============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. PHE 10 1.000 -1.786 -3.957 0.013 -99.200 -91.000 PHE 31 1.000 -1.625 -17.847 -6.262 -99.200 -91.000 TYR 35 0.840 -4.755 -20.810 -1.023 -99.200 -91.000 PHE 39 1.000 -6.607 -21.340 -7.432 -99.200 -91.000 TYR 42 0.840 -10.758 -11.172 -3.734 -99.200 -91.000 HIS 52 0.900 -4.436 -26.343 -11.579 -99.200 -91.000 TYR 54 0.840 -11.513 -34.171 -17.808 -99.200 -91.000 PHE 68 1.000 -19.306 -22.565 -13.580 -99.200 -91.000 PHE 88 1.000 -14.338 -10.079 -26.591 -99.200 -91.000 TRP 94 1.040 -22.658 -16.564 -26.635 -99.200 -91.000 TRP6 94 1.020 -23.467 -18.393 -25.366 -99.200 -91.000 PHE 100 1.000 -25.826 -16.099 -39.410 -99.200 -91.000 PHE 108 1.000 -19.803 -29.465 -49.001 -99.200 -91.000 PHE 142 1.000 3.262 -10.803 -45.176 -99.200 -91.000 PHE 157 1.000 -14.714 -9.703 -46.050 -99.200 -91.000 HIS 158 0.900 -17.321 -17.031 -53.270 -99.200 -91.000 PHE 161 1.000 -9.113 -9.283 -49.997 -99.200 -91.000 TYR 163 0.840 -0.305 -15.340 -49.334 -99.200 -91.000 PHE 168 1.000 -4.838 -10.690 -46.609 -99.200 -91.000 HIS 176 0.900 1.031 -8.312 -34.906 -99.200 -91.000 TRP 186 1.040 -3.263 -10.845 -14.625 -99.200 -91.000 TRP6 186 1.020 -1.226 -10.434 -15.759 -99.200 -91.000 TYR 190 0.840 -6.837 -3.829 -20.724 -99.200 -91.000 PHE 193 1.000 -6.776 -1.519 -9.920 -99.200 -91.000 TYR 199 0.840 0.034 7.618 -14.130 -99.200 -91.000 PHE 200 1.000 1.764 2.881 -18.343 -99.200 -91.000 HIS 204 0.900 -9.181 3.377 -24.472 -99.200 -91.000 TYR 213 0.840 -7.918 -0.783 -42.748 -99.200 -91.000 PHE 217 1.000 -10.501 -5.462 -45.800 -99.200 -91.000 HIS 225 0.900 -20.248 -9.925 -50.014 -99.200 -91.000 PHE 237 1.000 -20.893 -14.886 -40.388 -99.200 -91.000 PHE 241 1.000 -25.871 -10.732 -39.641 -99.200 -91.000 PHE 253 1.000 -29.259 -12.659 -36.728 -99.200 -91.000 PHE 266 1.000 -11.641 -11.281 -41.354 -99.200 -91.000 TYR 279 0.840 5.077 -22.709 -29.823 -99.200 -91.000 HIS 287 0.900 11.022 -32.415 -30.608 -99.200 -91.000 HIS 305 0.900 2.870 -37.381 -59.123 -99.200 -91.000 TYR 318 0.840 4.011 -39.660 -36.561 -99.200 -91.000 HIS 324 0.900 -5.977 -34.507 -32.324 -99.200 -91.000 PHE 329 1.000 5.742 -28.819 -26.200 -99.200 -91.000 HIS 339 0.900 -16.146 -19.704 -20.077 -99.200 -91.000 PHE 347 1.000 -17.564 -25.993 -9.449 -99.200 -91.000 TYR 350 0.840 -15.281 -24.339 -2.114 -99.200 -91.000 PHE 351 1.000 -24.334 -18.280 -3.348 -99.200 -91.000 HIS 367 0.900 1.156 -28.264 -20.902 -99.200 -91.000 PHE 372 1.000 -2.931 -35.386 -22.832 -99.200 -91.000 PHE 378 1.000 5.785 -32.340 -30.786 -99.200 -91.000 HIS 382 0.900 2.312 -37.014 -24.515 -99.200 -91.000 PHE 383 1.000 -3.237 -36.075 -28.236 -99.200 -91.000 PHE 390 1.000 -6.230 -38.980 -32.843 -99.200 -91.000 TYR 395 0.840 -7.727 -35.638 -18.474 -99.200 -91.000 PHE 396 1.000 -6.828 -31.792 -29.005 -99.200 -91.000 PHE 399 1.000 -9.578 -26.151 -31.600 -99.200 -91.000 PHE 417 1.000 -4.979 -33.754 -42.760 -99.200 -91.000 PHE 419 1.000 -3.668 -23.056 -44.565 -99.200 -91.000 PHE 427 1.000 7.788 -25.559 -50.039 -99.200 -91.000 PHE 447 1.000 -6.814 -11.981 -23.813 -99.200 -91.000 TYR 454 0.840 10.239 -20.639 -36.497 -99.200 -91.000 PHE 458 1.000 8.983 -22.508 -45.231 -99.200 -91.000 HIS 462 0.900 13.242 -29.721 -56.784 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1nr6A1 GLY 27 HA2 -0.26 -0.09 0.10 -0.51 4.01 3.25 1nr6A1 GLY 27 HA3 -0.09 -0.08 0.14 -0.51 4.01 3.47 1nr6A1 LYS 28 H 0.08 -0.02 0.06 -0.55 8.42 7.98 1nr6A1 LYS 28 HA 0.13 -0.13 0.46 -0.75 4.32 4.03 1nr6A1 LYS 28 HB2 0.13 0.12 0.04 -0.04 1.87 2.12 1nr6A1 LYS 28 HB3 0.08 -0.11 0.02 -0.04 1.79 1.74 1nr6A1 LYS 28 HG2 0.08 -0.12 -0.13 -0.04 1.46 1.25 1nr6A1 LYS 28 HG3 0.12 0.53 -0.30 -0.04 1.46 1.77 1nr6A1 LYS 28 HD2 0.33 0.04 -0.08 -0.04 1.69 1.93 1nr6A1 LYS 28 HD3 0.18 -0.07 -0.04 -0.04 1.68 1.71 1nr6A1 LYS 28 HE2 0.04 -0.13 0.01 -0.04 2.99 2.87 1nr6A1 LYS 28 HE3 0.03 0.32 0.16 -0.04 2.99 3.46 1nr6A1 LEU 29 H 0.12 -0.02 0.16 -0.55 8.37 8.08 1nr6A1 LEU 29 HA 0.09 0.22 0.54 -0.75 4.35 4.44 1nr6A1 LEU 29 HB2 0.06 -0.06 0.09 -0.04 1.64 1.68 1nr6A1 LEU 29 HB3 -0.01 0.10 0.07 -0.04 1.64 1.75 1nr6A1 LEU 29 HG 0.08 -0.10 0.08 -0.04 1.64 1.66 1nr6A1 LEU 29 HD13 0.03 -0.02 0.01 -0.04 0.93 0.92 1nr6A1 LEU 29 HD23 -0.02 0.06 0.08 -0.04 0.89 0.97 1nr6A1 PRO 30 HA -0.75 0.09 0.43 -0.51 4.44 3.70 1nr6A1 PRO 30 HB2 -0.24 -0.07 -0.24 -0.04 2.28 1.69 1nr6A1 PRO 30 HB3 -0.64 0.20 -0.10 -0.04 2.02 1.43 1nr6A1 PRO 30 HG2 -0.17 -0.02 -0.11 -0.04 2.03 1.68 1nr6A1 PRO 30 HG3 -0.41 0.04 -0.05 -0.04 2.03 1.57 1nr6A1 PRO 30 HD2 -0.11 0.04 0.07 -0.04 3.68 3.64 1nr6A1 PRO 30 HD3 -0.01 0.15 0.11 -0.04 3.65 3.86 1nr6A1 PRO 31 HA -0.01 0.06 0.47 -0.51 4.44 4.45 1nr6A1 PRO 31 HB2 0.13 0.01 0.13 -0.04 2.28 2.51 1nr6A1 PRO 31 HB3 0.13 -0.02 0.17 -0.04 2.02 2.26 1nr6A1 PRO 31 HG2 0.10 0.12 0.15 -0.04 2.03 2.36 1nr6A1 PRO 31 HG3 0.19 0.02 0.16 -0.04 2.03 2.36 1nr6A1 PRO 31 HD2 -0.40 0.18 0.30 -0.04 3.68 3.72 1nr6A1 PRO 31 HD3 0.13 0.09 0.22 -0.04 3.65 4.05 1nr6A1 GLY 32 H -0.28 0.22 0.23 -0.55 8.43 8.05 1nr6A1 GLY 32 HA2 -1.00 0.01 0.43 -0.51 4.01 2.94 1nr6A1 GLY 32 HA3 -0.30 0.37 0.51 -0.51 4.01 4.08 1nr6A1 PRO 33 HA -0.03 -0.01 0.42 -0.51 4.44 4.31 1nr6A1 PRO 33 HB2 -0.26 -0.03 -0.03 -0.04 2.28 1.91 1nr6A1 PRO 33 HB3 -0.16 0.01 0.08 -0.04 2.02 1.91 1nr6A1 PRO 33 HG2 -1.76 0.00 0.06 -0.04 2.03 0.29 1nr6A1 PRO 33 HG3 -0.63 0.04 0.07 -0.04 2.03 1.47 1nr6A1 PRO 33 HD2 -0.41 0.14 0.27 -0.04 3.68 3.64 1nr6A1 PRO 33 HD3 -0.75 0.13 0.23 -0.04 3.65 3.21 1nr6A1 THR 34 H 0.02 0.05 0.16 -0.55 8.28 7.96 1nr6A1 THR 34 HA -0.03 0.15 0.46 -0.75 4.39 4.21 1nr6A1 THR 34 HB 0.03 -0.07 0.13 -0.04 4.32 4.37 1nr6A1 THR 34 HG23 -0.01 0.00 -0.15 -0.04 1.22 1.02 1nr6A1 PRO 35 HA 0.02 0.03 0.40 -0.51 4.44 4.38 1nr6A1 PRO 35 HB2 -0.28 0.04 -0.08 -0.04 2.28 1.92 1nr6A1 PRO 35 HB3 -0.12 -0.04 -0.01 -0.04 2.02 1.81 1nr6A1 PRO 35 HG2 -0.31 -0.03 0.08 -0.04 2.03 1.73 1nr6A1 PRO 35 HG3 -0.72 0.05 0.01 -0.04 2.03 1.32 1nr6A1 PRO 35 HD2 -0.10 0.01 0.20 -0.04 3.68 3.75 1nr6A1 PRO 35 HD3 -0.06 0.40 0.19 -0.04 3.65 4.15 1nr6A1 PHE 36 H 0.16 0.31 0.11 -0.55 8.34 8.35 1nr6A1 PHE 36 HA -0.04 0.09 0.49 -0.75 4.62 4.41 1nr6A1 PHE 36 HB2 -0.02 0.00 0.11 -0.04 3.15 3.20 1nr6A1 PHE 36 HB3 -0.02 0.04 0.13 -0.04 3.06 3.16 1nr6A1 PHE 36 HD2 -0.03 -0.08 -0.03 -0.04 7.28 7.10 1nr6A1 PHE 36 HE2 -0.03 -0.03 0.03 -0.04 7.38 7.31 1nr6A1 PHE 36 HZ -0.03 -0.04 0.02 -0.04 7.32 7.23 1nr6A1 PRO 37 HA -0.28 0.04 0.46 -0.51 4.44 4.14 1nr6A1 PRO 37 HB2 -0.71 -0.02 0.11 -0.04 2.28 1.62 1nr6A1 PRO 37 HB3 -0.30 0.03 0.08 -0.04 2.02 1.78 1nr6A1 PRO 37 HG2 -0.43 0.02 0.10 -0.04 2.03 1.68 1nr6A1 PRO 37 HG3 -0.32 0.09 0.10 -0.04 2.03 1.86 1nr6A1 PRO 37 HD2 -1.74 0.05 0.22 -0.04 3.68 2.17 1nr6A1 PRO 37 HD3 -0.42 0.23 0.23 -0.04 3.65 3.65 1nr6A1 ILE 38 H -0.10 0.18 0.11 -0.55 8.25 7.89 1nr6A1 ILE 38 HA 0.05 0.02 0.35 -0.75 4.18 3.84 1nr6A1 ILE 38 HB 0.05 0.18 -0.03 -0.04 1.89 2.05 1nr6A1 ILE 38 HG12 0.01 0.01 0.02 -0.04 1.49 1.50 1nr6A1 ILE 38 HG13 -0.05 -0.05 -0.19 -0.04 1.21 0.88 1nr6A1 ILE 38 HG23 0.21 -0.01 -0.15 -0.04 0.93 0.94 1nr6A1 ILE 38 HD13 0.03 0.00 -0.04 -0.04 0.88 0.84 1nr6A1 ILE 39 H 0.19 0.54 -0.18 -0.55 8.25 8.25 1nr6A1 ILE 39 HA 0.19 0.09 0.65 -0.75 4.18 4.35 1nr6A1 ILE 39 HB -0.04 -0.08 0.09 -0.04 1.89 1.82 1nr6A1 ILE 39 HG12 0.13 -0.02 -0.01 -0.04 1.49 1.54 1nr6A1 ILE 39 HG13 0.53 0.12 -0.07 -0.04 1.21 1.75 1nr6A1 ILE 39 HG23 -0.08 0.01 -0.00 -0.04 0.93 0.81 1nr6A1 ILE 39 HD13 0.07 0.00 -0.22 -0.04 0.88 0.68 1nr6A1 GLY 40 H 0.10 0.31 -0.32 -0.55 8.43 7.97 1nr6A1 GLY 40 HA2 0.06 0.08 0.28 -0.51 4.01 3.92 1nr6A1 GLY 40 HA3 0.17 0.11 0.50 -0.51 4.01 4.28 1nr6A1 ASN 41 H 0.17 0.55 0.38 -0.55 8.53 9.08 1nr6A1 ASN 41 HA 0.10 0.14 0.68 -0.75 4.76 4.93 1nr6A1 ASN 41 HB2 0.13 -0.00 0.07 -0.04 2.88 3.04 1nr6A1 ASN 41 HB3 0.09 0.00 0.11 -0.04 2.79 2.95 1nr6A1 ASN 41 HD21 -0.01 0.38 -0.76 -0.04 7.03 6.59 1nr6A1 ASN 41 HD22 0.01 -0.01 -0.25 -0.04 7.74 7.45 1nr6A1 ILE 42 H 0.07 0.36 -0.29 -0.55 8.25 7.84 1nr6A1 ILE 42 HA 0.02 0.03 0.34 -0.75 4.18 3.81 1nr6A1 ILE 42 HB -0.06 -0.01 0.06 -0.04 1.89 1.84 1nr6A1 ILE 42 HG12 -0.16 -0.08 0.08 -0.04 1.49 1.28 1nr6A1 ILE 42 HG13 0.02 0.21 0.23 -0.04 1.21 1.63 1nr6A1 ILE 42 HG23 -0.24 -0.00 -0.11 -0.04 0.93 0.54 1nr6A1 ILE 42 HD13 -0.11 -0.03 0.03 -0.04 0.88 0.72 1nr6A1 