01 -0.01 -0.18 -0.04 7.15 6.91 1nr7L1 TYR 372 HE2 0.05 0.01 -0.10 -0.04 6.85 6.76 1nr7L1 LEU 373 H 0.17 0.63 0.07 -0.55 8.37 8.69 1nr7L1 LEU 373 HA -0.24 0.06 0.28 -0.75 4.35 3.69 1nr7L1 LEU 373 HB2 0.10 0.03 -0.02 -0.04 1.64 1.71 1nr7L1 LEU 373 HB3 0.00 0.16 0.06 -0.04 1.64 1.83 1nr7L1 LEU 373 HG -0.01 -0.09 -0.29 -0.04 1.64 1.20 1nr7L1 LEU 373 HD13 0.06 0.06 0.02 -0.04 0.93 1.03 1nr7L1 LEU 373 HD23 -0.00 0.01 -0.61 -0.04 0.89 0.25 1nr7L1 ASN 374 H -0.06 0.31 -0.18 -0.55 8.53 8.06 1nr7L1 ASN 374 HA -0.07 0.16 0.87 -0.75 4.76 4.97 1nr7L1 ASN 374 HB2 -0.02 -0.09 0.05 -0.04 2.88 2.78 1nr7L1 ASN 374 HB3 -0.02 0.07 -0.08 -0.04 2.79 2.72 1nr7L1 ASN 374 HD21 -0.00 -0.07 -0.15 -0.04 7.03 6.76 1nr7L1 ASN 374 HD22 -0.00 0.01 -0.15 -0.04 7.74 7.55 1nr7L1 ALA 375 H -0.20 0.58 -0.62 -0.55 8.40 7.61 1nr7L1 ALA 375 HA -0.09 0.07 0.56 -0.75 4.34 4.13 1nr7L1 ALA 375 HB3 -0.16 0.09 -0.02 -0.04 1.41 1.28 1nr7L1 GLY 376 H -0.12 0.19 -0.22 -0.55 8.43 7.73 1nr7L1 GLY 376 HA2 -0.12 0.15 0.28 -0.51 4.01 3.81 1nr7L1 GLY 376 HA3 -0.08 0.07 0.17 -0.51 4.01 3.66 1nr7L1 GLY 377 H -0.06 0.16 -0.28 -0.55 8.43 7.70 1nr7L1 GLY 377 HA2 -0.05 -0.02 0.32 -0.51 4.01 3.76 1nr7L1 GLY 377 HA3 -0.04 0.06 0.24 -0.51 4.01 3.76 1nr7L1 VAL 378 H -0.06 0.13 -0.35 -0.55 8.24 7.41 1nr7L1 VAL 378 HA -0.02 0.01 0.28 -0.75 4.13 3.65 1nr7L1 VAL 378 HB -0.07 0.17 0.02 -0.04 2.12 2.20 1nr7L1 VAL 378 HG13 -0.02 0.02 -0.16 -0.04 0.97 0.76 1nr7L1 VAL 378 HG23 -0.04 -0.02 -0.02 -0.04 0.95 0.83 1nr7L1 THR 379 H -0.12 0.61 -0.19 -0.55 8.28 8.03 1nr7L1 THR 379 HA -0.19 0.10 0.33 -0.75 4.39 3.88 1nr7L1 THR 379 HB -0.21 0.02 0.14 -0.04 4.32 4.22 1nr7L1 THR 379 HG23 -0.28 0.01 -0.06 -0.04 1.22 0.85 1nr7L1 VAL 380 H -0.19 0.51 -0.14 -0.55 8.24 7.88 1nr7L1 VAL 380 HA -0.57 0.04 0.39 -0.75 4.13 3.23 1nr7L1 VAL 380 HB -0.04 0.07 0.11 -0.04 2.12 2.22 1nr7L1 VAL 380 HG13 0.09 -0.02 -0.14 -0.04 0.97 0.87 1nr7L1 VAL 380 HG23 -0.02 0.06 0.00 -0.04 0.95 0.95 1nr7L1 SER 381 H -0.04 0.63 -0.11 -0.55 8.46 8.40 1nr7L1 SER 381 HA 0.09 -0.13 0.39 -0.75 4.49 4.08 1nr7L1 SER 381 HB2 0.06 -0.03 0.02 -0.04 3.95 3.96 1nr7L1 SER 381 HB3 0.02 -0.03 0.04 -0.04 3.93 3.92 1nr7L1 TYR 382 H 0.08 0.48 -0.49 -0.55 8.29 7.81 1nr7L1 TYR 382 HA 0.35 0.07 0.42 -0.75 4.56 4.65 1nr7L1 TYR 382 HB2 -0.19 -0.00 0.07 -0.04 3.06 2.90 1nr7L1 TYR 382 HB3 -0.28 0.39 0.20 -0.04 2.98 3.26 1nr7L1 TYR 382 HD2 -0.10 0.01 0.01 -0.04 7.15 7.03 1nr7L1 TYR 382 HE2 0.12 0.03 -0.01 -0.04 6.85 6.94 1nr7L1 PHE 383 H -0.06 0.32 -0.13 -0.55 8.34 7.91 1nr7L1 PHE 383 HA -0.13 0.05 0.44 -0.75 4.62 4.21 1nr7L1 PHE 383 HB2 0.02 0.15 0.20 -0.04 3.15 3.47 1nr7L1 PHE 383 HB3 -0.06 -0.12 0.02 -0.04 3.06 2.85 1nr7L1 PHE 383 HD2 -0.18 -0.06 -0.05 -0.04 7.28 6.95 1nr7L1 PHE 383 HE2 -0.00 0.03 -0.08 -0.04 7.38 7.29 1nr7L1 PHE 383 HZ -0.00 0.08 -0.22 -0.04 7.32 7.13 1nr7L1 GLU 384 H 0.23 0.49 -0.07 -0.55 8.60 8.70 1nr7L1 GLU 384 HA 0.18 -0.05 0.34 -0.75 4.29 4.00 1nr7L1 GLU 384 HB2 0.13 -0.16 0.12 -0.04 2.09 2.13 1nr7L1 GLU 384 HB3 0.16 0.14 0.19 -0.04 1.99 2.44 1nr7L1 GLU 384 HG2 0.15 0.16 -0.13 -0.04 2.34 2.48 1nr7L1 GLU 384 HG3 0.11 0.16 -0.00 -0.04 2.34 2.57 1nr7L1 TRP 385 H 0.42 0.51 -0.30 -0.55 7.97 8.06 1nr7L1 TRP 385 HA 0.07 0.05 0.34 -0.75 4.62 4.32 1nr7L1 TRP 385 HB2 0.25 0.04 0.11 -0.04 3.23 3.58 1nr7L1 TRP 385 HB3 0.34 0.14 0.17 -0.04 3.23 3.84 1nr7L1 TRP 385 HD1 0.01 0.04 0.03 -0.04 7.22 7.26 1nr7L1 TRP 385 HE1 -0.00 0.17 0.11 -0.04 10.20 10.44 1nr7L1 TRP 385 HE3 0.44 0.01 -0.02 -0.04 7.59 7.98 1nr7L1 TRP 385 HZ2 0.09 0.16 0.08 -0.04 7.44 7.73 1nr7L1 TRP 385 HZ3 0.30 -0.03 -0.03 -0.04 7.13 7.33 1nr7L1 TRP 385 HH2 0.19 -0.03 -0.00 -0.04 7.19 7.31 1nr7L1 LEU 386 H 0.27 0.55 -0.09 -0.55 8.37 8.56 1nr7L1 LEU 386 HA -0.31 0.02 0.33 -0.75 4.35 3.63 1nr7L1 LEU 386 HB2 0.09 0.07 0.19 -0.04 1.64 1.95 1nr7L1 LEU 386 HB3 -0.04 -0.08 0.01 -0.04 1.64 1.48 1nr7L1 LEU 386 HG -0.21 0.31 0.09 -0.04 1.64 1.80 1nr7L1 LEU 386 HD13 -0.34 -0.03 -0.03 -0.04 0.93 0.49 1nr7L1 LEU 386 HD23 0.00 -0.01 0.00 -0.04 0.89 0.84 1nr7L1 LYS 387 H 0.10 0.77 -0.11 -0.55 8.42 8.62 1nr7L1 LYS 387 HA -0.30 -0.06 0.35 -0.75 4.32 3.56 1nr7L1 LYS 387 HB2 0.17 -0.09 0.07 -0.04 1.87 1.98 1nr7L1 LYS 387 HB3 0.05 0.23 0.13 -0.04 1.79 2.16 1nr7L1 LYS 387 HG2 -0.09 0.04 -0.24 -0.04 1.46 1.14 1nr7L1 LYS 387 HG3 -0.16 -0.07 -0.02 -0.04 1.46 1.17 1nr7L1 LYS 387 HD2 0.14 -0.19 -0.02 -0.04 1.69 1.57 1nr7L1 LYS 387 HD3 0.07 0.19 -0.22 -0.04 1.68 1.68 1nr7L1 LYS 387 HE2 0.01 0.08 -0.14 -0.04 2.99 2.89 1nr7L1 LYS 387 HE3 0.02 -0.21 -0.03 -0.04 2.99 2.74 1nr7L1 ASN 388 H -0.09 0.63 -0.20 -0.55 8.53 8.33 1nr7L1 ASN 388 HA -0.18 -0.05 0.40 -0.75 4.76 4.18 1nr7L1 ASN 388 HB2 -0.16 0.20 0.20 -0.04 2.88 3.08 1nr7L1 ASN 388 HB3 -0.10 -0.13 -0.17 -0.04 2.79 2.36 1nr7L1 ASN 388 HD21 0.05 0.10 0.09 -0.04 7.03 7.23 1nr7L1 ASN 388 HD22 -0.01 -0.16 0.04 -0.04 7.74 7.57 1nr7L1 LEU 389 H -0.42 0.49 -0.02 -0.55 8.37 7.87 1nr7L1 LEU 389 HA -0.43 0.01 0.51 -0.75 4.35 3.68 1nr7L1 LEU 389 HB2 -0.49 0.07 0.12 -0.04 1.64 1.30 1nr7L1 LEU 389 HB3 -0.35 -0.07 0.03 -0.04 1.64 1.20 1nr7L1 LEU 389 HG -1.03 0.11 -0.00 -0.04 1.64 0.67 1nr7L1 LEU 389 HD13 -1.27 -0.01 -0.05 -0.04 0.93 -0.44 1nr7L1 LEU 389 HD23 -0.30 -0.02 -0.03 -0.04 0.89 0.50 1nr7L1 ASN 390 H -0.33 0.45 -0.24 -0.55 8.53 7.87 1nr7L1 ASN 390 HA -0.16 0.06 0.59 -0.75 4.76 4.50 1nr7L1 ASN 390 HB2 -0.33 0.06 0.13 -0.04 2.88 2.69 1nr7L1 ASN 390 HB3 -0.25 -0.11 0.02 -0.04 2.79 2.41 1nr7L1 ASN 390 HD21 -0.13 -0.04 -0.05 -0.04 7.03 6.76 1nr7L1 ASN 390 HD22 -0.15 0.01 -0.01 -0.04 7.74 7.55 1nr7L1 HIS 391 H -0.40 0.43 -0.17 -0.55 8.41 7.73 1nr7L1 HIS 391 HA -0.10 0.03 0.31 -0.75 4.63 4.11 1nr7L1 HIS 391 HB2 -0.10 0.22 0.03 -0.04 3.26 3.38 1nr7L1 HIS 391 HB3 -0.09 -0.12 0.23 -0.04 3.20 3.18 1nr7L1 HIS 391 HD2 -0.08 -0.12 0.07 -0.04 6.97 6.80 1nr7L1 HIS 391 HE1 -0.07 -0.12 -0.06 -0.04 7.75 7.46 1nr7L1 VAL 392 H -0.18 0.27 -0.18 -0.55 8.24 7.60 1nr7L1 VAL 392 HA -0.08 0.04 0.56 -0.75 4.13 3.89 1nr7L1 VAL 392 HB -0.16 -0.09 -0.21 -0.04 2.12 1.62 1nr7L1 VAL 392 HG13 -0.07 0.03 0.06 -0.04 0.97 0.95 1nr7L1 VAL 392 HG23 -0.12 0.03 -0.41 -0.04 0.95 0.41 1nr7L1 SER 393 H -0.08 0.14 0.09 -0.55 8.46 8.07 1nr7L1 SER 393 HA -0.09 0.06 0.44 -0.75 4.49 4.15 1nr7L1 SER 393 HB2 -0.03 -0.05 0.07 -0.04 3.95 3.90 1nr7L1 SER 393 HB3 -0.02 0.07 0.12 -0.04 3.93 4.06 1nr7L1 TYR 394 H 0.00 0.10 0.21 -0.55 8.29 8.05 1nr7L1 TYR 394 HA -0.17 0.09 0.44 -0.75 4.56 4.17 1nr7L1 TYR 394 HB2 -0.10 -0.10 0.20 -0.04 3.06 3.02 1nr7L1 TYR 394 HB3 -0.16 0.01 0.04 -0.04 2.98 2.82 1nr7L1 TYR 394 HD2 -0.12 -0.08 0.06 -0.04 7.15 6.96 1nr7L1 TYR 394 HE2 -0.13 0.06 -0.01 -0.04 6.85 6.73 1nr7L1 GLY 395 H -0.18 0.20 0.20 -0.55 8.43 8.11 1nr7L1 GLY 395 HA2 -0.54 -0.02 0.39 -0.51 4.01 3.33 1nr7L1 GLY 395 HA3 -1.34 0.15 0.49 -0.51 4.01 2.80 1nr7L1 ARG 396 H -0.23 0.52 -0.23 -0.55 8.46 7.97 1nr7L1 ARG 396 HA -0.07 0.06 0.34 -0.75 4.34 3.91 1nr7L1 ARG 396 HB2 -0.10 0.23 0.08 -0.04 1.90 2.07 1nr7L1 ARG 396 HB3 -0.10 0.02 -0.01 -0.04 1.80 1.67 1nr7L1 ARG 396 HG2 -0.02 -0.03 0.08 -0.04 1.67 1.65 1nr7L1 ARG 396 HG3 -0.05 -0.02 0.05 -0.04 1.67 1.61 1nr7L1 ARG 396 HD2 -0.05 0.05 -0.07 -0.04 3.22 3.10 1nr7L1 ARG 396 HD3 -0.03 -0.02 -0.04 -0.04 3.22 3.09 1nr7L1 LEU 397 H -0.15 -0.00 -0.28 -0.55 8.37 7.39 1nr7L1 LEU 397 HA -0.04 0.29 1.00 -0.75 4.35 4.84 1nr7L1 LEU 397 HB2 -0.09 -0.02 0.00 -0.04 1.64 1.49 1nr7L1 LEU 397 HB3 -0.07 0.03 0.13 -0.04 1.64 1.69 1nr7L1 LEU 397 HG -0.06 0.07 -0.10 -0.04 1.64 1.52 1nr7L1 LEU 397 HD13 -0.09 -0.05 -0.17 -0.04 0.93 0.58 1nr7L1 LEU 397 HD23 -0.07 0.02 -0.01 -0.04 0.89 0.79 1nr7L1 THR 398 H -0.16 0.11 -0.22 -0.55 8.28 7.46 1nr7L1 THR 398 HA 0.08 0.28 1.04 -0.75 4.39 5.04 1nr7L1 THR 398 HB 0.06 0.03 -0.01 -0.04 4.32 4.36 1nr7L1 THR 398 HG23 -0.03 0.01 -0.13 -0.04 1.22 1.03 1nr7L1 PHE 399 H -0.19 0.35 0.17 -0.55 8.34 8.12 1nr7L1 PHE 399 HA 0.04 0.03 0.36 -0.75 4.62 4.30 1nr7L1 PHE 399 HB2 0.02 0.04 0.13 -0.04 3.15 3.30 1nr7L1 PHE 399 HB3 0.02 0.07 0.03 -0.04 3.06 3.13 1nr7L1 PHE 399 HD2 0.01 -0.00 -0.00 -0.04 7.28 7.24 1nr7L1 PHE 399 HE2 -0.01 -0.05 -0.12 -0.04 7.38 7.16 1nr7L1 PHE 399 HZ -0.01 0.26 -0.22 -0.04 7.32 7.31 1nr7L1 LYS 400 H 0.20 0.14 -0.23 -0.55 8.42 7.98 1nr7L1 LYS 400 HA 0.11 0.06 0.36 -0.75 4.32 4.09 1nr7L1 LYS 400 HB2 0.10 0.03 0.07 -0.04 1.87 2.02 1nr7L1 LYS 400 HB3 0.11 -0.02 0.03 -0.04 1.79 1.87 1nr7L1 LYS 400 HG2 0.06 0.03 -0.03 -0.04 1.46 1.48 1nr7L1 LYS 400 HG3 0.09 -0.01 -0.17 -0.04 1.46 1.33 1nr7L1 LYS 400 HD2 0.05 -0.02 0.04 -0.04 1.69 1.71 1nr7L1 LYS 400 HD3 0.04 0.01 0.01 -0.04 1.68 1.71 1nr7L1 LYS 400 HE2 -0.00 0.01 -0.01 -0.04 2.99 2.95 1nr7L1 LYS 400 HE3 0.02 0.02 -0.01 -0.04 2.99 2.97 1nr7L1 TYR 401 H 0.22 0.10 -0.17 -0.55 8.29 7.89 1nr7L1 TYR 401 HA 0.05 -0.01 0.37 -0.75 4.56 4.22 1nr7L1 TYR 401 HB2 0.02 0.04 0.16 -0.04 3.06 3.24 1nr7L1 TYR 401 HB3 0.03 0.04 0.20 -0.04 2.98 3.21 1nr7L1 TYR 401 HD2 0.03 -0.02 0.01 -0.04 7.15 7.13 1nr7L1 TYR 401 HE2 0.01 0.01 -0.01 -0.04 6.85 6.82 1nr7L1 GLU 402 H 0.18 0.69 -0.16 -0.55 8.60 8.76 1nr7L1 GLU 402 HA -0.06 -0.03 0.37 -0.75 4.29 3.82 1nr7L1 GLU 402 HB2 0.13 -0.06 -0.02 -0.04 2.09 2.09 1nr7L1 GLU 402 HB3 0.15 0.13 0.08 -0.04 1.99 2.30 1nr7L1 GLU 402 HG2 0.08 -0.02 -0.13 -0.04 2.34 2.23 1nr7L1 GLU 402 HG3 0.06 -0.01 -0.00 -0.04 2.34 2.35 1nr7L1 ARG 403 H 0.10 0.76 0.02 -0.55 8.46 8.80 1nr7L1 ARG 403 HA 0.05 -0.06 0.38 -0.75 4.34 3.96 1nr7L1 ARG 403 HB2 0.07 0.01 0.15 -0.04 1.90 2.08 1nr7L1 ARG 403 HB3 0.08 0.16 0.25 -0.04 1.80 2.25 1nr7L1 ARG 403 HG2 0.22 -0.03 -0.23 -0.04 1.67 1.60 1nr7L1 ARG 403 HG3 0.17 -0.04 0.02 -0.04 1.67 1.77 1nr7L1 ARG 403 HD2 0.03 0.02 -0.02 -0.04 3.22 3.21 1nr7L1 ARG 403 HD3 0.02 -0.01 -0.00 -0.04 3.22 