LEU 43 H 0.01 0.15 -0.23 -0.55 8.37 7.75 1nr6A1 LEU 43 HA -0.03 0.08 0.33 -0.75 4.35 3.98 1nr6A1 LEU 43 HB2 -0.03 0.02 0.03 -0.04 1.64 1.62 1nr6A1 LEU 43 HB3 -0.03 0.02 0.02 -0.04 1.64 1.61 1nr6A1 LEU 43 HG -0.16 0.01 0.01 -0.04 1.64 1.46 1nr6A1 LEU 43 HD13 -0.08 0.01 0.02 -0.04 0.93 0.84 1nr6A1 LEU 43 HD23 -0.11 -0.01 -0.05 -0.04 0.89 0.68 1nr6A1 GLN 44 H 0.13 0.47 -0.50 -0.55 8.47 8.02 1nr6A1 GLN 44 HA 0.13 0.11 0.68 -0.75 4.36 4.53 1nr6A1 GLN 44 HB2 0.32 0.13 0.06 -0.04 2.15 2.62 1nr6A1 GLN 44 HB3 0.44 -0.04 0.12 -0.04 2.02 2.50 1nr6A1 GLN 44 HG2 0.13 -0.00 -0.04 -0.04 2.40 2.45 1nr6A1 GLN 44 HG3 0.10 -0.14 -0.18 -0.04 2.39 2.14 1nr6A1 GLN 44 HE21 0.02 0.03 -0.08 -0.04 6.97 6.89 1nr6A1 GLN 44 HE22 0.11 -0.03 0.00 -0.04 7.69 7.73 1nr6A1 ILE 45 H 0.15 0.52 -0.19 -0.55 8.25 8.18 1nr6A1 ILE 45 HA 0.12 0.08 0.85 -0.75 4.18 4.48 1nr6A1 ILE 45 HB 0.28 0.10 0.08 -0.04 1.89 2.31 1nr6A1 ILE 45 HG12 0.46 -0.01 -0.16 -0.04 1.49 1.74 1nr6A1 ILE 45 HG13 0.38 0.09 -0.25 -0.04 1.21 1.38 1nr6A1 ILE 45 HG23 0.46 -0.01 -0.23 -0.04 0.93 1.12 1nr6A1 ILE 45 HD13 0.37 -0.04 -0.21 -0.04 0.88 0.97 1nr6A1 ASP 46 H 0.04 0.13 0.08 -0.55 8.40 8.10 1nr6A1 ASP 46 HA 0.06 0.07 0.39 -0.75 4.63 4.39 1nr6A1 ASP 46 HB2 0.00 0.10 0.10 -0.04 2.71 2.87 1nr6A1 ASP 46 HB3 0.03 0.04 0.05 -0.04 2.70 2.77 1nr6A1 ALA 47 H 0.10 0.19 0.22 -0.55 8.40 8.36 1nr6A1 ALA 47 HA 0.53 0.09 0.37 -0.75 4.34 4.57 1nr6A1 ALA 47 HB3 0.06 0.02 0.11 -0.04 1.41 1.56 1nr6A1 LYS 48 H 0.09 -0.04 -0.32 -0.55 8.42 7.59 1nr6A1 LYS 48 HA 0.06 0.30 0.81 -0.75 4.32 4.73 1nr6A1 LYS 48 HB2 0.03 -0.06 0.02 -0.04 1.87 1.82 1nr6A1 LYS 48 HB3 0.02 0.06 0.06 -0.04 1.79 1.89 1nr6A1 LYS 48 HG2 0.04 0.09 -0.02 -0.04 1.46 1.52 1nr6A1 LYS 48 HG3 0.04 -0.10 -0.05 -0.04 1.46 1.31 1nr6A1 LYS 48 HD2 0.02 -0.03 -0.00 -0.04 1.69 1.64 1nr6A1 LYS 48 HD3 0.02 0.04 0.01 -0.04 1.68 1.71 1nr6A1 LYS 48 HE2 0.01 0.03 -0.01 -0.04 2.99 2.99 1nr6A1 LYS 48 HE3 0.01 -0.03 -0.01 -0.04 2.99 2.92 1nr6A1 ASP 49 H 0.03 0.11 -0.30 -0.55 8.40 7.69 1nr6A1 ASP 49 HA -0.07 0.19 0.75 -0.75 4.63 4.74 1nr6A1 ASP 49 HB2 -0.01 0.12 -0.24 -0.04 2.71 2.54 1nr6A1 ASP 49 HB3 -0.01 -0.05 0.14 -0.04 2.70 2.74 1nr6A1 ILE 50 H -0.21 0.29 -0.01 -0.55 8.25 7.76 1nr6A1 ILE 50 HA -0.01 0.09 0.36 -0.75 4.18 3.86 1nr6A1 ILE 50 HB -0.52 0.10 0.03 -0.04 1.89 1.46 1nr6A1 ILE 50 HG12 -0.07 -0.03 -0.23 -0.04 1.49 1.11 1nr6A1 ILE 50 HG13 0.06 -0.02 -0.01 -0.04 1.21 1.19 1nr6A1 ILE 50 HG23 -0.41 0.02 -0.04 -0.04 0.93 0.46 1nr6A1 ILE 50 HD13 -0.37 0.02 -0.12 -0.04 0.88 0.37 1nr6A1 SER 51 H -0.10 0.16 -0.18 -0.55 8.46 7.80 1nr6A1 SER 51 HA -0.01 0.08 0.29 -0.75 4.49 4.10 1nr6A1 SER 51 HB2 -0.04 -0.01 0.01 -0.04 3.95 3.87 1nr6A1 SER 51 HB3 -0.08 0.03 0.01 -0.04 3.93 3.85 1nr6A1 LYS 52 H -0.03 0.15 -0.29 -0.55 8.42 7.69 1nr6A1 LYS 52 HA -0.00 0.06 0.34 -0.75 4.32 3.97 1nr6A1 LYS 52 HB2 -0.02 0.00 0.09 -0.04 1.87 1.90 1nr6A1 LYS 52 HB3 -0.03 0.18 0.12 -0.04 1.79 2.02 1nr6A1 LYS 52 HG2 -0.04 -0.01 -0.14 -0.04 1.46 1.22 1nr6A1 LYS 52 HG3 -0.01 0.01 0.03 -0.04 1.46 1.45 1nr6A1 LYS 52 HD2 -0.01 0.03 0.00 -0.04 1.69 1.67 1nr6A1 LYS 52 HD3 -0.02 -0.02 -0.01 -0.04 1.68 1.59 1nr6A1 LYS 52 HE2 -0.01 0.00 -0.01 -0.04 2.99 2.93 1nr6A1 LYS 52 HE3 -0.02 -0.01 -0.03 -0.04 2.99 2.89 1nr6A1 SER 53 H -0.06 0.32 -0.26 -0.55 8.46 7.92 1nr6A1 SER 53 HA -0.28 0.07 0.54 -0.75 4.49 4.06 1nr6A1 SER 53 HB2 -0.04 0.17 0.21 -0.04 3.95 4.24 1nr6A1 SER 53 HB3 -0.33 0.11 0.12 -0.04 3.93 3.78 1nr6A1 LEU 54 H 0.00 0.59 -0.02 -0.55 8.37 8.40 1nr6A1 LEU 54 HA 0.35 0.04 0.39 -0.75 4.35 4.39 1nr6A1 LEU 54 HB2 0.16 0.05 0.09 -0.04 1.64 1.90 1nr6A1 LEU 54 HB3 0.36 -0.03 -0.04 -0.04 1.64 1.89 1nr6A1 LEU 54 HG 0.09 0.21 -0.07 -0.04 1.64 1.83 1nr6A1 LEU 54 HD13 0.04 -0.01 -0.16 -0.04 0.93 0.76 1nr6A1 LEU 54 HD23 0.38 -0.01 -0.12 -0.04 0.89 1.10 1nr6A1 THR 55 H 0.04 0.49 -0.31 -0.55 8.28 7.95 1nr6A1 THR 55 HA -0.13 0.02 0.45 -0.75 4.39 3.98 1nr6A1 THR 55 HB 0.06 0.11 0.08 -0.04 4.32 4.54 1nr6A1 THR 55 HG23 0.09 -0.01 -0.10 -0.04 1.22 1.16 1nr6A1 LYS 56 H -0.14 0.34 -0.24 -0.55 8.42 7.82 1nr6A1 LYS 56 HA -0.08 0.04 0.49 -0.75 4.32 4.02 1nr6A1 LYS 56 HB2 -0.31 0.14 0.25 -0.04 1.87 1.90 1nr6A1 LYS 56 HB3 -0.14 -0.03 0.04 -0.04 1.79 1.62 1nr6A1 LYS 56 HG2 -0.07 -0.05 0.05 -0.04 1.46 1.35 1nr6A1 LYS 56 HG3 -0.09 0.14 0.10 -0.04 1.46 1.57 1nr6A1 LYS 56 HD2 -0.15 0.00 0.04 -0.04 1.69 1.54 1nr6A1 LYS 56 HD3 -0.08 -0.03 0.02 -0.04 1.68 1.55 1nr6A1 LYS 56 HE2 -0.04 -0.02 -0.01 -0.04 2.99 2.88 1nr6A1 LYS 56 HE3 -0.05 0.03 -0.03 -0.04 2.99 2.89 1nr6A1 PHE 57 H -0.28 0.55 -0.07 -0.55 8.34 7.98 1nr6A1 PHE 57 HA -0.11 0.02 0.31 -0.75 4.62 4.09 1nr6A1 PHE 57 HB2 -0.37 0.10 0.09 -0.04 3.15 2.92 1nr6A1 PHE 57 HB3 -0.75 -0.00 -0.06 -0.04 3.06 2.21 1nr6A1 PHE 57 HD2 0.13 -0.04 -0.07 -0.04 7.28 7.26 1nr6A1 PHE 57 HE2 0.11 -0.05 -0.08 -0.04 7.38 7.31 1nr6A1 PHE 57 HZ 0.09 -0.01 -0.14 -0.04 7.32 7.22 1nr6A1 SER 58 H -0.20 0.37 -0.42 -0.55 8.46 7.66 1nr6A1 SER 58 HA -0.23 0.18 0.35 -0.75 4.49 4.04 1nr6A1 SER 58 HB2 -0.13 -0.03 -0.11 -0.04 3.95 3.64 1nr6A1 SER 58 HB3 -0.24 0.13 0.05 -0.04 3.93 3.82 1nr6A1 GLU 59 H -0.12 0.40 -0.41 -0.55 8.60 7.93 1nr6A1 GLU 59 HA -0.04 -0.01 0.43 -0.75 4.29 3.91 1nr6A1 GLU 59 HB2 -0.06 0.25 0.17 -0.04 2.09 2.40 1nr6A1 GLU 59 HB3 -0.04 -0.08 0.08 -0.04 1.99 1.90 1nr6A1 GLU 59 HG2 -0.02 -0.09 0.06 -0.04 2.34 2.25 1nr6A1 GLU 59 HG3 -0.05 0.28 0.13 -0.04 2.34 2.66 1nr6A1 CYS 60 H -0.14 0.34 -0.44 -0.55 8.50 7.72 1nr6A1 CYS 60 HA -0.15 0.20 1.02 -0.75 4.58 4.90 1nr6A1 CYS 60 HB2 -0.29 -0.05 0.13 -0.04 2.97 2.72 1nr6A1 CYS 60 HB3 -0.16 -0.04 -0.11 -0.04 2.97 2.61 1nr6A1 TYR 61 H -0.09 0.14 0.01 -0.55 8.29 7.79 1nr6A1 TYR 61 HA -0.02 0.14 0.87 -0.75 4.56 4.80 1nr6A1 TYR 61 HB2 -0.40 0.12 -0.07 -0.04 3.06 2.67 1nr6A1 TYR 61 HB3 -0.04 0.01 -0.04 -0.04 2.98 2.87 1nr6A1 TYR 61 HD2 -0.17 0.03 -0.00 -0.04 7.15 6.97 1nr6A1 TYR 61 HE2 -0.10 -0.04 -0.06 -0.04 6.85 6.61 1nr6A1 GLY 62 H 0.03 0.25 0.07 -0.55 8.43 8.24 1nr6A1 GLY 62 HA2 0.10 0.02 0.35 -0.51 4.01 3.98 1nr6A1 GLY 62 HA3 0.16 0.13 0.67 -0.51 4.01 4.45 1nr6A1 PRO 63 HA 0.26 0.03 0.44 -0.51 4.44 4.66 1nr6A1 PRO 63 HB2 0.16 -0.05 0.11 -0.04 2.28 2.46 1nr6A1 PRO 63 HB3 0.16 -0.03 0.19 -0.04 2.02 2.30 1nr6A1 PRO 63 HG2 0.18 0.07 0.07 -0.04 2.03 2.31 1nr6A1 PRO 63 HG3 0.13 -0.02 0.09 -0.04 2.03 2.18 1nr6A1 PRO 63 HD2 0.15 0.17 0.25 -0.04 3.68 4.21 1nr6A1 PRO 63 HD3 0.13 0.09 0.20 -0.04 3.65 4.02 1nr6A1 VAL 64 H 0.23 0.20 -0.37 -0.55 8.24 7.74 1nr6A1 VAL 64 HA 0.01 0.34 1.06 -0.75 4.13 4.78 1nr6A1 VAL 64 HB 0.16 -0.02 0.12 -0.04 2.12 2.34 1nr6A1 VAL 64 HG13 0.07 0.01 -0.12 -0.04 0.97 0.88 1nr6A1 VAL 64 HG23 0.35 -0.04 -0.19 -0.04 0.95 1.03 1nr6A1 PHE 65 H -0.36 0.48 0.26 -0.55 8.34 8.17 1nr6A1 PHE 65 HA -0.17 0.23 0.75 -0.75 4.62 4.69 1nr6A1 PHE 65 HB2 -0.21 0.08 0.12 -0.04 3.15 3.10 1nr6A1 PHE 65 HB3 0.01 0.07 -0.25 -0.04 3.06 2.84 1nr6A1 PHE 65 HD2 -0.03 0.16 -0.33 -0.04 7.28 7.04 1nr6A1 PHE 65 HE2 0.14 -0.07 -0.14 -0.04 7.38 7.27 1nr6A1 PHE 65 HZ 0.17 0.01 -0.01 -0.04 7.32 7.45 1nr6A1 THR 66 H -0.02 0.87 0.26 -0.55 8.28 8.84 1nr6A1 THR 66 HA -0.17 0.23 1.06 -0.75 4.39 4.76 1nr6A1 THR 66 HB -0.07 0.08 -0.10 -0.04 4.32 4.19 1nr6A1 THR 66 HG23 -0.30 -0.04 -0.15 -0.04 1.22 0.68 1nr6A1 VAL 67 H -0.17 0.62 0.37 -0.55 8.24 8.50 1nr6A1 VAL 67 HA 0.00 0.19 0.69 -0.75 4.13 4.26 1nr6A1 VAL 67 HB 0.10 -0.09 -0.01 -0.04 2.12 2.07 1nr6A1 VAL 67 HG13 0.16 0.01 -0.21 -0.04 0.97 0.88 1nr6A1 VAL 67 HG23 0.05 0.02 -0.15 -0.04 0.95 0.82 1nr6A1 TYR 68 H 0.20 0.11 0.09 -0.55 8.29 8.14 1nr6A1 TYR 68 HA 0.02 0.34 0.93 -0.75 4.56 5.10 1nr6A1 TYR 68 HB2 0.01 -0.20 0.16 -0.04 3.06 2.99 1nr6A1 TYR 68 HB3 0.02 0.32 -0.13 -0.04 2.98 3.16 1nr6A1 TYR 68 HD2 -0.02 0.04 -0.41 -0.04 7.15 6.72 1nr6A1 TYR 68 HE2 -0.03 0.08 -0.13 -0.04 6.85 6.72 1nr6A1 LEU 69 H 0.05 0.41 -0.11 -0.55 8.37 8.18 1nr6A1 LEU 69 HA 0.11 0.08 0.68 -0.75 4.35 4.47 1nr6A1 LEU 69 HB2 0.09 0.06 0.09 -0.04 1.64 1.84 1nr6A1 LEU 69 HB3 0.12 -0.07 0.04 -0.04 1.64 1.69 1nr6A1 LEU 69 HG 0.12 0.05 -0.18 -0.04 1.64 1.59 1nr6A1 LEU 69 HD13 0.27 -0.01 -0.04 -0.04 0.93 1.11 1nr6A1 LEU 69 HD23 0.31 0.00 -0.21 -0.04 0.89 0.94 1nr6A1 GLY 70 H 0.18 0.35 -0.59 -0.55 8.43 7.82 1nr6A1 GLY 70 HA2 0.38 0.13 0.19 -0.51 4.01 4.19 1nr6A1 GLY 70 HA3 0.06 0.08 0.81 -0.51 4.01 4.45 1nr6A1 MET 71 H -0.03 0.11 0.12 -0.55 