3.19 1nr7L1 ASP 404 H 0.07 0.62 -0.11 -0.55 8.40 8.43 1nr7L1 ASP 404 HA 0.08 -0.03 0.38 -0.75 4.63 4.30 1nr7L1 ASP 404 HB2 0.03 0.18 0.21 -0.04 2.71 3.10 1nr7L1 ASP 404 HB3 0.14 -0.05 0.00 -0.04 2.70 2.74 1nr7L1 SER 405 H -0.10 0.63 0.04 -0.55 8.46 8.48 1nr7L1 SER 405 HA 0.03 -0.05 0.37 -0.75 4.49 4.09 1nr7L1 SER 405 HB2 -0.23 0.14 0.22 -0.04 3.95 4.05 1nr7L1 SER 405 HB3 -0.06 -0.02 0.03 -0.04 3.93 3.83 1nr7L1 ASN 406 H 0.02 0.72 -0.13 -0.55 8.53 8.59 1nr7L1 ASN 406 HA 0.03 -0.05 0.35 -0.75 4.76 4.34 1nr7L1 ASN 406 HB2 -0.08 0.27 0.22 -0.04 2.88 3.25 1nr7L1 ASN 406 HB3 -0.17 -0.08 -0.01 -0.04 2.79 2.49 1nr7L1 ASN 406 HD21 0.25 -0.05 -0.06 -0.04 7.03 7.13 1nr7L1 ASN 406 HD22 -0.03 -0.01 -0.02 -0.04 7.74 7.64 1nr7L1 TYR 407 H 0.08 0.57 0.02 -0.55 8.29 8.40 1nr7L1 TYR 407 HA -0.06 -0.04 0.42 -0.75 4.56 4.12 1nr7L1 TYR 407 HB2 -0.14 0.17 0.22 -0.04 3.06 3.26 1nr7L1 TYR 407 HB3 -0.16 -0.06 0.02 -0.04 2.98 2.74 1nr7L1 TYR 407 HD2 -0.09 0.15 0.04 -0.04 7.15 7.21 1nr7L1 TYR 407 HE2 -0.11 0.01 0.02 -0.04 6.85 6.73 1nr7L1 HIS 408 H 0.11 0.64 -0.13 -0.55 8.41 8.49 1nr7L1 HIS 408 HA 0.05 -0.03 0.41 -0.75 4.63 4.30 1nr7L1 HIS 408 HB2 0.00 0.18 0.18 -0.04 3.26 3.59 1nr7L1 HIS 408 HB3 0.01 -0.05 -0.02 -0.04 3.20 3.09 1nr7L1 HIS 408 HD2 -0.00 -0.01 -0.25 -0.04 6.97 6.66 1nr7L1 HIS 408 HE1 0.01 -0.01 -0.02 -0.04 7.75 7.68 1nr7L1 LEU 409 H 0.10 0.69 -0.05 -0.55 8.37 8.56 1nr7L1 LEU 409 HA 0.05 -0.03 0.38 -0.75 4.35 4.00 1nr7L1 LEU 409 HB2 0.04 0.21 0.26 -0.04 1.64 2.11 1nr7L1 LEU 409 HB3 0.03 -0.03 0.07 -0.04 1.64 1.67 1nr7L1 LEU 409 HG 0.03 -0.03 0.00 -0.04 1.64 1.59 1nr7L1 LEU 409 HD13 0.02 -0.02 -0.01 -0.04 0.93 0.88 1nr7L1 LEU 409 HD23 0.02 -0.00 -0.01 -0.04 0.89 0.86 1nr7L1 LEU 410 H 0.01 0.56 -0.04 -0.55 8.37 8.36 1nr7L1 LEU 410 HA 0.02 -0.01 0.34 -0.75 4.35 3.94 1nr7L1 LEU 410 HB2 -0.02 0.11 0.14 -0.04 1.64 1.83 1nr7L1 LEU 410 HB3 -0.01 -0.01 -0.17 -0.04 1.64 1.41 1nr7L1 LEU 410 HG -0.04 0.15 -0.00 -0.04 1.64 1.70 1nr7L1 LEU 410 HD13 -0.27 -0.02 -0.17 -0.04 0.93 0.43 1nr7L1 LEU 410 HD23 0.05 0.02 -0.06 -0.04 0.89 0.85 1nr7L1 MET 411 H 0.04 0.91 0.01 -0.55 8.47 8.89 1nr7L1 MET 411 HA 0.04 -0.10 0.36 -0.75 4.52 4.06 1nr7L1 MET 411 HB2 0.04 0.21 0.20 -0.04 2.15 2.56 1nr7L1 MET 411 HB3 0.05 -0.04 -0.02 -0.04 2.03 1.98 1nr7L1 MET 411 HG2 0.04 0.02 0.07 -0.04 2.63 2.72 1nr7L1 MET 411 HG3 -0.01 -0.02 0.01 -0.04 2.56 2.49 1nr7L1 MET 411 HE3 0.02 0.00 0.02 -0.04 2.10 2.10 1nr7L1 SER 412 H 0.06 0.59 -0.45 -0.55 8.46 8.11 1nr7L1 SER 412 HA 0.05 -0.01 0.46 -0.75 4.49 4.23 1nr7L1 SER 412 HB2 0.04 0.21 0.22 -0.04 3.95 4.38 1nr7L1 SER 412 HB3 0.03 -0.09 0.03 -0.04 3.93 3.86 1nr7L1 VAL 413 H 0.03 0.53 0.05 -0.55 8.24 8.30 1nr7L1 VAL 413 HA 0.02 -0.01 0.33 -0.75 4.13 3.72 1nr7L1 VAL 413 HB 0.02 0.16 0.19 -0.04 2.12 2.45 1nr7L1 VAL 413 HG13 0.02 -0.03 -0.08 -0.04 0.97 0.84 1nr7L1 VAL 413 HG23 0.02 0.03 0.06 -0.04 0.95 1.02 1nr7L1 GLN 414 H 0.03 0.60 -0.23 -0.55 8.47 8.33 1nr7L1 GLN 414 HA 0.03 -0.02 0.37 -0.75 4.36 3.99 1nr7L1 GLN 414 HB2 0.03 -0.14 0.04 -0.04 2.15 2.03 1nr7L1 GLN 414 HB3 0.03 0.11 0.15 -0.04 2.02 2.27 1nr7L1 GLN 414 HG2 0.04 0.01 -0.18 -0.04 2.40 2.22 1nr7L1 GLN 414 HG3 0.03 0.06 -0.03 -0.04 2.39 2.42 1nr7L1 GLN 414 HE21 0.02 -0.02 -0.01 -0.04 6.97 6.92 1nr7L1 GLN 414 HE22 0.02 0.02 -0.04 -0.04 7.69 7.66 1nr7L1 GLU 415 H 0.04 0.70 0.07 -0.55 8.60 8.86 1nr7L1 GLU 415 HA 0.04 -0.02 0.37 -0.75 4.29 3.93 1nr7L1 GLU 415 HB2 0.04 0.08 0.12 -0.04 2.09 2.28 1nr7L1 GLU 415 HB3 0.04 -0.05 0.08 -0.04 1.99 2.02 1nr7L1 GLU 415 HG2 0.04 -0.10 0.09 -0.04 2.34 2.33 1nr7L1 GLU 415 HG3 0.04 0.27 0.14 -0.04 2.34 2.75 1nr7L1 SER 416 H 0.03 0.64 -0.39 -0.55 8.46 8.20 1nr7L1 SER 416 HA 0.03 0.03 0.51 -0.75 4.49 4.30 1nr7L1 SER 416 HB2 0.03 0.07 0.10 -0.04 3.95 4.11 1nr7L1 SER 416 HB3 0.02 -0.09 0.01 -0.04 3.93 3.83 1nr7L1 LEU 417 H 0.03 0.62 0.02 -0.55 8.37 8.49 1nr7L1 LEU 417 HA 0.03 0.03 0.52 -0.75 4.35 4.19 1nr7L1 LEU 417 HB2 0.03 0.19 0.27 -0.04 1.64 2.08 1nr7L1 LEU 417 HB3 0.04 -0.11 -0.01 -0.04 1.64 1.51 1nr7L1 LEU 417 HG 0.02 -0.04 0.06 -0.04 1.64 1.64 1nr7L1 LEU 417 HD13 0.02 0.03 0.03 -0.04 0.93 0.97 1nr7L1 LEU 417 HD23 0.02 -0.03 -0.03 -0.04 0.89 0.81 1nr7L1 GLU 418 H 0.05 0.79 0.03 -0.55 8.60 8.92 1nr7L1 GLU 418 HA 0.10 -0.10 0.41 -0.75 4.29 3.94 1nr7L1 GLU 418 HB2 0.06 0.13 0.07 -0.04 2.09 2.31 1nr7L1 GLU 418 HB3 0.08 0.09 0.05 -0.04 1.99 2.17 1nr7L1 GLU 418 HG2 0.08 -0.34 0.01 -0.04 2.34 2.05 1nr7L1 GLU 418 HG3 0.06 0.21 0.02 -0.04 2.34 2.59 1nr7L1 ARG 419 H 0.04 0.29 -0.76 -0.55 8.46 7.48 1nr7L1 ARG 419 HA 0.02 0.09 0.64 -0.75 4.34 4.35 1nr7L1 ARG 419 HB2 0.03 0.19 0.11 -0.04 1.90 2.19 1nr7L1 ARG 419 HB3 0.02 -0.10 0.14 -0.04 1.80 1.82 1nr7L1 ARG 419 HG2 0.02 -0.05 0.03 -0.04 1.67 1.63 1nr7L1 ARG 419 HG3 0.03 0.39 0.15 -0.04 1.67 2.20 1nr7L1 ARG 419 HD2 0.01 -0.05 0.05 -0.04 3.22 