8.47 8.12 1nr6A1 MET 71 HA 0.09 0.12 0.62 -0.75 4.52 4.60 1nr6A1 MET 71 HB2 -0.03 0.01 0.11 -0.04 2.15 2.20 1nr6A1 MET 71 HB3 0.01 0.00 0.02 -0.04 2.03 2.03 1nr6A1 MET 71 HG2 0.02 0.07 -0.03 -0.04 2.63 2.66 1nr6A1 MET 71 HG3 -0.04 0.02 0.05 -0.04 2.56 2.55 1nr6A1 MET 71 HE3 -0.03 0.01 0.04 -0.04 2.10 2.08 1nr6A1 LYS 72 H 0.02 0.02 -0.02 -0.55 8.42 7.89 1nr6A1 LYS 72 HA 0.05 0.16 0.60 -0.75 4.32 4.37 1nr6A1 LYS 72 HB2 -0.02 -0.02 0.06 -0.04 1.87 1.85 1nr6A1 LYS 72 HB3 -0.03 0.11 0.07 -0.04 1.79 1.90 1nr6A1 LYS 72 HG2 -0.01 0.01 0.00 -0.04 1.46 1.42 1nr6A1 LYS 72 HG3 -0.04 -0.10 0.08 -0.04 1.46 1.36 1nr6A1 LYS 72 HD2 -0.04 0.03 0.06 -0.04 1.69 1.70 1nr6A1 LYS 72 HD3 -0.03 0.04 0.04 -0.04 1.68 1.70 1nr6A1 LYS 72 HE2 -0.03 -0.03 0.02 -0.04 2.99 2.92 1nr6A1 LYS 72 HE3 -0.05 0.01 0.07 -0.04 2.99 2.98 1nr6A1 PRO 73 HA -0.96 0.14 0.54 -0.51 4.44 3.65 1nr6A1 PRO 73 HB2 -0.30 0.04 -0.03 -0.04 2.28 1.95 1nr6A1 PRO 73 HB3 -0.44 0.03 0.05 -0.04 2.02 1.61 1nr6A1 PRO 73 HG2 -0.11 0.00 0.11 -0.04 2.03 1.99 1nr6A1 PRO 73 HG3 -0.03 0.03 0.08 -0.04 2.03 2.07 1nr6A1 PRO 73 HD2 -0.03 0.04 0.25 -0.04 3.68 3.90 1nr6A1 PRO 73 HD3 0.09 0.20 0.23 -0.04 3.65 4.12 1nr6A1 THR 74 H -0.36 0.52 0.31 -0.55 8.28 8.20 1nr6A1 THR 74 HA -0.13 0.26 0.88 -0.75 4.39 4.64 1nr6A1 THR 74 HB -0.09 -0.04 0.06 -0.04 4.32 4.22 1nr6A1 THR 74 HG23 -0.06 -0.01 -0.34 -0.04 1.22 0.77 1nr6A1 VAL 75 H -0.13 0.54 0.22 -0.55 8.24 8.31 1nr6A1 VAL 75 HA -0.20 0.21 0.87 -0.75 4.13 4.25 1nr6A1 VAL 75 HB -0.12 -0.04 0.09 -0.04 2.12 2.01 1nr6A1 VAL 75 HG13 -0.15 0.00 -0.17 -0.04 0.97 0.61 1nr6A1 VAL 75 HG23 -0.12 0.00 -0.05 -0.04 0.95 0.73 1nr6A1 VAL 76 H -0.42 0.99 0.44 -0.55 8.24 8.70 1nr6A1 VAL 76 HA -0.26 0.23 0.99 -0.75 4.13 4.34 1nr6A1 VAL 76 HB -1.59 0.01 0.05 -0.04 2.12 0.55 1nr6A1 VAL 76 HG13 -0.27 -0.02 -0.26 -0.04 0.97 0.37 1nr6A1 VAL 76 HG23 -0.19 0.00 -0.16 -0.04 0.95 0.56 1nr6A1 LEU 77 H -0.19 0.68 0.36 -0.55 8.37 8.66 1nr6A1 LEU 77 HA -0.09 0.29 0.96 -0.75 4.35 4.76 1nr6A1 LEU 77 HB2 -0.20 -0.07 0.12 -0.04 1.64 1.45 1nr6A1 LEU 77 HB3 -0.16 -0.09 -0.22 -0.04 1.64 1.13 1nr6A1 LEU 77 HG -0.25 0.03 -0.29 -0.04 1.64 1.09 1nr6A1 LEU 77 HD13 -0.52 0.01 -0.15 -0.04 0.93 0.22 1nr6A1 LEU 77 HD23 -0.31 0.03 -0.12 -0.04 0.89 0.45 1nr6A1 HIS 78 H 0.13 0.93 0.37 -0.55 8.41 9.29 1nr6A1 HIS 78 HA 0.02 0.01 0.93 -0.75 4.63 4.83 1nr6A1 HIS 78 HB2 0.19 0.05 -0.16 -0.04 3.26 3.30 1nr6A1 HIS 78 HB3 0.21 0.04 0.08 -0.04 3.20 3.48 1nr6A1 HIS 78 HD2 0.15 -0.00 -0.20 -0.04 6.97 6.87 1nr6A1 HIS 78 HE1 0.08 0.02 -0.04 -0.04 7.75 7.77 1nr6A1 GLY 79 H -0.25 0.12 0.07 -0.55 8.43 7.82 1nr6A1 GLY 79 HA2 0.05 0.09 0.33 -0.51 4.01 3.97 1nr6A1 GLY 79 HA3 0.13 0.17 0.69 -0.51 4.01 4.48 1nr6A1 TYR 80 H 0.18 0.22 0.10 -0.55 8.29 8.24 1nr6A1 TYR 80 HA -0.16 0.09 0.31 -0.75 4.56 4.04 1nr6A1 TYR 80 HB2 -0.46 0.10 0.13 -0.04 3.06 2.79 1nr6A1 TYR 80 HB3 -0.17 -0.03 0.14 -0.04 2.98 2.87 1nr6A1 TYR 80 HD2 -0.32 0.00 -0.09 -0.04 7.15 6.71 1nr6A1 TYR 80 HE2 -0.16 0.12 -0.09 -0.04 6.85 6.68 1nr6A1 GLU 81 H 0.08 0.11 -0.13 -0.55 8.60 8.11 1nr6A1 GLU 81 HA -0.24 0.07 0.34 -0.75 4.29 3.71 1nr6A1 GLU 81 HB2 0.07 0.00 0.09 -0.04 2.09 2.21 1nr6A1 GLU 81 HB3 0.04 0.03 0.07 -0.04 1.99 2.09 1nr6A1 GLU 81 HG2 0.02 0.03 -0.01 -0.04 2.34 2.34 1nr6A1 GLU 81 HG3 -0.01 0.04 -0.15 -0.04 2.34 2.18 1nr6A1 ALA 82 H 0.01 0.19 -0.26 -0.55 8.40 7.79 1nr6A1 ALA 82 HA 0.14 0.05 0.31 -0.75 4.34 4.07 1nr6A1 ALA 82 HB3 0.10 0.04 -0.01 -0.04 1.41 1.49 1nr6A1 VAL 83 H -0.12 0.52 -0.26 -0.55 8.24 7.84 1nr6A1 VAL 83 HA -0.23 0.05 0.27 -0.75 4.13 3.46 1nr6A1 VAL 83 HB -0.17 0.02 -0.02 -0.04 2.12 1.91 1nr6A1 VAL 83 HG13 -0.17 -0.01 -0.21 -0.04 0.97 0.55 1nr6A1 VAL 83 HG23 -0.12 0.05 -0.19 -0.04 0.95 0.65 1nr6A1 LYS 84 H -0.38 0.78 -0.12 -0.55 8.42 8.14 1nr6A1 LYS 84 HA -0.25 -0.01 0.34 -0.75 4.32 3.65 1nr6A1 LYS 84 HB2 -1.06 0.07 0.07 -0.04 1.87 0.92 1nr6A1 LYS 84 HB3 -0.58 0.04 0.06 -0.04 1.79 1.27 1nr6A1 LYS 84 HG2 -0.20 -0.08 0.04 -0.04 1.46 1.18 1nr6A1 LYS 84 HG3 -0.38 0.03 -0.03 -0.04 1.46 1.05 1nr6A1 LYS 84 HD2 -0.16 -0.03 -0.24 -0.04 1.69 1.22 1nr6A1 LYS 84 HD3 -0.07 -0.01 -0.06 -0.04 1.68 1.50 1nr6A1 LYS 84 HE2 -0.08 -0.01 -0.06 -0.04 2.99 2.80 1nr6A1 LYS 84 HE3 -0.34 0.04 -0.07 -0.04 2.99 2.58 1nr6A1 GLU 85 H -0.16 0.63 -0.19 -0.55 8.60 8.33 1nr6A1 GLU 85 HA -0.06 -0.07 0.31 -0.75 4.29 3.72 1nr6A1 GLU 85 HB2 -0.04 0.16 0.13 -0.04 2.09 2.30 1nr6A1 GLU 85 HB3 0.16 0.08 0.06 -0.04 1.99 2.24 1nr6A1 GLU 85 HG2 0.06 -0.02 -0.04 -0.04 2.34 2.30 1nr6A1 GLU 85 HG3 -0.03 -0.04 0.03 -0.04 2.34 2.26 1nr6A1 ALA 86 H -0.23 0.45 -0.35 -0.55 8.40 7.74 1nr6A1 ALA 86 HA -0.48 0.06 0.48 -0.75 4.34 3.65 1nr6A1 ALA 86 HB3 -1.57 0.02 -0.02 -0.04 1.41 -0.21 1nr6A1 LEU 87 H -0.34 0.61 -0.00 -0.55 8.37 8.09 1nr6A1 LEU 87 HA -0.13 0.11 0.33 -0.75 4.35 3.90 1nr6A1 LEU 87 HB2 -0.17 0.02 -0.03 -0.04 1.64 1.42 1nr6A1 LEU 87 HB3 -0.09 0.05 -0.21 -0.04 1.64 1.34 1nr6A1 LEU 87 HG -0.33 0.06 0.03 -0.04 1.64 1.36 1nr6A1 LEU 87 HD13 -0.21 0.00 -0.03 -0.04 0.93 0.64 1nr6A1 LEU 87 HD23 -0.43 -0.00 -0.08 -0.04 0.89 0.34 1nr6A1 VAL 88 H -0.11 0.51 -0.21 -0.55 8.24 7.87 1nr6A1 VAL 88 HA 0.00 0.07 0.81 -0.75 4.13 4.26 1nr6A1 VAL 88 HB -0.06 0.06 0.17 -0.04 2.12 2.26 1nr6A1 VAL 88 HG13 0.01 -0.01 -0.05 -0.04 0.97 0.87 1nr6A1 VAL 88 HG23 -0.05 -0.02 -0.05 -0.04 0.95 0.79 1nr6A1 ASP 89 H -0.04 0.33 0.07 -0.55 8.40 8.21 1nr6A1 ASP 89 HA 0.02 -0.00 0.32 -0.75 4.63 4.22 1nr6A1 ASP 89 HB2 0.01 0.31 0.23 -0.04 2.71 3.21 1nr6A1 ASP 89 HB3 0.02 -0.04 0.10 -0.04 2.70 2.74 1nr6A1 LEU 90 H 0.02 0.31 -0.42 -0.55 8.37 7.73 1nr6A1 LEU 90 HA 0.13 0.10 0.85 -0.75 4.35 4.67 1nr6A1 LEU 90 HB2 0.22 0.11 0.19 -0.04 1.64 2.12 1nr6A1 LEU 90 HB3 0.37 -0.14 0.19 -0.04 1.64 2.01 1nr6A1 LEU 90 HG 0.14 0.02 -0.25 -0.04 1.64 1.51 1nr6A1 LEU 90 HD13 0.41 -0.02 -0.06 -0.04 0.93 1.22 1nr6A1 LEU 90 HD23 0.13 0.01 0.03 -0.04 0.89 1.02 1nr6A1 GLY 91 H 0.08 0.48 -0.43 -0.55 8.43 8.01 1nr6A1 GLY 91 HA2 0.10 0.22 0.27 -0.51 4.01 4.09 1nr6A1 GLY 91 HA3 0.10 0.03 0.31 -0.51 4.01 3.94 1nr6A1 GLU 92 H 0.11 0.12 -0.15 -0.55 8.60 8.13 1nr6A1 GLU 92 HA 0.12 0.10 0.52 -0.75 4.29 4.28 1nr6A1 GLU 92 HB2 0.09 0.01 0.09 -0.04 2.09 2.24 1nr6A1 GLU 92 HB3 0.07 0.00 0.07 -0.04 1.99 2.09 1nr6A1 GLU 92 HG2 0.06 0.00 -0.02 -0.04 2.34 2.34 1nr6A1 GLU 92 HG3 0.05 0.01 -0.18 -0.04 2.34 2.18 1nr6A1 GLU 93 H 0.11 0.20 -0.17 -0.55 8.60 8.20 1nr6A1 GLU 93 HA -0.07 -0.03 0.38 -0.75 4.29 3.82 1nr6A1 GLU 93 HB2 0.14 0.22 0.15 -0.04 2.09 2.56 1nr6A1 GLU 93 HB3 -0.25 0.00 0.03 -0.04 1.99 1.73 1nr6A1 GLU 93 HG2 0.04 0.02 0.02 -0.04 2.34 2.38 1nr6A1 GLU 93 HG3 -0.02 -0.00 -0.01 -0.04 2.34 2.27 1nr6A1 PHE 94 H 0.28 0.44 -0.26 -0.55 8.34 8.25 1nr6A1 PHE 94 HA -0.04 0.12 0.65 -0.75 4.62 4.59 1nr6A1 PHE 94 HB2 -0.04 0.18 -0.13 -0.04 3.15 3.11 1nr6A1 PHE 94 HB3 -0.06 -0.05 0.02 -0.04 3.06 2.93 1nr6A1 PHE 94 HD2 -0.11 0.17 -0.08 -0.04 7.28 7.22 1nr6A1 PHE 94 HE2 -0.19 -0.00 -0.11 -0.04 7.38 7.04 1nr6A1 PHE 94 HZ -0.61 -0.01 -0.12 -0.04 7.32 6.53 1nr6A1 ALA 95 H 0.04 0.28 -0.41 -0.55 8.40 7.75 1nr6A1 ALA 95 HA -0.02 0.05 0.48 -0.75 4.34 4.10 1nr6A1 ALA 95 HB3 -0.00 0.02 0.15 -0.04 1.41 1.53 1nr6A1 GLY 96 H -0.11 0.22 -0.42 -0.55 8.43 7.57 1nr6A1 GLY 96 HA2 -0.32 -0.05 0.54 -0.51 4.01 3.66 1nr6A1 GLY 96 HA3 -0.17 0.08 0.16 -0.51 4.01 3.56 1nr6A1 ARG 97 H -0.28 0.07 0.12 -0.55 8.46 7.82 1nr6A1 ARG 97 HA -0.29 0.20 0.80 -0.75 4.34 4.29 1nr6A1 ARG 97 HB2 -0.31 0.06 0.10 -0.04 1.90 1.71 1nr6A1 ARG 97 HB3 -0.13 -0.08 0.06 -0.04 1.80 1.61 1nr6A1 ARG 97 HG2 0.12 -0.05 0.22 -0.04 1.67 1.92 1nr6A1 ARG 97 HG3 0.06 0.09 -0.15 -0.04 1.67 1.64 1nr6A1 ARG 97 HD2 0.12 -0.15 0.02 -0.04 3.22 3.17 1nr6A1 ARG 97 HD3 -0.12 0.25 0.21 -0.04 3.22 3.53 1nr6A1 GLY 98 H -0.09 0.56 -0.16 -0.55 8.43 8.20 1nr6A1 GLY 98 HA2 -0.04 0.02 0.17 -0.51 4.01 3.65 1nr6A1 GLY 98 HA3 -0.00 0.11 -0.05 -0.51 4.01 3.56 1nr6A1 SER 99 H 0.00 0.09 0.08 -0.55 8.46 8.09 1nr6A1 SER 99 HA 0.00 -0.04 0.32 -0.75 4.49 4.03 1nr6A1 SER 99 HB2 0.00 0.04 0.15 -0.04 3.95 4.10 1nr6A1 SER 99 HB3 0.03 -0.03 0.17 -0.04 3.93 4.06 1nr6A1 VAL 100 H -0.03 0.06 0.02 -0.55 8.24 7.74 1nr6A1 VAL 100 HA 0.07 0.17 0.59 -0.75 4.13 4.21 1nr6A1 VAL 100 HB 0.02 0.17 -0.12 -0.04 2.12 2.15 1nr6A1 VAL 100 HG13 -0.13 0.03 0.02 -0.04 0.97 0.84 1nr6A1 VAL 100 HG23 -0.55 -0.05 0.03 -0.04 0.95 0.33 1nr6A1 PRO 101 HA -0.01 -0.05 0.31 -0.51 4.44 4.18 1nr6A1 PRO 101 HB2 0.36 -0.00 -0.11 -0.04 2.28 2.49 1nr6A1 PRO 101 HB3 0.13 0.16 -0.33 -0.04 2.02 1.94 1nr6A1 PRO 101 HG2 0.17 -0.08 -0.21 -0.04 2.03 1.86 1nr6A1 PRO 101 HG3 0.08 0.04 -0.11 -0.04 2.03 1.99 1nr6A1 PRO 101 HD2 0.26 0.33 -0.01 -0.04 3.68 4.22 1nr6A1 PRO 101 HD3 0.09 0.11 -0.66 -0.04 3.65 3.15 1nr6A1 ILE 102 H -0.02 0.17 0.10 -0.55 8.25 7.94 1nr6A1 ILE 102 HA -0.02 0.04 0.41 -0.75 4.18 3.86 1nr6A1 ILE 102 HB -0.26 0.23 0.39 -0.04 1.89 2.22 1nr6A1 ILE 102 HG12 0.13 0.00 0.00 -0.04 1.49 1.58 1nr6A1 ILE 102 HG13 -0.13 -0.12 -0.42 -0.04 1.21 0.50 1nr6A1 ILE 102 HG23 -0.15 0.01 -0.04 -0.04 0.93 0.70 1nr6A1 ILE 102 HD13 -0.45 0.02 -0.06 -0.04 0.88 0.35 1nr6A1 LEU 103 H -0.18 0.74 -0.09 -0.55 8.37 8.30 1nr6A1 LEU 103 HA -0.11 0.01 0.40 -0.75 4.35 3.90 1nr6A1 LEU 103 HB2 -0.46 0.17 0.05 -0.04 1.64 1.36 1nr6A1 LEU 103 HB3 -0.40 -0.04 -0.02 -0.04 1.64 1.15 1nr6A1 LEU 103 HG -0.10 -0.07 0.10 -0.04 1.64 1.54 1nr6A1 LEU 103 HD13 0.05 0.07 0.05 -0.04 0.93 1.06 1nr6A1 LEU 103 HD23 0.03 -0.00 0.03 -0.04 0.89 0.91 1nr6A1 GLU 104 H -0.33 0.56 -0.12 -0.55 8.60 8.17 1nr6A1 GLU 104 HA -0.17 0.07 0.42 -0.75 4.29 3.85 1nr6A1 GLU 104 HB2 -0.05 0.08 -0.01 -0.04 2.09 2.07 1nr6A1 GLU 104 HB3 -0.28 0.15 0.03 -0.04 1.99 1.86 1nr6A1 GLU 104 HG2 -0.10 -0.23 -0.15 -0.04 2.34 1.82 1nr6A1 GLU 104 HG3 -0.04 0.00 -0.25 -0.04 2.34 2.01 1nr6A1 LYS 105 H -0.07 -0.02 -0.41 -0.55 8.42 7.37 1nr6A1 LYS 105 HA 0.00 0.05 0.46 -0.75 4.32 4.08 1nr6A1 LYS 105 HB2 -0.01 -0.11 0.08 -0.04 1.87 1.79 1nr6A1 LYS 105 HB3 -0.01 0.12 0.11 -0.04 1.79 1.97 1nr6A1 LYS 105 HG2 0.01 0.03 -0.08 -0.04 1.46 1.38 1nr6A1 LYS 105 HG3 0.01 -0.00 0.04 -0.04 1.46 1.47 1nr6A1 LYS 105 HD2 0.04 -0.01 0.02 -0.04 1.69 1.70 1nr6A1 LYS 105 HD3 0.03 0.02 -0.01 -0.04 1.68 1.68 1nr6A1 LYS 105 HE2 0.01 0.02 -0.01 -0.04 2.99 2.97 1nr6A1 LYS 105 HE3 0.01 -0.07 0.01 -0.04 2.99 2.90 1nr6A1 VAL 106 H -0.04 0.65 -0.04 -0.55 8.24 8.27 1nr6A1 VAL 106 HA -0.00 0.05 0.52 -0.75 4.13 3.95 1nr6A1 VAL 106 HB -0.03 -0.02 0.07 -0.04 2.12 2.09 1nr6A1 VAL 106 HG13 0.00 0.01 0.02 -0.04 0.97 0.96 1nr6A1 VAL 106 HG23 0.00 -0.02 -0.01 -0.04 0.95 0.88 1nr6A1 SER 107 H 0.05 0.30 -0.54 -0.55 8.46 7.73 1nr6A1 SER 107 HA 0.08 0.00 0.32 -0.75 4.49 4.14 1nr6A1 SER 107 HB2 0.18 0.20 0.08 -0.04 3.95 4.37 1nr6A1 SER 107 HB3 0.14 0.12 -0.04 -0.04 3.93 4.11 1nr6A1 LYS 108 H 0.04 0.32 -0.43 -0.55 8.42 7.79 1nr6A1 LYS 108 HA 0.03 0.05 0.29 -0.75 4.32 3.94 1nr6A1 LYS 108 HB2 0.03 0.07 -0.11 -0.04 1.87 1.82 1nr6A1 LYS 108 HB3 0.02 -0.07 0.17 -0.04 1.79 1.87 1nr6A1 LYS 108 HG2 0.02 -0.01 0.01 -0.04 1.46 1.43 1nr6A1 LYS 108 HG3 0.02 0.22 -0.26 -0.04 1.46 1.40 1nr6A1 LYS 108 HD2 0.02 -0.01 -0.09 -0.04 1.69 1.57 1nr6A1 LYS 108 HD3 0.02 -0.07 -0.02 -0.04 1.68 1.56 1nr6A1 LYS 108 HE2 0.01 -0.07 -0.01 -0.04 2.99 2.87 1nr6A1 LYS 108 HE3 0.01 -0.03 -0.01 -0.04 2.99 2.93 1nr6A1 GLY 109 H 0.06 0.26 -0.25 -0.55 8.43 7.95 1nr6A1 GLY 109 HA2 0.06 0.08 0.24 -0.51 4.01 3.88 1nr6A1 GLY 109 HA3 0.04 0.03 0.42 -0.51 4.01 3.98 1nr6A1 LEU 110 H 0.06 0.47 -0.66 -0.55 8.37 7.69 1nr6A1 LEU 110 HA 0.04 0.13 0.75 -0.75 4.35 4.51 1nr6A1 LEU 110 HB2 0.04 0.20 0.04 -0.04 1.64 1.88 1nr6A1 LEU 110 HB3 0.02 -0.21 0.18 -0.04 1.64 1.59 1nr6A1 LEU 110 HG 0.03 0.24 -0.11 -0.04 1.64 1.76 1nr6A1 LEU 110 HD13 0.02 -0.04 -0.06 -0.04 0.93 0.81 1nr6A1 LEU 110 HD23 0.01 0.00 -0.03 -0.04 0.89 0.83 1nr6A1 GLY 111 H 0.03 0.11 0.15 -0.55 8.43 8.17 1nr6A1 GLY 111 HA2 0.05 0.01 0.28 -0.51 4.01 3.84 1nr6A1 GLY 111 HA3 0.05 0.07 0.48 -0.51 4.01 4.10 1nr6A1 ILE 112 H 0.01 -0.00 0.16 -0.55 8.25 7.87 1nr6A1 ILE 112 HA 0.19 0.29 0.98 -0.75 4.18 4.89 1nr6A1 ILE 112 HB 0.02 -0.09 0.08 -0.04 1.89 1.86 1nr6A1 ILE 112 HG12 0.11 0.06 -0.31 -0.04 1.49 1.32 1nr6A1 ILE 112 HG13 0.09 -0.19 -0.26 -0.04 1.21 0.82 1nr6A1 ILE 112 HG23 0.13 0.03 -0.17 -0.04 0.93 0.88 1nr6A1 ILE 112 HD13 0.10 0.01 -0.05 -0.04 0.88 0.90 1nr6A1 ALA 113 H -0.16 -0.02 0.15 -0.55 8.40 7.83 1nr6A1 ALA 113 HA -0.20 0.17 0.45 -0.75 4.34 4.01 1nr6A1 ALA 113 HB3 -0.78 0.00 0.09 -0.04 1.41 0.68 1nr6A1 PHE 114 H -0.18 -0.03 -0.19 -0.55 8.34 7.39 1nr6A1 PHE 114 HA -0.06 0.34 0.90 -0.75 4.62 5.04 1nr6A1 PHE 114 HB2 -0.00 -0.01 -0.02 -0.04 3.15 3.08 1nr6A1 PHE 114 HB3 -0.02 -0.02 0.11 -0.04 3.06 3.09 1nr6A1 PHE 114 HD2 -0.03 0.12 -0.13 -0.04 7.28 7.20 1nr6A1 PHE 114 HE2 -0.07 0.03 -0.08 -0.04 7.38 7.22 1nr6A1 PHE 114 HZ -0.13 0.02 -0.05 -0.04 7.32 7.12 1nr6A1 SER 115 H 0.07 0.04 -0.53 -0.55 8.46 7.50 1nr6A1 SER 115 HA 0.09 0.11 0.46 -0.75 4.49 4.39 1nr6A1 SER 115 HB2 0.15 -0.07 -0.12 -0.04 3.95 3.87 1nr6A1 SER 115 HB3 0.12 0.03 -0.66 -0.04 3.93 3.37 1nr6A1 ASN 116 H 0.10 0.23 0.17 -0.55 8.53 8.49 1nr6A1 ASN 116 HA -0.07 0.24 0.66 -0.75 4.76 4.84 1nr6A1 ASN 116 HB2 0.00 -0.02 -0.01 -0.04 2.88 2.82 1nr6A1 ASN 116 HB3 -0.03 -0.07 0.10 -0.04 2.79 2.75 1nr6A1 ASN 116 HD21 -0.05 0.24 -0.10 -0.04 7.03 7.07 1nr6A1 ASN 116 HD22 -0.01 -0.09 -0.18 -0.04 7.74 7.41 1nr6A1 ALA 117 H 0.09 0.24 0.13 -0.55 8.40 8.32 1nr6A1 ALA 117 HA 0.18 0.12 0.35 -0.75 4.34 4.25 1nr6A1 ALA 117 HB3 0.07 0.04 0.08 -0.04 1.41 1.56 1nr6A1 LYS 118 H 0.09 0.17 0.23 -0.55 8.42 8.35 1nr6A1 LYS 118 HA 0.07 0.07 0.47 -0.75 4.32 4.17 1nr6A1 LYS 118 HB2 0.05 0.04 0.16 -0.04 1.87 2.07 1nr6A1 LYS 118 HB3 0.05 0.01 0.18 -0.04 1.79 1.99 1nr6A1 LYS 118 HG2 0.03 0.00 -0.26 -0.04 1.46 1.19 1nr6A1 LYS 118 HG3 0.03 -0.00 0.03 -0.04 1.46 1.48 1nr6A1 LYS 118 HD2 0.03 0.02 0.03 -0.04 1.69 1.73 1nr6A1 LYS 118 HD3 0.03 0.02 0.02 -0.04 1.68 1.70 1nr6A1 LYS 118 HE2 0.03 0.00 -0.00 -0.04 2.99 2.98 1nr6A1 LYS 118 HE3 0.02 0.03 0.01 -0.04 2.99 3.02 1nr6A1 THR 119 H 0.08 0.19 0.03 -0.55 8.28 8.04 1nr6A1 THR 119 HA 0.01 -0.01 0.45 -0.75 4.39 4.09 1nr6A1 THR 119 HB 0.09 0.12 0.17 -0.04 4.32 4.66 1nr6A1 THR 119 HG23 0.03 0.06 0.04 -0.04 1.22 1.30 1nr6A1 TRP 120 H 0.28 0.31 -0.51 -0.55 7.97 7.50 1nr6A1 TRP 120 HA -0.00 0.14 0.38 -0.75 4.62 4.38 1nr6A1 TRP 120 HB2 -0.00 -0.02 -0.57 -0.04 3.23 2.60 1nr6A1 TRP 120 HB3 0.00 0.03 -0.28 -0.04 3.23 2.94 1nr6A1 TRP 120 HD1 -0.02 0.14 0.03 -0.04 7.22 7.33 1nr6A1 TRP 120 HE1 -0.03 -0.01 -0.05 -0.04 10.20 10.08 1nr6A1 TRP 120 HE3 0.01 -0.04 -0.02 -0.04 7.59 7.49 1nr6A1 TRP 120 HZ2 0.01 0.25 -0.07 -0.04 7.44 7.59 1nr6A1 TRP 120 HZ3 0.02 -0.09 -0.01 -0.04 7.13 7.01 1nr6A1 TRP 120 HH2 0.02 -0.09 -0.07 -0.04 7.19 7.02 1nr6A1 LYS 121 H 0.10 0.62 -0.06 -0.55 8.42 8.53 1nr6A1 LYS 121 HA -0.88 0.04 0.32 -0.75 4.32 3.05 1nr6A1 LYS 121 HB2 -0.01 0.04 0.17 -0.04 1.87 2.03 1nr6A1 LYS 121 HB3 -0.12 -0.03 -0.03 -0.04 1.79 1.57 1nr6A1 LYS 121 HG2 -0.25 -0.01 0.03 -0.04 1.46 1.20 1nr6A1 LYS 121 HG3 -0.02 0.05 0.02 -0.04 1.46 1.47 1nr6A1 LYS 121 HD2 0.08 0.00 -0.02 -0.04 1.69 1.71 1nr6A1 LYS 121 HD3 0.10 -0.05 -0.09 -0.04 1.68 1.59 1nr6A1 LYS 121 HE2 0.02 -0.02 -0.02 -0.04 2.99 2.93 1nr6A1 LYS 121 HE3 -0.01 -0.00 -0.02 -0.04 2.99 2.92 1nr6A1 GLU 122 H -0.06 0.57 -0.23 -0.55 8.60 8.33 1nr6A1 GLU 122 HA 0.00 0.02 0.46 -0.75 4.29 4.02 1nr6A1 GLU 122 HB2 -0.02 0.11 0.13 -0.04 2.09 2.26 1nr6A1 GLU 122 HB3 0.15 -0.06 -0.00 -0.04 1.99 2.03 1nr6A1 GLU 122 HG2 0.04 -0.03 0.01 -0.04 2.34 2.32 1nr6A1 GLU 122 HG3 0.02 0.17 0.08 -0.04 2.34 2.57 1nr6A1 MET 123 H -0.08 0.54 -0.07 -0.55 8.47 8.32 1nr6A1 MET 123 HA 0.05 -0.02 0.48 -0.75 4.52 4.27 1nr6A1 MET 123 HB2 0.01 0.21 0.22 -0.04 2.15 2.55 1nr6A1 MET 123 HB3 0.08 -0.16 -0.06 -0.04 2.03 1.84 1nr6A1 MET 123 HG2 -0.13 0.14 0.17 -0.04 2.63 2.76 1nr6A1 MET 123 HG3 -0.02 0.01 0.12 -0.04 2.56 2.63 1nr6A1 MET 123 HE3 0.07 -0.05 0.03 -0.04 2.10 2.11 1nr6A1 ARG 124 H -0.28 0.85 -0.05 -0.55 8.46 8.43 1nr6A1 ARG 124 HA -0.05 -0.03 0.38 -0.75 4.34 3.89 1nr6A1 ARG 124 HB2 -0.59 0.04 0.04 -0.04 1.90 1.35 1nr6A1 ARG 124 HB3 -0.75 0.05 0.06 -0.04 1.80 1.13 1nr6A1 ARG 124 HG2 -0.17 -0.07 -0.21 -0.04 1.67 1.18 1nr6A1 ARG 124 HG3 -0.05 -0.07 0.00 -0.04 1.67 1.51 1nr6A1 ARG 124 HD2 0.15 0.04 -0.01 -0.04 3.22 3.36 1nr6A1 ARG 124 HD3 -0.61 -0.05 -0.03 -0.04 3.22 2.49 1nr6A1 ARG 125 H -0.16 0.62 -0.10 -0.55 8.46 8.26 1nr6A1 ARG 125 HA -0.08 0.01 0.38 -0.75 4.34 3.90 1nr6A1 ARG 125 HB2 -0.11 0.08 0.15 -0.04 1.90 1.99 1nr6A1 ARG 125 HB3 -0.01 0.04 0.17 -0.04 1.80 1.96 1nr6A1 ARG 125 HG2 -0.02 -0.02 -0.14 -0.04 1.67 1.45 1nr6A1 ARG 125 HG3 -0.05 -0.03 0.04 -0.04 1.67 1.59 1nr6A1 ARG 125 HD2 -0.01 0.00 -0.02 -0.04 3.22 3.15 1nr6A1 ARG 125 HD3 -0.02 -0.02 -0.03 -0.04 3.22 3.11 1nr6A1 PHE 126 H 0.19 0.58 -0.17 -0.55 8.34 8.40 1nr6A1 PHE 126 HA -0.02 0.00 0.35 -0.75 4.62 4.20 1nr6A1 PHE 126 HB2 0.18 -0.01 0.11 -0.04 3.15 3.39 1nr6A1 PHE 126 HB3 0.14 0.11 0.17 -0.04 3.06 3.44 1nr6A1 PHE 126 HD2 -0.01 0.02 -0.08 -0.04 7.28 7.17 1nr6A1 PHE 126 HE2 -0.73 0.03 -0.13 -0.04 7.38 6.50 1nr6A1 PHE 126 HZ -0.31 -0.01 -0.18 -0.04 7.32 6.78 1nr6A1 SER 127 H 0.18 0.59 -0.20 -0.55 8.46 8.49 1nr6A1 SER 127 HA 0.10 -0.02 0.48 -0.75 4.49 4.30 1nr6A1 SER 127 HB2 0.10 0.13 0.13 -0.04 3.95 4.27 1nr6A1 SER 127 HB3 0.15 -0.10 -0.01 -0.04 3.93 3.93 1nr6A1 LEU 128 H -0.03 0.65 -0.10 -0.55 8.37 8.35 1nr6A1 LEU 128 HA -0.04 0.05 0.48 -0.75 4.35 4.08 1nr6A1 LEU 128 HB2 -0.05 0.11 0.17 -0.04 1.64 1.82 1nr6A1 LEU 128 HB3 -0.04 -0.07 -0.02 -0.04 1.64 1.47 1nr6A1 LEU 128 HG -0.03 0.07 0.05 -0.04 1.64 1.69 1nr6A1 LEU 128 HD13 -0.04 -0.01 -0.07 -0.04 0.93 0.76 1nr6A1 LEU 128 HD23 -0.02 -0.01 0.04 -0.04 0.89 0.86 1nr6A1 MET 129 H -0.12 0.52 -0.14 -0.55 8.47 8.19 1nr6A1 MET 129 HA -0.08 -0.00 0.41 -0.75 4.52 4.10 1nr6A1 MET 129 HB2 -0.08 -0.02 0.09 -0.04 2.15 2.10 1nr6A1 MET 129 HB3 -0.17 0.11 0.13 -0.04 2.03 2.06 1nr6A1 MET 129 HG2 -0.08 -0.04 -0.01 -0.04 2.63 2.46 1nr6A1 MET 129 HG3 -0.12 0.05 -0.16 -0.04 2.56 2.29 1nr6A1 MET 129 HE3 -0.04 -0.01 -0.00 -0.04 2.10 2.01 1nr6A1 THR 130 H -0.32 0.40 -0.22 -0.55 8.28 7.59 1nr6A1 THR 130 HA -0.20 0.14 0.53 -0.75 4.39 4.11 1nr6A1 THR 130 HB -0.41 0.01 0.14 -0.04 4.32 4.02 1nr6A1 THR 130 HG23 -0.19 -0.02 -0.08 -0.04 1.22 0.89 1nr6A1 LEU 131 H -0.06 0.54 -0.20 -0.55 8.37 8.10 1nr6A1 LEU 131 HA -0.01 0.11 0.52 -0.75 4.35 4.21 1nr6A1 LEU 131 HB2 -0.02 0.19 0.14 -0.04 1.64 1.91 1nr6A1 LEU 131 HB3 -0.04 -0.16 0.18 -0.04 1.64 1.58 1nr6A1 LEU 131 HG 0.13 0.05 0.03 -0.04 1.64 1.80 1nr6A1 LEU 131 HD13 -0.05 -0.04 -0.06 -0.04 0.93 0.73 1nr6A1 LEU 131 HD23 -0.02 -0.01 -0.07 -0.04 0.89 0.75 1nr6A1 ARG 132 H -0.04 0.28 -0.68 -0.55 8.46 7.46 1nr6A1 ARG 132 HA -0.03 0.07 0.56 -0.75 4.34 4.18 1nr6A1 ARG 132 HB2 -0.00 0.06 0.00 -0.04 1.90 1.92 1nr6A1 ARG 132 HB3 0.01 -0.18 0.04 -0.04 1.80 1.64 1nr6A1 ARG 132 HG2 -0.02 -0.08 0.04 -0.04 1.67 1.56 1nr6A1 ARG 132 HG3 -0.04 0.29 0.04 -0.04 1.67 1.93 1nr6A1 ARG 132 HD2 -0.03 0.33 0.11 -0.04 3.22 3.59 1nr6A1 ARG 132 HD3 -0.00 -0.12 -0.01 -0.04 3.22 3.05 1nr6A1 ASN 133 H -0.02 0.15 0.14 -0.55 8.53 8.26 1nr6A1 ASN 133 HA -0.13 0.01 0.37 -0.75 4.76 4.27 1nr6A1 ASN 133 HB2 -0.05 0.06 0.16 -0.04 2.88 3.01 1nr6A1 ASN 133 HB3 0.05 0.05 0.13 -0.04 2.79 2.97 1nr6A1 ASN 133 HD21 -0.20 -0.05 0.02 -0.04 7.03 6.76 1nr6A1 ASN 133 HD22 0.10 0.09 -0.00 -0.04 7.74 7.89 1nr6A1 PHE 134 H 0.15 0.08 -0.23 -0.55 8.34 7.79 1nr6A1 PHE 134 HA -0.01 0.26 0.82 -0.75 4.62 4.93 1nr6A1 PHE 134 HB2 -0.02 -0.05 0.04 -0.04 3.15 3.09 1nr6A1 PHE 134 HB3 -0.01 0.08 0.13 -0.04 3.06 3.22 1nr6A1 PHE 134 HD2 -0.01 0.09 -0.05 -0.04 7.28 7.26 1nr6A1 PHE 134 HE2 -0.01 0.09 0.03 -0.04 7.38 7.46 1nr6A1 PHE 134 HZ -0.01 -0.02 0.02 -0.04 7.32 7.28 1nr6A1 GLY 135 H 0.01 0.55 -0.42 -0.55 8.43 8.03 1nr6A1 GLY 135 HA2 0.02 0.01 0.35 -0.51 4.01 3.88 1nr6A1 GLY 135 HA3 -0.02 0.18 0.34 -0.51 4.01 4.00 1nr6A1 MET 136 H 0.03 0.09 -0.49 -0.55 8.47 7.55 1nr6A1 MET 136 HA 0.03 0.19 0.82 -0.75 4.52 4.81 1nr6A1 MET 136 HB2 0.05 0.06 -0.06 -0.04 2.15 2.16 1nr6A1 MET 136 HB3 0.08 -0.14 -0.37 -0.04 2.03 1.55 1nr6A1 MET 136 HG2 0.05 -0.03 -0.37 -0.04 2.63 2.23 1nr6A1 MET 136 HG3 0.01 0.13 -0.52 -0.04 2.56 2.15 1nr6A1 MET 136 HE3 -0.00 -0.00 -0.03 -0.04 2.10 2.02 1nr6A1 GLY 137 H 0.07 0.16 -0.15 -0.55 8.43 7.96 1nr6A1 GLY 137 HA2 0.06 0.00 0.30 -0.51 4.01 3.87 1nr6A1 GLY 137 HA3 0.06 0.17 0.71 -0.51 4.01 4.44 1nr6A1 LYS 138 H 0.08 0.13 0.13 -0.55 8.42 8.20 1nr6A1 LYS 138 HA 0.21 0.06 0.32 -0.75 4.32 4.15 1nr6A1 LYS 138 HB2 0.07 0.01 0.12 -0.04 1.87 2.03 1nr6A1 LYS 138 HB3 0.09 -0.02 0.03 -0.04 1.79 1.85 1nr6A1 LYS 138 HG2 0.05 0.01 0.04 -0.04 1.46 1.51 1nr6A1 LYS 138 HG3 0.05 0.01 0.07 -0.04 1.46 1.54 1nr6A1 LYS 138 HD2 0.03 0.01 0.03 -0.04 1.69 1.72 1nr6A1 LYS 138 HD3 0.04 -0.01 0.02 -0.04 1.68 1.68 1nr6A1 LYS 138 HE2 0.01 0.02 0.01 -0.04 2.99 3.00 1nr6A1 LYS 138 HE3 0.01 -0.01 0.01 -0.04 2.99 2.96 1nr6A1 ARG 139 H 0.10 0.14 -0.22 -0.55 8.46 7.93 1nr6A1 ARG 139 HA 0.03 -0.02 0.62 -0.75 4.34 4.22 1nr6A1 ARG 139 HB2 0.10 -0.05 0.08 -0.04 1.90 1.99 1nr6A1 ARG 139 HB3 0.11 0.13 0.14 -0.04 1.80 2.14 1nr6A1 ARG 139 HG2 -0.04 0.08 -0.14 -0.04 1.67 1.53 1nr6A1 ARG 139 HG3 -0.01 -0.08 -0.01 -0.04 1.67 1.53 1nr6A1 ARG 139 HD2 0.03 -0.03 -0.01 -0.04 3.22 3.17 1nr6A1 ARG 139 HD3 -0.01 0.08 0.00 -0.04 3.22 3.25 1nr6A1 SER 140 H -0.18 0.08 0.19 -0.55 8.46 8.00 1nr6A1 SER 140 HA -0.48 0.36 0.59 -0.75 4.49 4.21 1nr6A1 SER 140 HB2 -0.91 -0.09 0.11 -0.04 3.95 3.02 1nr6A1 SER 140 HB3 -2.01 0.14 0.08 -0.04 3.93 2.09 1nr6A1 ILE 141 H -0.28 0.69 0.37 -0.55 8.25 8.48 1nr6A1 ILE 141 HA -0.11 0.14 0.45 -0.75 4.18 3.90 1nr6A1 ILE 141 HB -0.14 -0.12 0.15 -0.04 1.89 1.74 1nr6A1 ILE 141 HG12 -0.07 0.01 0.02 -0.04 1.49 1.41 1nr6A1 ILE 141 HG13 -0.11 0.23 0.10 -0.04 1.21 1.39 1nr6A1 ILE 141 HG23 -0.09 -0.01 -0.06 -0.04 0.93 0.72 1nr6A1 ILE 141 HD13 -0.06 -0.03 -0.21 -0.04 0.88 0.54 1nr6A1 GLU 142 H -0.22 0.10 -0.09 -0.55 8.60 7.84 1nr6A1 GLU 142 HA -0.10 0.08 0.28 -0.75 4.29 3.80 1nr6A1 GLU 142 HB2 -0.10 0.02 0.10 -0.04 2.09 2.06 1nr6A1 GLU 142 HB3 -0.14 0.00 0.07 -0.04 1.99 1.88 1nr6A1 GLU 142 HG2 -0.04 0.08 -0.26 -0.04 2.34 2.07 1nr6A1 GLU 142 HG3 -0.04 0.01 0.03 -0.04 2.34 2.31 1nr6A1 ASP 143 H -0.15 0.10 -0.33 -0.55 8.40 7.47 1nr6A1 ASP 143 HA -0.04 0.04 0.36 -0.75 4.63 4.24 1nr6A1 ASP 143 HB2 -0.08 0.23 0.04 -0.04 2.71 2.86 1nr6A1 ASP 143 HB3 -0.03 0.02 0.00 -0.04 2.70 2.65 1nr6A1 ARG 144 H -0.09 0.44 -0.33 -0.55 8.46 7.93 1nr6A1 ARG 144 HA -0.06 0.02 0.40 -0.75 4.34 3.94 1nr6A1 ARG 144 HB2 -0.07 0.11 0.12 -0.04 1.90 2.02 1nr6A1 ARG 144 HB3 -0.06 -0.06 -0.00 -0.04 1.80 1.63 1nr6A1 ARG 144 HG2 -0.11 -0.06 -0.06 -0.04 1.67 1.39 1nr6A1 ARG 144 HG3 -0.09 0.27 -0.03 -0.04 1.67 1.79 1nr6A1 ARG 144 HD2 -0.06 -0.09 -0.13 -0.04 3.22 2.90 1nr6A1 ARG 144 HD3 -0.08 0.03 -0.21 -0.04 3.22 2.92 1nr6A1 ILE 145 H -0.07 0.54 -0.12 -0.55 8.25 8.04 1nr6A1 ILE 145 HA -0.02 0.01 0.42 -0.75 4.18 3.84 1nr6A1 ILE 145 HB -0.13 0.06 0.08 -0.04 1.89 1.87 1nr6A1 ILE 145 HG12 -0.10 -0.04 -0.02 -0.04 1.49 1.29 1nr6A1 ILE 145 HG13 -0.09 0.15 0.03 -0.04 1.21 1.26 1nr6A1 ILE 145 HG23 -0.43 -0.01 -0.18 -0.04 0.93 0.27 1nr6A1 ILE 145 HD13 -0.13 -0.04 -0.10 -0.04 0.88 0.58 1nr6A1 GLN 146 H -0.04 0.57 -0.17 -0.55 8.47 8.28 1nr6A1 GLN 146 HA 0.00 0.04 0.36 -0.75 4.36 4.01 1nr6A1 GLN 146 HB2 -0.01 0.08 0.18 -0.04 2.15 2.35 1nr6A1 GLN 146 HB3 0.01 -0.02 -0.01 -0.04 2.02 1.96 1nr6A1 GLN 146 HG2 0.00 0.13 0.04 -0.04 2.40 2.53 1nr6A1 GLN 146 HG3 -0.02 0.01 0.03 -0.04 2.39 2.37 1nr6A1 GLN 146 HE21 0.02 -0.09 -0.02 -0.04 6.97 6.84 1nr6A1 GLN 146 HE22 0.03 0.48 0.12 -0.04 7.69 8.27 1nr6A1 GLU 147 H -0.00 0.55 -0.16 -0.55 8.60 8.45 1nr6A1 GLU 147 HA 0.01 0.03 0.43 -0.75 4.29 4.00 1nr6A1 GLU 147 HB2 -0.02 0.04 0.11 -0.04 2.09 2.18 1nr6A1 GLU 147 HB3 -0.02 0.13 0.12 -0.04 1.99 2.18 1nr6A1 GLU 147 HG2 -0.02 -0.06 -0.15 -0.04 2.34 2.06 1nr6A1 GLU 147 HG3 -0.02 -0.02 0.03 -0.04 2.34 2.29 1nr6A1 GLU 148 H 0.07 0.47 -0.24 -0.55 8.60 8.36 1nr6A1 GLU 148 HA 0.09 -0.02 0.42 -0.75 4.29 4.02 1nr6A1 GLU 148 HB2 0.13 0.07 0.07 -0.04 2.09 2.32 1nr6A1 GLU 148 HB3 0.34 0.11 0.08 -0.04 1.99 2.48 1nr6A1 GLU 148 HG2 0.26 0.14 0.03 -0.04 2.34 2.73 1nr6A1 GLU 148 HG3 0.17 -0.07 -0.03 -0.04 2.34 2.38 1nr6A1 ALA 149 H 0.20 0.56 -0.21 -0.55 8.40 8.41 1nr6A1 ALA 149 HA 0.43 -0.02 0.41 -0.75 4.34 4.41 1nr6A1 ALA 149 HB3 0.16 0.05 0.04 -0.04 1.41 1.61 1nr6A1 ARG 150 H 0.09 0.44 -0.29 -0.55 8.46 8.14 1nr6A1 ARG 150 HA 0.06 0.08 0.50 -0.75 4.34 4.22 1nr6A1 ARG 150 HB2 0.03 0.16 0.18 -0.04 1.90 2.22 1nr6A1 ARG 150 HB3 0.02 -0.06 0.04 -0.04 1.80 1.76 1nr6A1 ARG 150 HG2 0.03 -0.02 0.02 -0.04 1.67 1.67 1nr6A1 ARG 150 HG3 0.04 0.26 0.09 -0.04 1.67 2.02 1nr6A1 ARG 150 HD2 0.02 -0.02 0.00 -0.04 3.22 3.18 1nr6A1 ARG 150 HD3 0.02 -0.03 -0.02 -0.04 3.22 3.15 1nr6A1 CYS 151 H 0.05 0.43 -0.08 -0.55 8.50 8.35 1nr6A1 CYS 151 HA -0.03 0.01 0.43 -0.75 4.58 4.23 1nr6A1 CYS 151 HB2 0.01 0.12 0.17 -0.04 2.97 3.23 1nr6A1 CYS 151 HB3 -0.24 -0.09 0.04 -0.04 2.97 