3.19 1nr7L1 ARG 419 HD3 0.02 -0.06 0.02 -0.04 3.22 3.16 1nr7L1 LYS 420 H 0.07 0.57 -0.27 -0.55 8.42 8.23 1nr7L1 LYS 420 HA 0.05 0.05 0.62 -0.75 4.32 4.28 1nr7L1 LYS 420 HB2 0.05 -0.03 0.15 -0.04 1.87 2.00 1nr7L1 LYS 420 HB3 0.08 0.19 0.18 -0.04 1.79 2.20 1nr7L1 LYS 420 HG2 0.10 -0.03 -0.04 -0.04 1.46 1.45 1nr7L1 LYS 420 HG3 0.05 -0.04 0.07 -0.04 1.46 1.50 1nr7L1 LYS 420 HD2 0.04 -0.06 -0.02 -0.04 1.69 1.62 1nr7L1 LYS 420 HD3 0.04 -0.02 0.02 -0.04 1.68 1.67 1nr7L1 LYS 420 HE2 0.02 -0.07 -0.05 -0.04 2.99 2.85 1nr7L1 LYS 420 HE3 0.05 0.10 -0.01 -0.04 2.99 3.09 1nr7L1 PHE 421 H 0.15 0.25 -0.16 -0.55 8.34 8.03 1nr7L1 PHE 421 HA -0.00 0.17 0.86 -0.75 4.62 4.89 1nr7L1 PHE 421 HB2 0.00 0.01 -0.14 -0.04 3.15 2.99 1nr7L1 PHE 421 HB3 0.01 -0.05 -0.04 -0.04 3.06 2.94 1nr7L1 PHE 421 HD2 0.00 -0.00 -0.16 -0.04 7.28 7.07 1nr7L1 PHE 421 HE2 -0.00 -0.00 -0.00 -0.04 7.38 7.33 1nr7L1 PHE 421 HZ -0.00 -0.02 0.02 -0.04 7.32 7.27 1nr7L1 GLY 422 H -1.18 0.11 0.09 -0.55 8.43 6.91 1nr7L1 GLY 422 HA2 -0.23 0.12 0.49 -0.51 4.01 3.88 1nr7L1 GLY 422 HA3 -0.46 -0.03 0.40 -0.51 4.01 3.41 1nr7L1 LYS 423 H -0.04 0.70 0.49 -0.55 8.42 9.02 1nr7L1 LYS 423 HA -0.01 0.06 0.59 -0.75 4.32 4.20 1nr7L1 LYS 423 HB2 0.41 0.11 -0.41 -0.04 1.87 1.95 1nr7L1 LYS 423 HB3 0.21 0.04 -0.03 -0.04 1.79 1.97 1nr7L1 LYS 423 HG2 0.16 -0.06 0.12 -0.04 1.46 1.65 1nr7L1 LYS 423 HG3 0.18 -0.45 0.21 -0.04 1.46 1.37 1nr7L1 LYS 423 HD2 0.14 0.01 0.11 -0.04 1.69 1.91 1nr7L1 LYS 423 HD3 0.25 0.15 0.07 -0.04 1.68 2.10 1nr7L1 LYS 423 HE2 0.11 0.00 -0.08 -0.04 2.99 2.99 1nr7L1 LYS 423 HE3 0.11 0.04 -0.00 -0.04 2.99 3.10 1nr7L1 HIS 424 H 0.35 0.10 0.16 -0.55 8.41 8.48 1nr7L1 HIS 424 HA 0.03 0.28 0.84 -0.75 4.63 5.02 1nr7L1 HIS 424 HB2 0.01 0.03 0.20 -0.04 3.26 3.46 1nr7L1 HIS 424 HB3 0.01 0.08 -0.03 -0.04 3.20 3.22 1nr7L1 HIS 424 HD2 0.00 0.02 -0.01 -0.04 6.97 6.94 1nr7L1 HIS 424 HE1 0.02 0.01 -0.03 -0.04 7.75 7.69 1nr7L1 GLY 425 H 0.18 -0.27 0.16 -0.55 8.43 7.95 1nr7L1 GLY 425 HA2 0.04 0.16 0.36 -0.51 4.01 4.06 1nr7L1 GLY 425 HA3 0.02 0.07 0.32 -0.51 4.01 3.91 1nr7L1 GLY 426 H 0.12 -0.17 0.10 -0.55 8.43 7.94 1nr7L1 GLY 426 HA2 0.06 0.11 0.41 -0.51 4.01 4.08 1nr7L1 GLY 426 HA3 0.09 0.02 0.31 -0.51 4.01 3.92 1nr7L1 THR 427 H 0.06 0.05 -0.01 -0.55 8.28 7.83 1nr7L1 THR 427 HA 0.01 0.10 0.56 -0.75 4.39 4.31 1nr7L1 THR 427 HB 0.04 0.02 0.05 -0.04 4.32 4.38 1nr7L1 THR 427 HG23 0.02 0.00 -0.09 -0.04 1.22 1.11 1nr7L1 ILE 428 H 0.01 0.15 0.04 -0.55 8.25 7.89 1nr7L1 ILE 428 HA 0.02 0.25 1.02 -0.75 4.18 4.72 1nr7L1 ILE 428 HB 0.01 -0.02 0.20 -0.04 1.89 2.04 1nr7L1 ILE 428 HG12 0.01 -0.05 0.07 -0.04 1.49 1.48 1nr7L1 ILE 428 HG13 0.01 -0.02 0.00 -0.04 1.21 1.16 1nr7L1 ILE 428 HG23 0.01 0.00 -0.08 -0.04 0.93 0.83 1nr7L1 ILE 428 HD13 0.02 -0.03 -0.48 -0.04 0.88 0.35 1nr7L1 PRO 429 HA 0.02 0.16 0.53 -0.51 4.44 4.63 1nr7L1 PRO 429 HB2 0.02 0.06 -0.08 -0.04 2.28 2.24 1nr7L1 PRO 429 HB3 0.02 0.04 0.03 -0.04 2.02 2.07 1nr7L1 PRO 429 HG2 0.02 0.10 -0.19 -0.04 2.03 1.92 1nr7L1 PRO 429 HG3 0.02 0.03 -0.11 -0.04 2.03 1.93 1nr7L1 PRO 429 HD2 0.03 0.10 -0.02 -0.04 3.68 3.74 1nr7L1 PRO 429 HD3 0.02 -0.03 -0.73 -0.04 3.65 2.87 1nr7L1 ILE 430 H 0.02 0.12 -0.33 -0.55 8.25 7.51 1nr7L1 ILE 430 HA 0.01 0.01 0.18 -0.75 4.18 3.63 1nr7L1 ILE 430 HB 0.07 0.01 0.14 -0.04 1.89 2.07 1nr7L1 ILE 430 HG12 0.02 -0.05 -0.12 -0.04 1.49 1.30 1nr7L1 ILE 430 HG13 0.03 0.05 -0.32 -0.04 1.21 0.94 1nr7L1 ILE 430 HG23 0.03 -0.01 -0.08 -0.04 0.93 0.84 1nr7L1 ILE 430 HD13 0.02 0.00 -0.02 -0.04 0.88 0.84 1nr7L1 VAL 431 H 0.01 0.25 -1.16 -0.55 8.24 6.79 1nr7L1 VAL 431 HA 0.00 0.18 0.97 -0.75 4.13 4.53 1nr7L1 VAL 431 HB 0.01 -0.05 -0.07 -0.04 2.12 1.97 1nr7L1 VAL 431 HG13 0.01 0.05 0.09 -0.04 0.97 1.08 1nr7L1 VAL 431 HG23 0.01 0.04 -0.08 -0.04 0.95 0.87 1nr7L1 PRO 432 HA 0.08 0.05 0.40 -0.51 4.44 4.46 1nr7L1 PRO 432 HB2 -0.16 0.02 -0.07 -0.04 2.28 2.03 1nr7L1 PRO 432 HB3 -0.46 -0.06 0.04 -0.04 2.02 1.49 1nr7L1 PRO 432 HG2 -0.44 0.03 0.01 -0.04 2.03 1.58 1nr7L1 PRO 432 HG3 -0.52 0.04 -0.04 -0.04 2.03 1.48 1nr7L1 PRO 432 HD2 -0.06 0.06 0.14 -0.04 3.68 3.78 1nr7L1 PRO 432 HD3 -0.09 0.37 0.13 -0.04 3.65 4.01 1nr7L1 THR 433 H 0.24 0.03 0.16 -0.55 8.28 8.16 1nr7L1 THR 433 HA 0.05 0.24 0.58 -0.75 4.39 4.50 1nr7L1 THR 433 HB 0.05 0.02 0.14 -0.04 4.32 4.48 1nr7L1 THR 433 HG23 0.06 0.05 0.07 -0.04 1.22 1.35 1nr7L1 ALA 434 H 0.03 0.21 0.14 -0.55 8.40 8.23 1nr7L1 ALA 434 HA 0.02 0.13 0.32 -0.75 4.34 4.05 1nr7L1 ALA 434 HB3 0.01 0.02 0.10 -0.04 1.41 1.51 1nr7L1 GLU 435 H 0.04 0.10 -0.12 -0.55 8.60 8.08 1nr7L1 GLU 435 HA 0.04 0.10 0.34 -0.75 4.29 4.01 1nr7L1 GLU 435 HB2 0.05 -0.05 0.04 -0.04 2.09 2.08 1nr7L1 GLU 435 HB3 0.04 0.06 -0.03 -0.04 1.99 2.03 1nr7L1 GLU 435 HG2 0.02 0.08 0.01 -0.04 2.34 2.41 1nr7L1 GLU 435 HG3 0.02 0.03 0.02 -0.04 2.34 2.37 1nr7L1 PHE 436 H 0.18 0.02 -0.26 -0.55 8.34 7.72 1nr7L1 PHE 436 HA -0.02 0.05 0.31 -0.75 4.62 4.21 1nr7L1 PHE 436 HB2 -0.03 -0.04 0.13 -0.04 3.15 3.17 1nr7L1 PHE 436 HB3 -0.04 0.04 0.14 -0.04 3.06 3.16 1nr7L1 PHE 436 HD2 -0.06 -0.06 0.07 -0.04 7.28 7.19 1nr7L1 PHE 436 HE2 -0.08 0.03 -0.04 -0.04 7.38 7.25 1nr7L1 PHE 436 HZ -0.08 0.02 -0.03 -0.04 7.32 7.19 1nr7L1 GLN 437 H 0.05 0.70 -0.22 -0.55 8.47 8.45 1nr7L1 GLN 437 HA -0.18 -0.01 0.33 -0.75 4.36 3.74 1nr7L1 GLN 437 HB2 -0.05 0.03 -0.04 -0.04 2.15 2.05 1nr7L1 GLN 437 HB3 -0.01 0.13 0.09 -0.04 2.02 2.19 1nr7L1 GLN 437 HG2 -0.02 0.00 -0.05 -0.04 2.40 2.29 1nr7L1 GLN 437 HG3 -0.03 -0.01 -0.20 -0.04 2.39 2.12 1nr7L1 GLN 437 HE21 0.04 0.01 0.00 -0.04 6.97 6.99 1nr7L1 GLN 437 HE22 -0.03 -0.06 0.03 -0.04 7.69 7.59 1nr7L1 ASP 438 H 0.02 0.56 -0.09 -0.55 8.40 8.34 1nr7L1 ASP 438 HA -0.01 0.05 0.33 -0.75 4.63 4.25 1nr7L1 ASP 438 HB2 0.02 0.09 0.15 -0.04 2.71 2.92 1nr7L1 ASP 438 HB3 0.01 -0.04 -0.10 -0.04 2.70 2.53 1nr7L1 ARG 439 H 0.06 0.55 -0.28 -0.55 8.46 8.24 1nr7L1 ARG 439 HA 0.01 -0.01 0.24 -0.75 4.34 3.83 1nr7L1 ARG 439 HB2 0.10 0.06 0.03 -0.04 1.90 2.05 1nr7L1 ARG 439 HB3 0.18 0.08 0.02 -0.04 1.80 2.03 1nr7L1 ARG 439 HG2 0.05 -0.05 -0.04 -0.04 1.67 1.59 1nr7L1 ARG 439 HG3 0.05 -0.04 -0.03 -0.04 1.67 1.61 1nr7L1 ARG 439 HD2 0.05 -0.03 -0.06 -0.04 3.22 3.15 1nr7L1 ARG 439 HD3 0.07 -0.00 -0.07 -0.04 3.22 3.17 1nr7L1 ILE 440 H -0.03 0.49 -0.20 -0.55 8.25 7.96 1nr7L1 ILE 440 HA -0.05 -0.01 0.55 -0.75 4.18 3.91 1nr7L1 ILE 440 HB -0.15 0.11 0.14 -0.04 1.89 1.95 1nr7L1 ILE 440 HG12 -0.12 -0.07 -0.01 -0.04 1.49 1.25 1nr7L1 ILE 440 HG13 -0.25 0.28 0.02 -0.04 1.21 1.22 1nr7L1 ILE 440 HG23 -0.04 -0.02 -0.05 -0.04 0.93 0.78 1nr7L1 ILE 440 HD13 -1.13 -0.02 -0.06 -0.04 0.88 -0.38 1nr7L1 SER 441 H -0.05 0.73 -0.06 -0.55 8.46 8.53 1nr7L1 SER 441 HA -0.06 0.07 0.75 -0.75 4.49 4.50 1nr7L1 SER 441 HB2 -0.03 0.07 0.17 -0.04 3.95 4.12 1nr7L1 SER 441 HB3 -0.03 -0.05 0.17 -0.04 3.93 3.98 1nr7L1 GLY 442 H -0.12 -0.32 -0.33 -0.55 8.43 7.11 1nr7L1 GLY 442 HA2 -0.07 -0.03 0.30 -0.51 4.01 3.70 1nr7L1 GLY 442 HA3 -0.05 0.12 0.36 -0.51 4.01 3.93 1nr7L1 ALA 443 H -0.22 -0.15 0.01 -0.55 8.40 7.50 1nr7L1 ALA 443 HA -0.32 0.03 0.47 -0.75 4.34 3.76 1nr7L1 ALA 443 HB3 -0.94 0.02 0.18 -0.04 1.41 0.64 1nr7L1 SER 444 H -0.20 0.18 0.30 -0.55 8.46 8.20 1nr7L1 SER 444 HA 0.04 0.20 0.61 -0.75 4.49 4.58 1nr7L1 SER 444 HB2 -0.03 -0.25 -0.00 -0.04 3.95 3.62 1nr7L1 SER 444 HB3 -0.06 -0.05 0.17 -0.04 3.93 3.94 1nr7L1 GLU 445 H -0.01 0.19 0.18 -0.55 8.60 8.41 1nr7L1 GLU 445 HA 0.13 0.21 0.48 -0.75 4.29 4.36 1nr7L1 GLU 445 HB2 -0.02 0.12 0.17 -0.04 2.09 2.32 1nr7L1 GLU 445 HB3 -0.11 -0.10 0.18 -0.04 1.99 1.92 1nr7L1 GLU 445 HG2 0.11 0.02 -0.08 -0.04 2.34 2.35 1nr7L1 GLU 445 HG3 0.20 -0.01 0.17 -0.04 2.34 2.65 1nr7L1 LYS 446 H -0.04 0.08 -0.04 -0.55 8.42 7.87 1nr7L1 LYS 446 HA -0.11 0.20 0.23 -0.75 4.32 3.88 1nr7L1 LYS 446 HB2 -0.02 -0.08 -0.02 -0.04 1.87 1.70 1nr7L1 LYS 446 HB3 -0.05 0.01 0.02 -0.04 1.79 1.74 1nr7L1 LYS 446 HG2 -0.21 0.09 -0.35 -0.04 1.46 0.96 1nr7L1 LYS 446 HG3 -0.84 -0.03 -0.09 -0.04 1.46 0.45 1nr7L1 LYS 446 HD2 0.12 0.05 -0.06 -0.04 1.69 1.76 1nr7L1 LYS 446 HD3 0.01 -0.12 -0.03 -0.04 1.68 1.50 1nr7L1 LYS 446 HE2 0.06 0.04 -0.02 -0.04 2.99 3.03 1nr7L1 LYS 446 HE3 0.02 -0.05 -0.02 -0.04 2.99 2.90 1nr7L1 ASP 447 H 0.00 0.08 -0.49 -0.55 8.40 7.45 1nr7L1 ASP 447 HA 0.06 0.04 0.33 -0.75 4.63 4.30 1nr7L1 ASP 447 HB2 0.10 0.20 0.20 -0.04 2.71 3.17 1nr7L1 ASP 447 HB3 0.06 0.05 0.02 -0.04 2.70 2.79 1nr7L1 ILE 448 H 0.09 0.28 -0.02 -0.55 8.25 8.05 1nr7L1 ILE 448 HA -0.03 0.02 0.35 -0.75 4.18 3.77 1nr7L1 ILE 448 HB -0.07 0.09 0.17 -0.04 1.89 2.03 1nr7L1 ILE 448 HG12 0.21 0.09 0.09 -0.04 1.49 1.85 1nr7L1 ILE 448 HG13 -0.05 -0.09 -0.16 -0.04 1.21 0.87 1nr7L1 ILE 448 HG23 -0.34 -0.01 -0.08 -0.04 0.93 0.46 1nr7L1 ILE 448 HD13 0.04 -0.00 0.00 -0.04 0.88 0.88 1nr7L1 VAL 449 H -0.07 0.57 -0.22 -0.55 8.24 7.97 1nr7L1 VAL 449 HA -0.17 0.02 0.40 -0.75 4.13 3.63 1nr7L1 VAL 449 HB -0.06 0.05 0.23 -0.04 2.12 2.29 1nr7L1 VAL 449 HG13 0.25 -0.00 -0.11 -0.04 0.97 1.06 1nr7L1 VAL 449 HG23 0.00 0.07 -0.04 -0.04 0.95 0.94 1nr7L1 HIS 450 H -0.01 0.83 0.16 -0.55 8.41 8.84 1nr7L1 HIS 450 HA 0.02 -0.05 0.36 -0.75 4.63 4.20 1nr7L1 HIS 450 HB2 0.03 0.11 0.14 -0.04 3.26 3.49 1nr7L1 HIS 450 HB3 0.01 -0.02 -0.03 -0.04 3.20 3.13 1nr7L1 HIS 450 HD2 0.02 0.03 -0.02 -0.04 6.97 6.96 1nr7L1 HIS 450 HE1 0.08 -0.04 -0.05 -0.04 7.75 7.70 1nr7L1 SER 451 H 0.08 0.72 -0.27 -0.55 8.46 8.44 1nr7L1 SER 451 HA 0.06 -0.02 0.39 -0.75 4.49 4.17 1nr7L1 SER 451 HB2 0.05 -0.05 0.05 -0.04 3.95 3.96 1nr7L1 SER 451 HB3 -0.00 0.13 0.16 -0.04 3.93 4.18 1nr7L1 GLY 452 H -0.05 0.65 0.05 -0.55 8.43 8.54 1nr7L1 GLY 452 HA2 -0.00 -0.02 0.39 -0.51 4.01 3.86 1nr7L1 GLY 452 HA3 -0.10 0.06 0.36 -0.51 4.01 3.82 1nr7L1 LEU 453 H 0.20 0.58 -0.31 -0.55 8.37 8.29 1nr7L1 LEU 453 HA 0.07 0.02 0.42 -0.75 4.35 4.11 1nr7L1 LEU 453 HB2 0.13 0.05 0.02 -0.04 1.64 1.79 1nr7L1 LEU 453 HB3 -0.07 0.09 0.05 -0.04 1.64 1.67 1nr7L1 LEU 453 HG -0.08 -0.01 -0.02 -0.04 1.64 1.49 1nr7L1 LEU 453 HD13 -0.03 -0.03 -0.11 -0.04 0.93 0.72 1nr7L1 LEU 453 HD23 -0.13 -0.03 -0.08 -0.04 0.89 0.62 1nr7L1 ALA 454 H -0.10 0.60 0.02 -0.55 8.40 8.38 1nr7L1 ALA 454 HA -0.59 -0.03 0.42 -0.75 4.34 3.39 1nr7L1 ALA 454 HB3 -0.07 0.02 0.10 -0.04 1.41 1.42 1nr7L1 TYR 455 H 0.14 0.59 -0.17 -0.55 8.29 8.30 1nr7L1 TYR 455 HA -0.00 -0.01 0.41 -0.75 4.56 4.20 1nr7L1 TYR 455 HB2 0.00 -0.02 0.07 -0.04 3.06 3.06 1nr7L1 TYR 455 HB3 0.02 0.16 0.14 -0.04 2.98 3.26 1nr7L1 TYR 455 HD2 0.02 0.03 -0.14 -0.04 7.15 7.02 1nr7L1 TYR 455 HE2 0.01 0.02 -0.03 -0.04 6.85 6.81 1nr7L1 THR 456 H 0.18 0.51 -0.15 -0.55 8.28 8.28 1nr7L1 THR 456 HA 0.12 0.04 0.41 -0.75 4.39 4.19 1nr7L1 THR 456 HB 0.03 0.03 0.21 -0.04 4.32 4.55 1nr7L1 THR 456 HG23 0.00 -0.00 -0.08 -0.04 1.22 1.10 1nr7L1 MET 457 H -0.04 0.61 -0.02 -0.55 8.47 8.47 1nr7L1 MET 457 HA -0.00 -0.00 0.24 -0.75 4.52 4.00 1nr7L1 MET 457 HB2 -0.06 0.08 0.06 -0.04 2.15 2.19 1nr7L1 MET 457 HB3 0.04 -0.04 -0.10 -0.04 2.03 1.88 1nr7L1 MET 457 HG2 -0.13 0.20 0.04 -0.04 2.63 2.70 1nr7L1 MET 457 HG3 -0.10 -0.07 0.01 -0.04 2.56 2.37 1nr7L1 MET 457 HE3 -0.66 0.02 -0.05 -0.04 2.10 1.38 1nr7L1 GLU 458 H -0.05 0.40 -0.56 -0.55 8.60 7.85 1nr7L1 GLU 458 HA -0.05 0.03 0.52 -0.75 4.29 4.04 1nr7L1 GLU 458 HB2 -0.05 0.02 0.09 -0.04 2.09 2.11 1nr7L1 GLU 458 HB3 -0.17 0.11 0.22 -0.04 1.99 2.11 1nr7L1 GLU 458 HG2 -0.16 -0.00 -0.20 -0.04 2.34 1.94 1nr7L1 GLU 458 HG3 -0.11 -0.04 -0.01 -0.04 2.34 2.14 1nr7L1 ARG 459 H -0.24 0.60 0.15 -0.55 8.46 8.41 1nr7L1 ARG 459 HA -0.15 -0.05 0.39 -0.75 4.34 3.77 1nr7L1 ARG 459 HB2 -0.44 0.01 0.18 -0.04 1.90 1.60 1nr7L1 ARG 459 HB3 -0.11 0.12 0.21 -0.04 1.80 1.98 1nr7L1 ARG 459 HG2 -0.04 -0.01 -0.15 -0.04 1.67 1.44 1nr7L1 ARG 459 HG3 -0.09 -0.06 0.03 -0.04 1.67 1.51 1nr7L1 ARG 459 HD2 0.12 -0.03 -0.02 -0.04 3.22 3.24 1nr7L1 ARG 459 HD3 0.05 0.07 -0.05 -0.04 3.22 3.24 1nr7L1 SER 460 H 0.00 0.79 -0.22 -0.55 8.46 8.49 1nr7L1 SER 460 HA 0.02 0.04 0.35 -0.75 4.49 4.16 1nr7L1 SER 460 HB2 0.07 0.03 0.02 -0.04 3.95 4.02 1nr7L1 SER 460 HB3 0.24 -0.01 -0.07 -0.04 3.93 4.04 1nr7L1 ALA 461 H 0.03 0.46 -0.34 -0.55 8.40 8.00 1nr7L1 ALA 461 HA -0.39 -0.07 0.42 -0.75 4.34 3.55 1nr7L1 ALA 461 HB3 -0.28 0.04 0.19 -0.04 1.41 1.32 1nr7L1 ARG 462 H -0.15 0.63 0.01 -0.55 8.46 8.40 1nr7L1 ARG 462 HA -0.16 -0.05 0.38 -0.75 4.34 3.77 1nr7L1 ARG 462 HB2 -0.10 0.18 0.14 -0.04 1.90 2.09 1nr7L1 ARG 462 HB3 -0.08 -0.06 0.02 -0.04 1.80 1.64 1nr7L1 ARG 462 HG2 -0.15 0.03 0.03 -0.04 1.67 1.54 1nr7L1 ARG 462 HG3 -0.10 -0.02 -0.02 -0.04 1.67 1.49 1nr7L1 ARG 462 HD2 -0.07 -0.01 0.01 -0.04 3.22 3.10 1nr7L1 ARG 462 HD3 -0.08 -0.04 0.05 -0.04 3.22 3.11 1nr7L1 GLN 463 H -0.06 0.57 -0.25 -0.55 8.47 8.18 1nr7L1 GLN 463 HA -0.02 -0.03 0.40 -0.75 4.36 3.95 1nr7L1 GLN 463 HB2 -0.01 0.16 0.16 -0.04 2.15 2.42 1nr7L1 GLN 463 HB3 0.00 -0.05 0.04 -0.04 2.02 1.98 1nr7L1 GLN 463 HG2 -0.01 -0.12 0.02 -0.04 2.40 2.25 1nr7L1 GLN 463 HG3 -0.03 0.53 0.00 -0.04 2.39 2.86 1nr7L1 GLN 463 HE21 0.02 0.01 -0.04 -0.04 6.97 6.92 1nr7L1 GLN 463 HE22 0.01 -0.06 -0.03 -0.04 7.69 7.57 1nr7L1 ILE 464 H -0.07 0.61 -0.12 -0.55 8.25 8.13 1nr7L1 ILE 464 HA -0.00 0.03 0.42 -0.75 4.18 3.87 1nr7L1 ILE 464 HB -0.10 0.15 0.18 -0.04 1.89 2.07 1nr7L1 ILE 464 HG12 -0.04 -0.07 0.04 -0.04 1.49 1.38 1nr7L1 ILE 464 HG13 -0.08 0.49 0.16 -0.04 1.21 1.75 1nr7L1 ILE 464 HG23 -0.04 -0.05 -0.16 -0.04 0.93 0.64 1nr7L1 ILE 464 HD13 -0.30 -0.05 -0.05 -0.04 0.88 0.44 1nr7L1 MET 465 H -0.08 0.60 -0.09 -0.55 8.47 8.36 1nr7L1 MET 465 HA 0.11 -0.04 0.39 -0.75 4.52 4.23 1nr7L1 MET 465 HB2 -0.03 0.14 0.21 -0.04 2.15 2.43 1nr7L1 MET 465 HB3 0.14 -0.07 0.02 -0.04 2.03 2.08 1nr7L1 MET 465 HG2 -0.18 -0.08 0.02 -0.04 2.63 2.34 1nr7L1 MET 465 HG3 -0.31 0.28 0.03 -0.04 2.56 2.52 1nr7L1 MET 465 HE3 -1.14 0.00 -0.13 -0.04 2.10 0.79 1nr7L1 ARG 466 H -0.00 0.76 0.02 -0.55 8.46 8.68 1nr7L1 ARG 466 HA 0.01 -0.04 0.35 -0.75 4.34 3.91 1nr7L1 ARG 466 HB2 0.00 0.13 0.16 -0.04 1.90 2.15 1nr7L1 ARG 466 HB3 -0.01 -0.05 0.01 -0.04 1.80 1.72 1nr7L1 ARG 466 HG2 -0.01 -0.09 0.06 -0.04 1.67 1.59 1nr7L1 ARG 466 HG3 -0.02 0.25 0.02 -0.04 1.67 1.88 1nr7L1 ARG 466 HD2 -0.01 0.02 -0.01 -0.04 3.22 3.18 1nr7L1 ARG 466 HD3 -0.01 -0.03 0.00 -0.04 3.22 3.13 1nr7L1 THR 467 H 0.03 0.57 -0.26 -0.55 8.28 8.07 1nr7L1 THR 467 HA 0.06 -0.03 0.36 -0.75 4.39 4.02 1nr7L1 THR 467 HB 0.06 0.17 0.23 -0.04 4.32 4.73 1nr7L1 THR 467 HG23 0.18 -0.02 -0.05 -0.04 1.22 1.28 1nr7L1 ALA 468 H 0.08 0.69 -0.04 -0.55 8.40 8.57 1nr7L1 ALA 468 HA 0.11 -0.11 0.33 -0.75 4.34 3.91 1nr7L1 ALA 468 HB3 0.13 0.03 0.04 -0.04 1.41 1.56 1nr7L1 MET 469 H 0.08 0.60 -0.05 -0.55 8.47 8.55 1nr7L1 MET 469 HA 0.02 0.01 0.37 -0.75 4.52 4.18 1nr7L1 MET 469 HB2 0.03 -0.06 0.08 -0.04 2.15 2.16 1nr7L1 MET 469 HB3 0.02 0.16 0.14 -0.04 2.03 2.31 1nr7L1 MET 469 HG2 -0.02 0.02 -0.18 -0.04 2.63 2.40 1nr7L1 MET 469 HG3 -0.02 -0.04 0.04 -0.04 2.56 2.51 1nr7L1 MET 469 HE3 -0.01 0.00 -0.01 -0.04 2.10 2.04 1nr7L1 LYS 470 H -0.00 0.60 -0.18 -0.55 8.42 8.28 1nr7L1 LYS 470 HA -0.11 -0.03 0.47 -0.75 4.32 3.90 1nr7L1 LYS 470 HB2 -0.11 -0.03 0.08 -0.04 1.87 1.77 1nr7L1 LYS 470 HB3 -0.12 0.18 0.25 -0.04 1.79 2.06 1nr7L1 LYS 470 HG2 -0.83 0.01 -0.30 -0.04 1.46 0.29 1nr7L1 LYS 470 HG3 -0.30 -0.06 0.00 -0.04 1.46 1.06 1nr7L1 LYS 470 HD2 -0.15 -0.02 -0.04 -0.04 1.69 1.44 1nr7L1 LYS 470 HD3 -0.24 0.01 -0.01 -0.04 1.68 1.40 1nr7L1 LYS 470 HE2 -0.77 -0.02 -0.07 -0.04 2.99 2.09 1nr7L1 LYS 470 HE3 -0.25 -0.03 -0.06 -0.04 2.99 2.61 1nr7L1 TYR 471 H 0.08 0.63 0.04 -0.55 8.29 8.49 1nr7L1 TYR 471 HA -0.01 0.09 0.70 -0.75 4.56 4.59 1nr7L1 TYR 471 HB2 -0.00 0.05 0.13 -0.04 3.06 3.19 1nr7L1 TYR 471 HB3 -0.01 -0.07 0.20 -0.04 2.98 3.06 1nr7L1 TYR 471 HD2 -0.01 0.03 0.06 -0.04 7.15 7.18 1nr7L1 TYR 471 HE2 -0.02 -0.07 0.03 -0.04 6.85 6.74 1nr7L1 ASN 472 H 0.03 0.30 -0.86 -0.55 8.53 7.45 1nr7L1 ASN 472 HA 0.03 0.08 0.30 -0.75 4.76 4.42 1nr7L1 ASN 472 HB2 0.02 0.01 -0.13 -0.04 2.88 2.74 1nr7L1 ASN 472 HB3 0.04 -0.01 0.02 -0.04 2.79 2.80 1nr7L1 ASN 472 HD21 0.00 -0.06 0.03 -0.04 7.03 6.96 1nr7L1 ASN 472 HD22 0.01 -0.03 0.02 -0.04 7.74 7.69 1nr7L1 LEU 473 H 0.09 0.42 -0.31 -0.55 8.37 8.03 1nr7L1 LEU 473 HA 0.05 0.05 0.55 -0.75 4.35 4.25 1nr7L1 LEU 473 HB2 0.08 0.02 -0.02 -0.04 1.64 1.68 1nr7L1 LEU 473 HB3 0.06 -0.25 -0.08 -0.04 1.64 1.33 1nr7L1 LEU 473 HG 0.03 -0.04 -0.02 -0.04 1.64 1.58 1nr7L1 LEU 473 HD13 0.10 0.11 -0.11 -0.04 0.93 1.00 1nr7L1 LEU 473 HD23 0.02 -0.01 -0.19 -0.04 0.89 0.67 1nr7L1 GLY 474 H 0.05 -0.02 0.07 -0.55 8.43 7.98 1nr7L1 GLY 474 HA2 0.05 0.30 0.68 -0.51 4.01 4.53 1nr7L1 GLY 474 HA3 0.05 0.00 0.39 -0.51 4.01 3.94 1nr7L1 LEU 475 H 0.05 0.22 0.09 -0.55 8.37 8.18 1nr7L1 LEU 475 HA 0.08 0.21 0.71 -0.75 4.35 4.59 1nr7L1 LEU 475 HB2 0.04 0.06 0.01 -0.04 1.64 1.72 1nr7L1 LEU 475 HB3 0.01 -0.09 0.13 -0.04 1.64 1.65 1nr7L1 LEU 475 HG 0.11 -0.00 -0.05 -0.04 1.64 1.66 1nr7L1 LEU 475 HD13 0.09 0.03 -0.31 -0.04 0.93 0.70 1nr7L1 LEU 475 HD23 0.05 0.02 -0.26 -0.04 0.89 0.66 1nr7L1 ASP 476 H 0.04 0.10 -0.50 -0.55 8.40 7.49 1nr7L1 ASP 476 HA 0.02 0.16 0.63 -0.75 4.63 4.68 1nr7L1 ASP 476 HB2 0.04 0.05 0.07 -0.04 2.71 2.82 1nr7L1 ASP 476 HB3 0.03 0.06 0.09 -0.04 2.70 2.85 1nr7L1 LEU 477 H -0.06 0.48 -0.58 -0.55 8.37 7.67 1nr7L1 LEU 477 HA -0.04 0.11 0.22 -0.75 4.35 3.89 1nr7L1 LEU 477 HB2 -0.19 0.27 0.20 -0.04 1.64 1.88 1nr7L1 LEU 477 HB3 -0.20 -0.06 0.03 -0.04 1.64 1.38 1nr7L1 LEU 477 HG -0.30 0.03 -0.03 -0.04 1.64 1.30 1nr7L1 LEU 477 HD13 -0.15 0.02 -0.11 -0.04 0.93 0.65 1nr7L1 LEU 477 HD23 -0.81 -0.00 -0.11 -0.04 0.89 -0.07 1nr7L1 ARG 478 H -0.02 0.18 -0.26 -0.55 8.46 7.80 1nr7L1 ARG 478 HA 0.01 -0.02 0.47 -0.75 4.34 4.04 1nr7L1 ARG 478 HB2 -0.01 0.05 0.13 -0.04 1.90 2.03 1nr7L1 ARG 478 HB3 0.05 -0.02 0.14 -0.04 1.80 1.93 1nr7L1 ARG 478 HG2 0.04 0.05 -0.02 -0.04 1.67 1.70 1nr7L1 ARG 478 HG3 0.10 -0.03 -0.12 -0.04 1.67 1.58 1nr7L1 ARG 478 HD2 -0.91 0.03 0.01 -0.04 3.22 2.31 1nr7L1 ARG 478 HD3 -0.21 -0.14 0.07 -0.04 3.22 2.90 1nr7L1 THR 479 H 0.06 0.18 -0.00 -0.55 8.28 7.98 1nr7L1 THR 479 HA 0.12 -0.00 0.42 -0.75 4.39 4.17 1nr7L1 THR 479 HB -0.01 0.04 0.12 -0.04 4.32 4.43 1nr7L1 THR 479 HG23 0.06 -0.01 0.07 -0.04 1.22 1.29 1nr7L1 ALA 480 H 0.03 0.21 -1.00 -0.55 8.40 7.09 1nr7L1 ALA 480 HA 0.03 0.13 0.58 -0.75 4.34 4.33 1nr7L1 ALA 480 HB3 0.03 0.05 -0.01 -0.04 1.41 1.44 1nr7L1 ALA 481 H 0.02 0.50 0.13 -0.55 8.40 8.51 1nr7L1 ALA 481 HA -0.02 0.13 0.56 -0.75 4.34 4.26 1nr7L1 ALA 481 HB3 -0.09 0.00 0.13 -0.04 1.41 1.41 1nr7L1 TYR 482 H 0.12 0.47 0.13 -0.55 8.29 8.46 1nr7L1 TYR 482 HA -0.09 0.05 0.35 -0.75 4.56 4.11 1nr7L1 TYR 482 HB2 -0.09 -0.01 0.08 -0.04 3.06 3.01 1nr7L1 TYR 482 HB3 -0.16 0.06 -0.05 -0.04 2.98 2.78 1nr7L1 TYR 482 HD2 -0.23 0.10 -0.10 -0.04 7.15 6.88 1nr7L1 TYR 482 HE2 -0.24 -0.04 -0.01 -0.04 6.85 6.51 1nr7L1 VAL 483 H 0.02 0.23 -0.59 -0.55 8.24 7.35 1nr7L1 VAL 483 HA -0.11 0.02 0.37 -0.75 4.13 3.65 1nr7L1 VAL 483 HB -0.05 0.07 0.07 -0.04 2.12 2.17 1nr7L1 VAL 483 HG13 -0.25 0.00 -0.20 -0.04 0.97 0.48 1nr7L1 VAL 483 HG23 -0.22 0.06 0.10 -0.04 0.95 0.84 1nr7L1 ASN 484 H 0.01 0.35 -0.31 -0.55 8.53 8.03 1nr7L1 ASN 484 HA 0.06 -0.00 0.33 -0.75 4.76 4.39 1nr7L1 ASN 484 HB2 0.03 0.10 0.20 -0.04 2.88 3.17 1nr7L1 ASN 484 HB3 0.01 0.12 0.23 -0.04 2.79 3.11 1nr7L1 ASN 484 HD21 0.03 0.00 -0.03 -0.04 7.03 7.00 1nr7L1 ASN 484 HD22 0.05 -0.04 0.05 -0.04 7.74 7.76 1nr7L1 ALA 485 H 0.01 0.54 -0.28 -0.55 8.40 8.13 1nr7L1 ALA 485 HA 0.09 0.05 0.32 -0.75 4.34 4.04 1nr7L1 ALA 485 HB3 0.12 0.00 0.10 -0.04 1.41 1.60 1nr7L1 ILE 486 H 0.04 0.59 0.03 -0.55 8.25 8.36 1nr7L1 ILE 486 HA 0.26 -0.07 0.30 -0.75 4.18 3.91 1nr7L1 ILE 486 HB -0.05 0.12 0.11 -0.04 1.89 2.03 1nr7L1 ILE 486 HG12 -0.10 0.64 0.15 -0.04 1.49 2.14 1nr7L1 ILE 486 HG13 -0.29 -0.10 -0.12 -0.04 1.21 0.65 1nr7L1 ILE 486 HG23 -0.02 -0.02 -0.12 -0.04 0.93 0.72 1nr7L1 ILE 486 HD13 -0.05 -0.05 0.01 -0.04 0.88 0.75 1nr7L1 GLU 487 H 0.06 0.66 -0.33 -0.55 8.60 8.45 1nr7L1 GLU 487 HA 0.10 -0.07 0.29 -0.75 4.29 3.86 1nr7L1 GLU 487 HB2 0.09 0.22 0.12 -0.04 2.09 2.48 1nr7L1 GLU 487 HB3 0.11 -0.05 -0.02 -0.04 1.99 1.98 1nr7L1 GLU 487 HG2 0.03 -0.12 -0.02 -0.04 2.34 2.20 1nr7L1 GLU 487 HG3 0.06 0.21 -0.11 -0.04 2.34 2.46 1nr7L1 LYS 488 H 0.12 0.52 -0.03 -0.55 8.42 8.47 1nr7L1 LYS 488 HA 0.11 -0.03 0.43 -0.75 4.32 4.07 1nr7L1 LYS 488 HB2 0.10 0.10 0.25 -0.04 1.87 2.28 1nr7L1 LYS 488 HB3 0.07 -0.06 0.01 -0.04 1.79 1.77 1nr7L1 LYS 488 HG2 0.06 -0.08 0.05 -0.04 1.46 1.44 1nr7L1 LYS 488 HG3 0.07 0.08 0.11 -0.04 1.46 1.69 1nr7L1 LYS 488 HD2 0.05 -0.04 -0.10 -0.04 1.69 1.56 1nr7L1 LYS 488 HD3 0.03 -0.02 0.06 -0.04 1.68 1.71 1nr7L1 LYS 488 HE2 0.03 -0.09 0.01 -0.04 2.99 2.90 1nr7L1 LYS 488 HE3 0.04 -0.05 -0.01 -0.04 2.99 2.93 1nr7L1 VAL 489 H 0.19 0.42 -0.04 -0.55 8.24 8.26 1nr7L1 VAL 489 HA 0.13 -0.03 0.28 -0.75 4.13 3.76 1nr7L1 VAL 489 HB 0.35 0.08 0.04 -0.04 2.12 2.55 1nr7L1 VAL 489 HG13 0.38 -0.03 -0.12 -0.04 0.97 1.16 1nr7L1 VAL 489 HG23 0.21 0.00 -0.06 -0.04 0.95 1.06 1nr7L1 PHE 490 H 0.36 0.80 -0.28 -0.55 8.34 8.67 1nr7L1 PHE 490 HA 0.23 -0.10 0.35 -0.75 4.62 4.35 1nr7L1 PHE 490 HB2 0.12 -0.04 0.03 -0.04 3.15 3.22 1nr7L1 PHE 490 HB3 0.10 0.25 0.19 -0.04 3.06 3.57 1nr7L1 PHE 490 HD2 0.08 0.00 -0.09 -0.04 7.28 7.23 1nr7L1 PHE 490 HE2 0.05 0.03 -0.04 -0.04 7.38 7.38 1nr7L1 PHE 490 HZ 0.05 -0.00 -0.06 -0.04 7.32 7.26 1nr7L1 LYS 491 H 0.30 0.79 0.09 -0.55 8.42 9.05 1nr7L1 LYS 491 HA 0.07 -0.07 0.35 -0.75 4.32 3.92 1nr7L1 LYS 491 HB2 0.16 0.12 0.19 -0.04 1.87 2.31 1nr7L1 LYS 491 HB3 0.09 0.05 0.13 -0.04 1.79 2.02 1nr7L1 LYS 491 HG2 0.05 -0.02 -0.06 -0.04 1.46 1.39 1nr7L1 LYS 491 HG3 0.09 -0.04 0.06 -0.04 1.46 1.53 1nr7L1 LYS 491 HD2 0.11 0.01 -0.01 -0.04 1.69 1.76 1nr7L1 LYS 491 HD3 0.08 -0.01 -0.01 -0.04 1.68 1.69 1nr7L1 LYS 491 HE2 0.06 0.00 -0.00 -0.04 2.99 3.02 1nr7L1 LYS 491 HE3 0.06 -0.03 -0.01 -0.04 2.99 2.97 1nr7L1 VAL 492 H 0.05 0.44 -0.28 -0.55 8.24 7.90 1nr7L1 VAL 492 HA -0.03 -0.01 0.32 -0.75 4.13 3.65 1nr7L1 VAL 492 HB -0.08 0.09 0.15 -0.04 2.12 2.24 1nr7L1 VAL 492 HG13 -0.16 -0.01 -0.13 -0.04 0.97 0.63 1nr7L1 VAL 492 HG23 -0.02 0.01 -0.06 -0.04 0.95 0.84 1nr7L1 TYR 493 H 0.01 0.39 0.05 -0.55 8.29 8.20 1nr7L1 TYR 493 HA -0.04 -0.06 0.40 -0.75 4.56 4.11 1nr7L1 TYR 493 HB2 -0.13 0.13 0.27 -0.04 3.06 3.28 1nr7L1 TYR 493 HB3 -0.11 -0.06 0.07 -0.04 2.98 2.84 1nr7L1 TYR 493 HD2 0.03 0.16 0.04 -0.04 7.15 7.34 1nr7L1 TYR 493 HE2 0.05 -0.03 0.01 -0.04 6.85 6.83 1nr7L1 ASN 494 H -0.32 0.71 -0.03 -0.55 8.53 8.34 1nr7L1 ASN 494 HA -0.19 -0.10 0.32 -0.75 4.76 4.04 1nr7L1 ASN 494 HB2 -1.16 -0.07 0.00 -0.04 2.88 1.61 1nr7L1 ASN 494 HB3 -0.26 0.11 0.09 -0.04 2.79 2.70 1nr7L1 ASN 494 HD21 0.12 -0.04 -0.03 -0.04 7.03 7.04 1nr7L1 ASN 494 HD22 0.15 0.02 -0.03 -0.04 7.74 7.84 1nr7L1 GLU 495 H -0.06 0.78 -0.04 -0.55 8.60 8.73 1nr7L1 GLU 495 HA -0.00 -0.07 0.32 -0.75 4.29 3.79 1nr7L1 GLU 495 HB2 -0.01 0.28 0.19 -0.04 2.09 2.51 1nr7L1 GLU 495 HB3 -0.00 -0.05 0.18 -0.04 1.99 2.07 1nr7L1 GLU 495 HG2 0.01 -0.08 0.09 -0.04 2.34 2.32 1nr7L1 GLU 495 HG3 0.01 -0.04 0.09 -0.04 2.34 2.37 1nr7L1 ALA 496 H -0.01 0.47 -1.15 -0.55 8.40 7.17 1nr7L1 ALA 496 HA 0.02 0.11 0.64 -0.75 4.34 4.36 1nr7L1 ALA 496 HB3 0.01 -0.08 -0.00 -0.04 1.41 1.29 1nr7L1 GLY 497 H 0.07 0.42 0.21 -0.55 8.43 8.57 1nr7L1 GLY 497 HA2 0.06 0.02 0.28 -0.51 4.01 3.85 1nr7L1 GLY 497 HA3 0.09 0.16 0.65 -0.51 4.01 4.40 1nr7L1 VAL 498 H 0.12 -0.08 -0.28 -0.55 8.24 7.45 1nr7L1 VAL 498 HA 0.14 0.25 0.72 -0.75 4.13 4.48 1nr7L1 VAL 498 HB 0.06 0.05 -0.00 -0.04 2.12 2.19 1nr7L1 VAL 498 HG13 0.03 0.02 -0.24 -0.04 0.97 0.74 1nr7L1 VAL 498 HG23 0.07 -0.17 0.07 -0.04 0.95 0.87 1nr7L1 THR 499 H 0.16 -0.01 0.17 -0.55 8.28 8.05 1nr7L1 THR 499 HA 0.09 0.25 0.80 -0.75 4.39 4.78 1nr7L1 THR 499 HB 0.25 -0.03 0.06 -0.04 4.32 4.57 1nr7L1 THR 499 HG23 0.15 0.01 0.00 -0.04 1.22 1.35 1nr7L1 PHE 500 H 0.30 -0.16 0.07 -0.55 8.34 7.99 1nr7L1 PHE 500 HA 0.01 0.20 0.68 -0.75 4.62 4.77 1nr7L1 PHE 500 HB2 0.01 -0.08 0.17 -0.04 3.15 3.21 1nr7L1 PHE 500 HB3 0.01 0.12 0.25 -0.04 3.06 3.41 1nr7L1 PHE 500 HD2 0.01 -0.07 -0.14 -0.04 7.28 7.03 1nr7L1 PHE 500 HE2 0.01 -0.00 -0.02 -0.04 7.38 7.33 1nr7L1 PHE 500 HZ 0.01 -0.01 -0.00 -0.04 7.32 7.27 1nr7L1 THR 501 H 0.07 0.19 -0.91 -0.55 8.28 7.08 1nr7L1 THR 501 HA 0.07 0.46 -0.73 -0.75 4.39 3.45 1nr7L1 THR 501 HB 0.09 -0.16 -0.69 -0.04 4.32 3.52 1nr7L1 THR 501 HG23 0.04 0.01 -0.31 -0.04 1.22 0.92