2.64 1nr6A1 LEU 152 H 0.09 0.62 -0.21 -0.55 8.37 8.32 1nr6A1 LEU 152 HA 0.15 -0.05 0.38 -0.75 4.35 4.08 1nr6A1 LEU 152 HB2 -0.18 -0.05 0.07 -0.04 1.64 1.44 1nr6A1 LEU 152 HB3 -0.02 0.15 0.15 -0.04 1.64 1.89 1nr6A1 LEU 152 HG -0.10 0.05 -0.35 -0.04 1.64 1.21 1nr6A1 LEU 152 HD13 -0.25 -0.03 -0.06 -0.04 0.93 0.56 1nr6A1 LEU 152 HD23 -0.35 0.00 -0.05 -0.04 0.89 0.45 1nr6A1 VAL 153 H 0.08 0.51 -0.18 -0.55 8.24 8.10 1nr6A1 VAL 153 HA 0.22 0.03 0.41 -0.75 4.13 4.04 1nr6A1 VAL 153 HB 0.09 0.08 0.19 -0.04 2.12 2.44 1nr6A1 VAL 153 HG13 0.07 -0.01 -0.12 -0.04 0.97 0.87 1nr6A1 VAL 153 HG23 0.16 0.03 -0.03 -0.04 0.95 1.08 1nr6A1 GLU 154 H 0.06 0.52 -0.23 -0.55 8.60 8.41 1nr6A1 GLU 154 HA 0.07 0.05 0.41 -0.75 4.29 4.06 1nr6A1 GLU 154 HB2 0.02 0.10 0.12 -0.04 2.09 2.29 1nr6A1 GLU 154 HB3 0.00 0.05 0.17 -0.04 1.99 2.17 1nr6A1 GLU 154 HG2 0.00 -0.03 0.00 -0.04 2.34 2.27 1nr6A1 GLU 154 HG3 0.01 -0.05 -0.10 -0.04 2.34 2.17 1nr6A1 GLU 155 H 0.09 0.61 -0.02 -0.55 8.60 8.74 1nr6A1 GLU 155 HA 0.07 0.01 0.43 -0.75 4.29 4.05 1nr6A1 GLU 155 HB2 0.31 0.09 0.16 -0.04 2.09 2.61 1nr6A1 GLU 155 HB3 0.20 0.02 0.04 -0.04 1.99 2.21 1nr6A1 GLU 155 HG2 0.45 -0.04 0.02 -0.04 2.34 2.73 1nr6A1 GLU 155 HG3 0.16 0.02 0.08 -0.04 2.34 2.56 1nr6A1 LEU 156 H -0.04 0.51 -0.33 -0.55 8.37 7.96 1nr6A1 LEU 156 HA -0.35 -0.02 0.45 -0.75 4.35 3.67 1nr6A1 LEU 156 HB2 -0.27 0.18 0.12 -0.04 1.64 1.63 1nr6A1 LEU 156 HB3 -1.16 -0.04 0.01 -0.04 1.64 0.41 1nr6A1 LEU 156 HG -0.37 0.08 0.02 -0.04 1.64 1.33 1nr6A1 LEU 156 HD13 -0.42 -0.02 -0.12 -0.04 0.93 0.33 1nr6A1 LEU 156 HD23 -1.51 -0.03 -0.04 -0.04 0.89 -0.73 1nr6A1 ARG 157 H 0.13 0.43 -0.24 -0.55 8.46 8.22 1nr6A1 ARG 157 HA 0.28 0.07 0.56 -0.75 4.34 4.49 1nr6A1 ARG 157 HB2 0.11 0.18 0.23 -0.04 1.90 2.38 1nr6A1 ARG 157 HB3 0.12 -0.09 0.08 -0.04 1.80 1.87 1nr6A1 ARG 157 HG2 0.23 -0.01 0.05 -0.04 1.67 1.90 1nr6A1 ARG 157 HG3 0.26 0.27 0.05 -0.04 1.67 2.21 1nr6A1 ARG 157 HD2 0.06 -0.05 0.01 -0.04 3.22 3.20 1nr6A1 ARG 157 HD3 0.06 -0.04 0.02 -0.04 3.22 3.21 1nr6A1 LYS 158 H 0.05 0.34 -0.23 -0.55 8.42 8.03 1nr6A1 LYS 158 HA 0.05 0.03 0.39 -0.75 4.32 4.04 1nr6A1 LYS 158 HB2 0.05 0.18 0.15 -0.04 1.87 2.21 1nr6A1 LYS 158 HB3 0.04 -0.07 0.10 -0.04 1.79 1.82 1nr6A1 LYS 158 HG2 0.04 -0.03 0.03 -0.04 1.46 1.46 1nr6A1 LYS 158 HG3 0.04 0.17 0.04 -0.04 1.46 1.67 1nr6A1 LYS 158 HD2 0.05 -0.03 0.01 -0.04 1.69 1.68 1nr6A1 LYS 158 HD3 0.04 -0.03 0.01 -0.04 1.68 1.66 1nr6A1 LYS 158 HE2 0.02 0.01 -0.02 -0.04 2.99 2.96 1nr6A1 LYS 158 HE3 0.02 0.02 -0.07 -0.04 2.99 2.91 1nr6A1 THR 159 H 0.00 0.34 -0.63 -0.55 8.28 7.44 1nr6A1 THR 159 HA 0.02 0.05 0.53 -0.75 4.39 4.23 1nr6A1 THR 159 HB 0.04 0.02 0.10 -0.04 4.32 4.45 1nr6A1 THR 159 HG23 -0.06 -0.00 0.05 -0.04 1.22 1.16 1nr6A1 ASN 160 H 0.06 0.47 -0.40 -0.55 8.53 8.12 1nr6A1 ASN 160 HA 0.08 0.11 0.36 -0.75 4.76 4.56 1nr6A1 ASN 160 HB2 0.04 0.06 -0.15 -0.04 2.88 2.79 1nr6A1 ASN 160 HB3 0.05 -0.06 0.17 -0.04 2.79 2.91 1nr6A1 ASN 160 HD21 0.03 -0.08 0.00 -0.04 7.03 6.95 1nr6A1 ASN 160 HD22 0.03 -0.01 -0.10 -0.04 7.74 7.62 1nr6A1 ALA 161 H 0.11 0.17 -0.09 -0.55 8.40 8.04 1nr6A1 ALA 161 HA 0.11 -0.03 0.21 -0.75 4.34 3.87 1nr6A1 ALA 161 HB3 0.09 0.02 0.01 -0.04 1.41 1.48 1nr6A1 SER 162 H 0.06 0.38 -0.44 -0.55 8.46 7.91 1nr6A1 SER 162 HA 0.03 0.12 0.83 -0.75 4.49 4.71 1nr6A1 SER 162 HB2 0.03 0.19 0.09 -0.04 3.95 4.22 1nr6A1 SER 162 HB3 0.02 -0.03 0.07 -0.04 3.93 3.95 1nr6A1 PRO 163 HA -0.00 0.10 0.24 -0.51 4.44 4.28 1nr6A1 PRO 163 HB2 -0.00 -0.02 0.06 -0.04 2.28 2.27 1nr6A1 PRO 163 HB3 -0.01 -0.03 -0.01 -0.04 2.02 1.93 1nr6A1 PRO 163 HG2 -0.00 0.00 0.05 -0.04 2.03 2.04 1nr6A1 PRO 163 HG3 -0.00 0.05 -0.01 -0.04 2.03 2.03 1nr6A1 PRO 163 HD2 0.01 0.07 0.19 -0.04 3.68 3.90 1nr6A1 PRO 163 HD3 0.01 0.18 0.21 -0.04 3.65 4.01 1nr6A1 CYS 164 H 0.00 0.44 0.42 -0.55 8.50 8.81 1nr6A1 CYS 164 HA -0.01 0.06 0.58 -0.75 4.58 4.46 1nr6A1 CYS 164 HB2 0.02 -0.07 0.12 -0.04 2.97 2.99 1nr6A1 CYS 164 HB3 0.04 0.21 -0.22 -0.04 2.97 2.96 1nr6A1 ASP 165 H -0.04 0.18 0.18 -0.55 8.40 8.18 1nr6A1 ASP 165 HA -0.20 0.35 0.90 -0.75 4.63 4.93 1nr6A1 ASP 165 HB2 -0.09 0.04 0.13 -0.04 2.71 2.75 1nr6A1 ASP 165 HB3 -0.07 -0.05 0.24 -0.04 2.70 2.78 1nr6A1 PRO 166 HA -0.02 0.07 0.48 -0.51 4.44 4.46 1nr6A1 PRO 166 HB2 0.05 -0.00 0.02 -0.04 2.28 2.31 1nr6A1 PRO 166 HB3 0.23 0.09 0.00 -0.04 2.02 2.30 1nr6A1 PRO 166 HG2 -0.20 0.03 -0.06 -0.04 2.03 1.76 1nr6A1 PRO 166 HG3 -0.10 0.09 -0.02 -0.04 2.03 1.96 1nr6A1 PRO 166 HD2 -0.51 0.19 0.30 -0.04 3.68 3.62 1nr6A1 PRO 166 HD3 -0.23 0.29 0.22 -0.04 3.65 3.89 1nr6A1 THR 167 H -0.12 0.13 -0.39 -0.55 8.28 7.35 1nr6A1 THR 167 HA -0.08 0.11 0.24 -0.75 4.39 3.90 1nr6A1 THR 167 HB -0.06 -0.04 0.03 -0.04 4.32 4.21 1nr6A1 THR 167 HG23 -0.10 0.01 -0.14 -0.04 1.22 0.95 1nr6A1 PHE 168 H 0.07 0.18 -0.17 -0.55 8.34 7.87 1nr6A1 PHE 168 HA -0.15 0.09 0.41 -0.75 4.62 4.22 1nr6A1 PHE 168 HB2 -0.10 0.02 0.08 -0.04 3.15 3.11 1nr6A1 PHE 168 HB3 -0.10 0.03 0.12 -0.04 3.06 3.07 1nr6A1 PHE 168 HD2 -0.10 -0.01 -0.04 -0.04 7.28 7.09 1nr6A1 PHE 168 HE2 -0.03 -0.01 -0.02 -0.04 7.38 7.28 1nr6A1 PHE 168 HZ 0.06 0.28 0.07 -0.04 7.32 7.69 1nr6A1 ILE 169 H -0.03 0.18 -0.07 -0.55 8.25 7.78 1nr6A1 ILE 169 HA -0.69 0.02 0.42 -0.75 4.18 3.17 1nr6A1 ILE 169 HB -0.10 0.02 0.08 -0.04 1.89 1.85 1nr6A1 ILE 169 HG12 -0.38 -0.01 -0.03 -0.04 1.49 1.03 1nr6A1 ILE 169 HG13 -0.59 -0.07 0.07 -0.04 1.21 0.58 1nr6A1 ILE 169 HG23 -0.21 0.04 -0.03 -0.04 0.93 0.68 1nr6A1 ILE 169 HD13 -0.09 0.04 -0.08 -0.04 0.88 0.71 1nr6A1 LEU 170 H -0.19 0.59 -0.21 -0.55 8.37 8.01 1nr6A1 LEU 170 HA -0.23 0.01 0.34 -0.75 4.35 3.71 1nr6A1 LEU 170 HB2 -0.09 0.29 0.03 -0.04 1.64 1.82 1nr6A1 LEU 170 HB3 -0.07 0.03 -0.03 -0.04 1.64 1.53 1nr6A1 LEU 170 HG -0.02 -0.05 -0.12 -0.04 1.64 1.41 1nr6A1 LEU 170 HD13 -0.13 -0.01 -0.10 -0.04 0.93 0.65 1nr6A1 LEU 170 HD23 0.05 -0.00 -0.14 -0.04 0.89 0.75 1nr6A1 GLY 171 H -0.29 0.34 -0.50 -0.55 8.43 7.43 1nr6A1 GLY 171 HA2 -0.13 0.06 0.72 -0.51 4.01 4.16 1nr6A1 GLY 171 HA3 -0.22 0.05 0.32 -0.51 4.01 3.65 1nr6A1 CYS 172 H -0.50 0.40 -0.01 -0.55 8.50 7.85 1nr6A1 CYS 172 HA -0.16 -0.01 0.41 -0.75 4.58 4.07 1nr6A1 CYS 172 HB2 -0.90 0.15 0.20 -0.04 2.97 2.38 1nr6A1 CYS 172 HB3 -0.29 -0.07 -0.04 -0.04 2.97 2.53 1nr6A1 ALA 173 H -0.33 0.49 -0.06 -0.55 8.40 7.95 1nr6A1 ALA 173 HA 0.03 -0.01 0.40 -0.75 4.34 4.01 1nr6A1 ALA 173 HB3 -0.59 0.03 0.03 -0.04 1.41 0.84 1nr6A1 PRO 174 HA 0.20 0.01 0.38 -0.51 4.44 4.52 1nr6A1 PRO 174 HB2 0.05 0.09 0.11 -0.04 2.28 2.48 1nr6A1 PRO 174 HB3 0.10 0.02 0.11 -0.04 2.02 2.21 1nr6A1 PRO 174 HG2 0.01 0.16 0.07 -0.04 2.03 2.22 1nr6A1 PRO 174 HG3 0.12 -0.04 -0.03 -0.04 2.03 2.04 1nr6A1 PRO 174 HD2 -0.09 0.15 -0.48 -0.04 3.68 3.22 1nr6A1 PRO 174 HD3 -0.19 0.06 -0.00 -0.04 3.65 3.48 1nr6A1 CYS 175 H 0.08 0.50 -0.22 -0.55 8.50 8.31 1nr6A1 CYS 175 HA 0.21 0.00 0.49 -0.75 4.58 4.52 1nr6A1 CYS 175 HB2 0.03 0.13 0.15 -0.04 2.97 3.24 1nr6A1 CYS 175 HB3 0.21 0.09 0.12 -0.04 2.97 3.35 1nr6A1 ASN 176 H 0.31 0.72 -0.13 -0.55 8.53 8.88 1nr6A1 ASN 176 HA 0.30 -0.05 0.50 -0.75 4.76 4.75 1nr6A1 ASN 176 HB2 0.24 0.25 0.21 -0.04 2.88 3.54 1nr6A1 ASN 176 HB3 0.12 -0.03 -0.00 -0.04 2.79 2.84 1nr6A1 ASN 176 HD21 -0.12 0.58 0.11 -0.04 7.03 7.56 1nr6A1 ASN 176 HD22 0.32 -0.00 -0.03 -0.04 7.74 7.99 1nr6A1 VAL 177 H 0.16 0.51 -0.18 -0.55 8.24 8.18 1nr6A1 VAL 177 HA 0.05 0.02 0.36 -0.75 4.13 3.80 1nr6A1 VAL 177 HB 0.09 0.17 0.16 -0.04 2.12 2.51 1nr6A1 VAL 177 HG13 -0.03 -0.02 -0.14 -0.04 0.97 0.74 1nr6A1 VAL 177 HG23 0.22 0.07 -0.01 -0.04 0.95 1.19 1nr6A1 ILE 178 H -0.01 0.51 -0.18 -0.55 8.25 8.02 1nr6A1 ILE 178 HA -0.25 0.01 0.43 -0.75 4.18 3.62 1nr6A1 ILE 178 HB -0.41 0.14 0.12 -0.04 1.89 1.71 1nr6A1 ILE 178 HG12 -0.28 -0.06 -0.05 -0.04 1.49 1.06 1nr6A1 ILE 178 HG13 -0.13 0.04 -0.02 -0.04 1.21 1.06 1nr6A1 ILE 178 HG23 -1.33 -0.03 -0.15 -0.04 0.93 -0.62 1nr6A1 ILE 178 HD13 -0.16 0.00 -0.16 -0.04 0.88 0.52 1nr6A1 CYS 179 H 0.15 0.49 -0.18 -0.55 8.50 8.41 1nr6A1 CYS 179 HA 0.20 -0.05 0.44 -0.75 4.58 4.41 1nr6A1 CYS 179 HB2 0.32 0.12 0.30 -0.04 2.97 3.66 1nr6A1 CYS 179 HB3 0.53 0.13 0.07 -0.04 2.97 3.66 1nr6A1 SER 180 H 0.04 0.61 -0.17 -0.55 8.46 8.40 1nr6A1 SER 180 HA -0.01 -0.12 0.42 -0.75 4.49 4.02 1nr6A1 SER 180 HB2 -0.02 0.06 0.05 -0.04 3.95 4.00 1nr6A1 SER 180 HB3 -0.03 0.12 0.11 -0.04 3.93 4.09 1nr6A1 VAL 181 H -0.08 0.46 -0.12 -0.55 8.24 7.95 1nr6A1 VAL 181 HA 0.00 0.18 0.62 -0.75 4.13 4.18 1nr6A1 VAL 181 HB -0.03 -0.01 0.09 -0.04 2.12 2.13 1nr6A1 VAL 181 HG13 -0.07 0.06 0.03 -0.04 0.97 0.95 1nr6A1 VAL 181 HG23 -0.17 -0.00 -0.01 -0.04 0.95 0.72 1nr6A1 ILE 182 H -0.19 0.45 -0.16 -0.55 8.25 7.80 1nr6A1 ILE 182 HA -0.01 -0.04 0.84 -0.75 4.18 4.22 1nr6A1 ILE 182 HB -0.87 0.05 0.13 -0.04 1.89 1.17 1nr6A1 ILE 182 HG12 -0.51 0.32 0.08 -0.04 1.49 1.35 1nr6A1 ILE 182 HG13 -0.62 -0.04 -0.02 -0.04 1.21 0.49 1nr6A1 ILE 182 HG23 -0.30 -0.03 -0.11 -0.04 0.93 0.45 1nr6A1 ILE 182 HD13 -0.56 -0.02 -0.06 -0.04 0.88 0.19 1nr6A1 PHE 183 H -0.04 0.71 0.20 -0.55 8.34 8.66 1nr6A1 PHE 183 HA 0.17 0.09 0.81 -0.75 4.62 4.93 1nr6A1 PHE 183 HB2 0.21 0.12 0.01 -0.04 3.15 3.45 1nr6A1 PHE 183 HB3 0.27 -0.03 0.04 -0.04 3.06 3.30 1nr6A1 PHE 183 HD2 0.26 0.04 -0.06 -0.04 7.28 7.48 1nr6A1 PHE 183 HE2 0.37 -0.02 -0.05 -0.04 7.38 7.64 1nr6A1 PHE 183 HZ 0.33 -0.03 -0.10 -0.04 7.32 7.48 1nr6A1 HIS 184 H 0.20 0.23 -0.06 -0.55 8.41 8.23 1nr6A1 HIS 184 HA 0.07 0.25 0.42 -0.75 4.63 4.62 1nr6A1 HIS 184 HB2 0.14 -0.03 -0.27 -0.04 3.26 3.06 1nr6A1 HIS 184 HB3 0.12 0.12 0.11 -0.04 3.20 3.50 1nr6A1 HIS 184 HD2 0.05 0.43 0.15 -0.04 6.97 7.56 1nr6A1 HIS 184 HE1 0.00 -0.07 0.04 -0.04 7.75 7.68 1nr6A1 ASN 185 H 0.11 0.28 -0.13 -0.55 8.53 8.25 1nr6A1 ASN 185 HA -0.12 0.09 0.56 -0.75 4.76 4.54 1nr6A1 ASN 185 HB2 0.08 0.18 -0.43 -0.04 2.88 2.68 1nr6A1 ASN 185 HB3 -0.12 -0.10 -0.19 -0.04 2.79 2.35 1nr6A1 ASN 185 HD21 -0.32 -0.04 -0.03 -0.04 7.03 6.60 1nr6A1 ASN 185 HD22 -1.09 -0.10 -0.23 -0.04 7.74 6.29 1nr6A1 ARG 186 H -0.31 0.25 0.14 -0.55 8.46 7.98 1nr6A1 ARG 186 HA -0.26 0.17 0.82 -0.75 4.34 4.32 1nr6A1 ARG 186 HB2 -0.12 0.01 0.05 -0.04 1.90 1.79 1nr6A1 ARG 186 HB3 -0.11 0.04 -0.10 -0.04 1.80 1.59 1nr6A1 ARG 186 HG2 -0.16 -0.01 -0.04 -0.04 1.67 1.43 1nr6A1 ARG 186 HG3 -0.20 -0.03 -0.36 -0.04 1.67 1.05 1nr6A1 ARG 186 HD2 -0.07 0.02 -0.12 -0.04 3.22 3.00 1nr6A1 ARG 186 HD3 -0.10 -0.00 -0.12 -0.04 3.22 2.95 1nr6A1 PHE 187 H -0.34 0.19 0.12 -0.55 8.34 7.75 1nr6A1 PHE 187 HA -0.13 0.20 1.01 -0.75 4.62 4.94 1nr6A1 PHE 187 HB2 -1.11 0.03 0.02 -0.04 3.15 2.04 1nr6A1 PHE 187 HB3 -0.12 -0.07 0.09 -0.04 3.06 2.92 1nr6A1 PHE 187 HD2 -0.09 -0.01 -0.06 -0.04 7.28 7.08 1nr6A1 PHE 187 HE2 0.25 0.04 -0.11 -0.04 7.38 7.52 1nr6A1 PHE 187 HZ 0.02 0.05 -0.13 -0.04 7.32 7.23 1nr6A1 ASP 188 H 0.07 0.10 0.17 -0.55 8.40 8.20 1nr6A1 ASP 188 HA -0.15 0.16 0.52 -0.75 4.63 4.41 1nr6A1 ASP 188 HB2 0.01 0.11 0.14 -0.04 2.71 2.93 1nr6A1 ASP 188 HB3 0.09 -0.10 0.10 -0.04 2.70 2.74 1nr6A1 TYR 189 H -0.10 0.22 0.15 -0.55 8.29 8.00 1nr6A1 TYR 189 HA 0.30 0.13 0.37 -0.75 4.56 4.61 1nr6A1 TYR 189 HB2 0.15 0.02 0.06 -0.04 3.06 3.25 1nr6A1 TYR 189 HB3 0.24 0.03 0.13 -0.04 2.98 3.33 1nr6A1 TYR 189 HD2 0.09 0.02 -0.06 -0.04 7.15 7.16 1nr6A1 TYR 189 HE2 -0.02 0.06 -0.11 -0.04 6.85 6.74 1nr6A1 LYS 190 H 0.21 -0.06 -0.67 -0.55 8.42 7.34 1nr6A1 LYS 190 HA 0.21 0.27 0.81 -0.75 4.32 4.85 1nr6A1 LYS 190 HB2 0.10 -0.04 -0.03 -0.04 1.87 1.86 1nr6A1 LYS 190 HB3 0.09 0.02 0.10 -0.04 1.79 1.95 1nr6A1 LYS 190 HG2 0.11 0.09 -0.08 -0.04 1.46 1.54 1nr6A1 LYS 190 HG3 0.16 -0.09 -0.25 -0.04 1.46 1.24 1nr6A1 LYS 190 HD2 0.06 -0.03 -0.04 -0.04 1.69 1.65 1nr6A1 LYS 190 HD3 0.05 0.01 -0.02 -0.04 1.68 1.68 1nr6A1 LYS 190 HE2 0.04 0.02 -0.02 -0.04 2.99 2.99 1nr6A1 LYS 190 HE3 0.05 0.03 -0.04 -0.04 2.99 3.00 1nr6A1 ASP 191 H 0.27 0.47 -0.18 -0.55 8.40 8.41 1nr6A1 ASP 191 HA 0.15 0.04 0.45 -0.75 4.63 4.51 1nr6A1 ASP 191 HB2 0.22 -0.04 0.17 -0.04 2.71 3.02 1nr6A1 ASP 191 HB3 0.34 0.07 0.12 -0.04 2.70 3.19 1nr6A1 GLU 192 H 0.10 0.18 0.22 -0.55 8.60 8.56 1nr6A1 GLU 192 HA 0.07 0.14 0.33 -0.75 4.29 4.08 1nr6A1 GLU 192 HB2 0.07 -0.07 0.17 -0.04 2.09 2.21 1nr6A1 GLU 192 HB3 0.04 0.05 0.03 -0.04 1.99 2.07 1nr6A1 GLU 192 HG2 0.06 -0.01 0.17 -0.04 2.34 2.52 1nr6A1 GLU 192 HG3 0.04 0.04 0.07 -0.04 2.34 2.44 1nr6A1 GLU 193 H 0.11 0.12 -0.01 -0.55 8.60 8.28 1nr6A1 GLU 193 HA 0.22 0.12 0.43 -0.75 4.29 4.30 1nr6A1 GLU 193 HB2 0.18 0.01 -0.01 -0.04 2.09 2.23 1nr6A1 GLU 193 HB3 0.36 0.08 0.05 -0.04 1.99 2.44 1nr6A1 GLU 193 HG2 0.09 -0.13 0.11 -0.04 2.34 2.37 1nr6A1 GLU 193 HG3 0.04 0.08 0.03 -0.04 2.34 2.45 1nr6A1 PHE 194 H 0.19 0.05 -0.38 -0.55 8.34 7.64 1nr6A1 PHE 194 HA -0.26 0.07 0.35 -0.75 4.62 4.03 1nr6A1 PHE 194 HB2 -0.14 -0.07 0.01 -0.04 3.15 2.91 1nr6A1 PHE 194 HB3 0.08 0.16 0.01 -0.04 3.06 3.26 1nr6A1 PHE 194 HD2 0.06 0.03 -0.11 -0.04 7.28 7.22 1nr6A1 PHE 194 HE2 0.19 0.02 -0.15 -0.04 7.38 7.40 1nr6A1 PHE 194 HZ 0.12 0.18 0.02 -0.04 7.32 7.60 1nr6A1 LEU 195 H 0.14 0.69 -0.11 -0.55 8.37 8.55 1nr6A1 LEU 195 HA -0.09 0.05 0.41 -0.75 4.35 3.96 1nr6A1 LEU 195 HB2 0.06 0.06 0.06 -0.04 1.64 1.79 1nr6A1 LEU 195 HB3 0.07 -0.03 -0.03 -0.04 1.64 1.61 1nr6A1 LEU 195 HG 0.21 0.18 -0.33 -0.04 1.64 1.65 1nr6A1 LEU 195 HD13 0.09 -0.00 -0.07 -0.04 0.93 0.91 1nr6A1 LEU 195 HD23 0.44 0.04 -0.13 -0.04 0.89 1.20 1nr6A1 LYS 196 H 0.00 0.59 -0.23 -0.55 8.42 8.22 1nr6A1 LYS 196 HA -0.12 -0.00 0.31 -0.75 4.32 3.76 1nr6A1 LYS 196 HB2 -0.03 0.28 0.20 -0.04 1.87 2.28 1nr6A1 LYS 196 HB3 0.02 0.11 0.14 -0.04 1.79 2.02 1nr6A1 LYS 196 HG2 -0.76 -0.03 -0.03 -0.04 1.46 0.60 1nr6A1 LYS 196 HG3 -0.24 -0.02 0.02 -0.04 1.46 1.18 1nr6A1 LYS 196 HD2 -0.32 -0.00 -0.02 -0.04 1.69 1.30 1nr6A1 LYS 196 HD3 -0.33 -0.00 -0.03 -0.04 1.68 1.28 1nr6A1 LYS 196 HE2 -0.07 0.00 -0.05 -0.04 2.99 2.82 1nr6A1 LYS 196 HE3 -0.01 0.09 -0.21 -0.04 2.99 2.82 1nr6A1 LEU 197 H -0.07 0.68 -0.10 -0.55 8.37 8.34 1nr6A1 LEU 197 HA 0.01 -0.01 0.30 -0.75 4.35 3.89 1nr6A1 LEU 197 HB2 -0.94 0.02 0.08 -0.04 1.64 0.76 1nr6A1 LEU 197 HB3 -0.49 0.14 0.16 -0.04 1.64 1.41 1nr6A1 LEU 197 HG -0.44 -0.01 -0.31 -0.04 1.64 0.83 1nr6A1 LEU 197 HD13 -0.63 -0.01 0.01 -0.04 0.93 0.25 1nr6A1 LEU 197 HD23 -0.83 -0.00 -0.06 -0.04 0.89 -0.05 1nr6A1 MET 198 H -0.34 0.66 -0.15 -0.55 8.47 8.10 1nr6A1 MET 198 HA -0.17 0.00 0.57 -0.75 4.52 4.16 1nr6A1 MET 198 HB2 -0.28 0.14 0.15 -0.04 2.15 2.12 1nr6A1 MET 198 HB3 -0.21 -0.05 -0.00 -0.04 2.03 1.73 1nr6A1 MET 198 HG2 -0.35 -0.04 0.00 -0.04 2.63 2.20 1nr6A1 MET 198 HG3 -0.90 0.11 0.03 -0.04 2.56 1.77 1nr6A1 MET 198 HE3 -0.27 -0.02 -0.10 -0.04 2.10 1.67 1nr6A1 GLU 199 H -0.09 0.74 -0.11 -0.55 8.60 8.59 1nr6A1 GLU 199 HA 0.04 0.00 0.52 -0.75 4.29 4.09 1nr6A1 GLU 199 HB2 -0.08 0.06 0.13 -0.04 2.09 2.16 1nr6A1 GLU 199 HB3 -0.04 -0.07 0.01 -0.04 1.99 1.85 1nr6A1 GLU 199 HG2 0.01 -0.05 -0.02 -0.04 2.34 2.25 1nr6A1 GLU 199 HG3 -0.01 0.22 -0.07 -0.04 2.34 2.43 1nr6A1 SER 200 H -0.05 0.70 -0.10 -0.55 8.46 8.47 1nr6A1 SER 200 HA -0.03 0.01 0.55 -0.75 4.49 4.27 1nr6A1 SER 200 HB2 0.12 0.08 0.08 -0.04 3.95 4.20 1nr6A1 SER 200 HB3 0.10 -0.07 -0.01 -0.04 3.93 3.91 1nr6A1 LEU 201 H -0.04 0.57 -0.12 -0.55 8.37 8.24 1nr6A1 LEU 201 HA -0.01 0.02 0.46 -0.75 4.35 4.07 1nr6A1 LEU 201 HB2 -0.05 0.07 0.28 -0.04 1.64 1.89 1nr6A1 LEU 201 HB3 0.01 -0.03 0.01 -0.04 1.64 1.60 1nr6A1 LEU 201 HG -0.14 0.02 0.02 -0.04 1.64 1.50 1nr6A1 LEU 201 HD13 -0.06 -0.02 -0.07 -0.04 0.93 0.75 1nr6A1 LEU 201 HD23 0.02 -0.01 -0.06 -0.04 0.89 0.80 1nr6A1 HIS 202 H 0.08 0.72 -0.05 -0.55 8.41 8.61 1nr6A1 HIS 202 HA -0.00 -0.00 0.26 -0.75 4.63 4.13 1nr6A1 HIS 202 HB2 -0.03 0.07 0.14 -0.04 3.26 3.40 1nr6A1 HIS 202 HB3 -0.03 0.01 0.16 -0.04 3.20 3.29 1nr6A1 HIS 202 HD2 0.01 -0.03 -0.00 -0.04 6.97 6.90 1nr6A1 HIS 202 HE1 -0.00 -0.00 -0.06 -0.04 7.75 7.64 1nr6A1 GLU 203 H -0.01 0.48 -0.18 -0.55 8.60 8.34 1nr6A1 GLU 203 HA -0.20 0.01 0.42 -0.75 4.29 3.76 1nr6A1 GLU 203 HB2 -0.06 0.03 0.16 -0.04 2.09 2.18 1nr6A1 GLU 203 HB3 -0.04 0.11 0.19 -0.04 1.99 2.20 1nr6A1 GLU 203 HG2 -0.04 -0.02 -0.25 -0.04 2.34 1.99 1nr6A1 GLU 203 HG3 -0.05 -0.04 0.01 -0.04 2.34 2.22 1nr6A1 ASN 204 H -0.03 0.42 -0.34 -0.55 8.53 8.04 1nr6A1 ASN 204 HA -0.02 -0.05 0.34 -0.75 4.76 4.27 1nr6A1 ASN 204 HB2 -0.01 0.10 0.15 -0.04 2.88 3.07 1nr6A1 ASN 204 HB3 0.00 0.14 0.14 -0.04 2.79 3.04 1nr6A1 ASN 204 HD21 -0.03 -0.02 0.09 -0.04 7.03 7.03 1nr6A1 ASN 204 HD22 -0.02 -0.09 0.10 -0.04 7.74 7.69 1nr6A1 VAL 205 H 0.01 0.50 -0.12 -0.55 8.24 8.08 1nr6A1 VAL 205 HA 0.06 0.09 0.46 -0.75 4.13 3.99 1nr6A1 VAL 205 HB 0.06 -0.01 0.09 -0.04 2.12 2.22 1nr6A1 VAL 205 HG13 0.09 0.01 -0.04 -0.04 0.97 0.99 1nr6A1 VAL 205 HG23 0.10 -0.02 0.05 -0.04 0.95 1.04 1nr6A1 GLU 206 H -0.09 0.50 -0.22 -0.55 8.60 8.25 1nr6A1 GLU 206 HA 0.00 -0.01 0.44 -0.75 4.29 3.96 1nr6A1 GLU 206 HB2 -0.35 0.06 0.09 -0.04 2.09 1.86 1nr6A1 GLU 206 HB3 -0.15 0.02 0.17 -0.04 1.99 1.98 1nr6A1 GLU 206 HG2 -0.07 -0.03 -0.06 -0.04 2.34 2.13 1nr6A1 GLU 206 HG3 -0.03 0.00 0.02 -0.04 2.34 2.28 1nr6A1 LEU 207 H -0.04 0.63 0.06 -0.55 8.37 8.47 1nr6A1 LEU 207 HA 0.02 -0.05 0.38 -0.75 4.35 3.94 1nr6A1 LEU 207 HB2 -0.01 0.03 0.16 -0.04 1.64 1.78 1nr6A1 LEU 207 HB3 0.01 0.08 0.17 -0.04 1.64 1.85 1nr6A1 LEU 207 HG -0.03 0.18 0.01 -0.04 1.64 1.76 1nr6A1 LEU 207 HD13 -0.01 -0.03 0.01 -0.04 0.93 0.87 1nr6A1 LEU 207 HD23 -0.01 -0.05 -0.00 -0.04 0.89 0.79 1nr6A1 LEU 208 H 0.03 0.47 -0.26 -0.55 8.37 8.06 1nr6A1 LEU 208 HA 0.07 0.05 0.67 -0.75 4.35 4.38 1nr6A1 LEU 208 HB2 0.04 0.16 0.22 -0.04 1.64 2.01 1nr6A1 LEU 208 HB3 0.04 -0.07 0.19 -0.04 1.64 1.76 1nr6A1 LEU 208 HG -0.06 0.03 0.01 -0.04 1.64 1.58 1nr6A1 LEU 208 HD13 -0.09 -0.04 0.01 -0.04 0.93 0.77 1nr6A1 LEU 208 HD23 -0.26 0.01 -0.07 -0.04 0.89 0.52 1nr6A1 GLY 209 H 0.15 0.46 -0.37 -0.55 8.43 8.12 1nr6A1 GLY 209 HA2 0.24 0.03 0.97 -0.51 4.01 4.74 1nr6A1 GLY 209 HA3 0.12 0.06 0.35 -0.51 4.01 4.02 1nr6A1 THR 210 H -0.33 0.22 -0.01 -0.55 8.28 7.61 1nr6A1 THR 210 HA -0.05 0.24 0.42 -0.75 4.39 4.25 1nr6A1 THR 210 HB 0.08 0.29 0.18 -0.04 4.32 4.84 1nr6A1 THR 210 HG23 -0.05 -0.06 -0.18 -0.04 1.22 0.88 1nr6A1 PRO 211 HA -0.64 0.14 0.55 -0.51 4.44 3.98 1nr6A1 PRO 211 HB2 -0.80 -0.05 -0.00 -0.04 2.28 1.38 1nr6A1 PRO 211 HB3 -0.51 0.09 0.11 -0.04 2.02 1.67 1nr6A1 PRO 211 HG2 -2.55 -0.18 0.15 -0.04 2.03 -0.59 1nr6A1 PRO 211 HG3 -1.12 0.05 0.06 -0.04 2.03 0.99 1nr6A1 PRO 211 HD2 -0.11 0.06 0.26 -0.04 3.68 3.84 1nr6A1 PRO 211 HD3 -0.32 0.45 0.17 -0.04 3.65 3.90 1nr6A1 TRP 212 H -0.47 0.12 -0.03 -0.55 7.97 7.04 1nr6A1 TRP 212 HA -0.05 0.09 0.32 -0.75 4.62 4.22 1nr6A1 TRP 212 HB2 -0.14 -0.06 0.05 -0.04 3.23 3.04 1nr6A1 TRP 212 HB3 -0.06 -0.04 -0.02 -0.04 3.23 3.06 1nr6A1 TRP 212 HD1 0.00 0.00 -0.04 -0.04 7.22 7.14 1nr6A1 TRP 212 HE1 0.02 0.01 -0.08 -0.04 10.20 10.11 1nr6A1 TRP 212 HE3 -0.14 -0.07 0.07 -0.04 7.59 7.41 1nr6A1 TRP 212 HZ2 -0.02 0.06 -0.19 -0.04 7.44 7.25 1nr6A1 TRP 212 HZ3 -0.09 0.10 0.11 -0.04 7.13 7.21 1nr6A1 TRP 212 HH2 -0.05 0.25 0.17 -0.04 7.19 7.51 1nr6A1 LEU 213 H 0.06 0.06 -0.32 -0.55 8.37 7.62 1nr6A1 LEU 213 HA 0.13 -0.01 0.28 -0.75 4.35 4.01 1nr6A1 LEU 213 HB2 0.16 0.15 -0.19 -0.04 1.64 1.71 1nr6A1 LEU 213 HB3 0.17 0.25 0.21 -0.04 1.64 2.22 1nr6A1 LEU 213 HG 0.19 0.08 0.14 -0.04 1.64 2.02 1nr6A1 LEU 213 HD13 0.50 -0.04 0.02 -0.04 0.93 1.36 1nr6A1 LEU 213 HD23 0.44 0.00 0.05 -0.04 0.89 1.34 1nr6A1 GLN 214 H 0.12 0.97 -0.16 -0.55 8.47 8.85 1nr6A1 GLN 214 HA 0.06 0.03 0.27 -0.75 4.36 3.97 1nr6A1 GLN 214 HB2 0.10 0.01 0.05 -0.04 2.15 2.27 1nr6A1 GLN 214 HB3 0.04 0.01 -0.02 -0.04 2.02 2.02 1nr6A1 GLN 214 HG2 0.02 -0.01 0.04 -0.04 2.40 2.41 1nr6A1 GLN 214 HG3 0.03 -0.09 0.12 -0.04 2.39 2.41 1nr6A1 GLN 214 HE21 0.04 0.05 0.02 -0.04 6.97 7.04 1nr6A1 GLN 214 HE22 0.04 -0.09 -0.01 -0.04 7.69 7.58 1nr6A1 VAL 215 H 0.03 -0.01 -0.79 -0.55 8.24 6.92 1nr6A1 VAL 215 HA 0.01 0.14 0.27 -0.75 4.13 3.79 1nr6A1 VAL 215 HB -0.27 -0.00 -0.03 -0.04 2.12 1.78 1nr6A1 VAL 215 HG13 -0.04 0.00 -0.16 -0.04 0.97 0.73 1nr6A1 VAL 215 HG23 -0.09 0.01 -0.06 -0.04 0.95 0.77 1nr6A1 TYR 216 H -0.16 0.33 -0.13 -0.55 8.29 7.78 1nr6A1 TYR 216 HA 0.06 0.03 0.32 -0.75 4.56 4.21 1nr6A1 TYR 216 HB2 0.04 -0.02 -0.10 -0.04 3.06 2.94 1nr6A1 TYR 216 HB3 0.06 -0.03 0.05 -0.04 2.98 3.01 1nr6A1 TYR 216 HD2 0.07 0.05 -0.02 -0.04 7.15 7.21 1nr6A1 TYR 216 HE2 0.09 0.05 -0.05 -0.04 6.85 6.89 1nr6A1 ASN 217 H 0.06 0.37 -0.85 -0.55 8.53 7.57 1nr6A1 ASN 217 HA 0.02 0.06 0.66 -0.75 4.76 4.75 1nr6A1 ASN 217 HB2 0.04 -0.13 -0.00 -0.04 2.88 2.75 1nr6A1 ASN 217 HB3 0.01 0.29 0.09 -0.04 2.79 3.14 1nr6A1 ASN 217 HD21 -0.01 -0.01 0.06 -0.04 7.03 7.02 1nr6A1 ASN 217 HD22 0.00 -0.02 0.09 -0.04 7.74 7.77 1nr6A1 ASN 218 H -0.03 0.20 -0.26 -0.55 8.53 7.89 1nr6A1 ASN 218 HA -0.27 0.18 1.07 -0.75 4.76 4.99 1nr6A1 ASN 218 HB2 -0.29 0.05 0.24 -0.04 2.88 2.84 1nr6A1 ASN 218 HB3 -1.02 -0.10 0.08 -0.04 2.79 1.72 1nr6A1 ASN 218 HD21 -0.07 -0.03 -0.08 -0.04 7.03 6.81 1nr6A1 ASN 218 HD22 -0.16 0.25 -0.02 -0.04 7.74 7.77 1nr6A1 PHE 219 H 0.01 0.27 0.14 -0.55 8.34 8.20 1nr6A1 PHE 219 HA 0.00 0.29 1.01 -0.75 4.62 5.17 1nr6A1 PHE 219 HB2 -0.02 -0.01 0.21 -0.04 3.15 3.29 1nr6A1 PHE 219 HB3 -0.02 -0.06 0.07 -0.04 3.06 3.01 1nr6A1 PHE 219 HD2 -0.04 -0.00 0.01 -0.04 7.28 7.21 1nr6A1 PHE 219 HE2 -0.03 0.03 -0.09 -0.04 7.38 7.25 1nr6A1 PHE 219 HZ -0.01 0.15 0.04 -0.04 7.32 7.46 1nr6A1 PRO 220 HA 0.05 0.07 0.33 -0.51 4.44 4.38 1nr6A1 PRO 220 HB2 0.03 0.02 0.02 -0.04 2.28 2.31 1nr6A1 PRO 220 HB3 0.01 0.04 0.07 -0.04 2.02 2.11 1nr6A1 PRO 220 HG2 -0.00 0.07 0.04 -0.04 2.03 2.09 1nr6A1 PRO 220 HG3 0.00 0.07 -0.05 -0.04 2.03 2.01 1nr6A1 PRO 220 HD2 0.04 0.06 0.22 -0.04 3.68 3.96 1nr6A1 PRO 220 HD3 -0.04 0.64 0.05 -0.04 3.65 4.25 1nr6A1 ALA 221 H 0.11 0.14 -0.32 -0.55 8.40 7.79 1nr6A1 ALA 221 HA 0.09 0.10 0.46 -0.75 4.34 4.24 1nr6A1 ALA 221 HB3 0.06 0.03 0.03 -0.04 1.41 1.48 1nr6A1 LEU 222 H 0.12 0.43 -0.16 -0.55 8.37 8.22 1nr6A1 LEU 222 HA 0.11 0.06 0.45 -0.75 4.35 4.23 1nr6A1 LEU 222 HB2 0.16 0.18 0.12 -0.04 1.64 2.06 1nr6A1 LEU 222 HB3 0.21 0.01 0.02 -0.04 1.64 1.84 1nr6A1 LEU 222 HG 0.02 -0.06 0.04 -0.04 1.64 1.60 1nr6A1 LEU 222 HD13 -0.02 0.01 0.01 -0.04 0.93 0.89 1nr6A1 LEU 222 HD23 -0.02 0.00 -0.02 -0.04 0.89 0.82 1nr6A1 LEU 223 H 0.11 0.23 -0.31 -0.55 8.37 7.85 1nr6A1 LEU 223 HA 0.11 0.09 0.28 -0.75 4.35 4.08 1nr6A1 LEU 223 HB2 -0.01 0.22 0.13 -0.04 1.64 1.94 1nr6A1 LEU 223 HB3 -0.12 -0.02 -0.02 -0.04 1.64 1.44 1nr6A1 LEU 223 HG 0.00 -0.01 0.01 -0.04 1.64 1.60 1nr6A1 LEU 223 HD13 0.10 -0.04 -0.03 -0.04 0.93 0.92 1nr6A1 LEU 223 HD23 -0.16 0.01 0.02 -0.04 0.89 0.72 1nr6A1 ASP 224 H 0.07 0.24 -0.32 -0.55 8.40 7.84 1nr6A1 ASP 224 HA -0.02 0.07 0.44 -0.75 4.63 4.36 1nr6A1 ASP 224 HB2 0.03 0.09 0.03 -0.04 2.71 2.82 1nr6A1 ASP 224 HB3 -0.05 -0.03 0.07 -0.04 2.70 2.65 1nr6A1 TYR 225 H 0.14 0.23 -0.29 -0.55 8.29 7.82 1nr6A1 TYR 225 HA -0.30 0.05 0.57 -0.75 4.56 4.13 1nr6A1 TYR 225 HB2 -0.24 0.02 0.17 -0.04 3.06 2.98 1nr6A1 TYR 225 HB3 -1.04 -0.02 0.01 -0.04 2.98 1.88 1nr6A1 TYR 225 HD2 -0.22 0.14 0.04 -0.04 7.15 7.07 1nr6A1 TYR 225 HE2 -0.08 -0.03 -0.01 -0.04 6.85 6.70 1nr6A1 PHE 226 H 0.09 0.41 -0.37 -0.55 8.34 7.91 1nr6A1 PHE 226 HA 0.06 0.10 0.77 -0.75 4.62 4.80 1nr6A1 PHE 226 HB2 0.09 0.06 0.17 -0.04 3.15 3.43 1nr6A1 PHE 226 HB3 0.07 -0.10 0.16 -0.04 3.06 3.14 1nr6A1 PHE 226 HD2 0.06 -0.00 0.03 -0.04 7.28 7.33 1nr6A1 PHE 226 HE2 0.02 -0.03 -0.01 -0.04 7.38 7.33 1nr6A1 PHE 226 HZ 0.05 -0.02 -0.01 -0.04 7.32 7.29 1nr6A1 PRO 227 HA 0.10 0.14 0.60 -0.51 4.44 4.77 1nr6A1 PRO 227 HB2 0.05 -0.06 0.03 -0.04 2.28 2.25 1nr6A1 PRO 227 HB3 0.02 0.09 0.12 -0.04 2.02 2.21 1nr6A1 PRO 227 HG2 0.03 -0.06 -0.00 -0.04 2.03 1.96 1nr6A1 PRO 227 HG3 -0.01 0.07 0.03 -0.04 2.03 2.08 1nr6A1 PRO 227 HD2 0.02 0.11 -0.04 -0.04 3.68 3.72 1nr6A1 PRO 227 HD3 -0.04 0.35 -0.40 -0.04 3.65 3.53 1nr6A1 GLY 228 H 0.12 0.17 -0.25 -0.55 8.43 7.92 1nr6A1 GLY 228 HA2 0.06 0.02 0.34 -0.51 4.01 3.92 1nr6A1 GLY 228 HA3 0.08 0.09 0.28 -0.51 4.01 3.95 1nr6A1 ILE 229 H 0.13 0.22 -0.18 -0.55 8.25 7.88 1nr6A1 ILE 229 HA 0.05 0.03 0.37 -0.75 4.18 3.88 1nr6A1 ILE 229 HB 0.09 0.10 -0.01 -0.04 1.89 2.03 1nr6A1 ILE 229 HG12 0.17 -0.04 0.11 -0.04 1.49 1.70 1nr6A1 ILE 229 HG13 0.17 -0.05 0.07 -0.04 1.21 1.36 1nr6A1 ILE 229 HG23 0.07 -0.02 0.14 -0.04 0.93 1.08 1nr6A1 ILE 229 HD13 0.23 0.00 0.05 -0.04 0.88 1.12 1nr6A1 HIS 230 H 0.17 0.19 -0.33 -0.55 8.41 7.90 1nr6A1 HIS 230 HA -0.05 0.09 0.50 -0.75 4.63 4.41 1nr6A1 HIS 230 HB2 -0.02 -0.01 0.05 -0.04 3.26 3.25 1nr6A1 HIS 230 HB3 0.02 0.11 0.13 -0.04 3.20 3.41 1nr6A1 HIS 230 HD2 -0.09 -0.02 0.03 -0.04 6.97 6.84 1nr6A1 HIS 230 HE1 -0.01 -0.01 -0.01 -0.04 7.75 7.69 1nr6A1 LYS 231 H 0.07 0.43 -0.12 -0.55 8.42 8.24 1nr6A1 LYS 231 HA -0.00 0.13 0.59 -0.75 4.32 4.29 1nr6A1 LYS 231 HB2 0.07 0.09 0.03 -0.04 1.87 2.02 1nr6A1 LYS 231 HB3 0.03 0.01 0.10 -0.04 1.79 1.90 1nr6A1 LYS 231 HG2 0.02 -0.00 -0.06 -0.04 1.46 1.38 1nr6A1 LYS 231 HG3 0.01 -0.05 -0.29 -0.04 1.46 1.09 1nr6A1 LYS 231 HD2 0.03 -0.02 0.09 -0.04 1.69 1.74 1nr6A1 LYS 231 HD3 0.05 0.03 -0.01 -0.04 1.68 1.71 1nr6A1 LYS 231 HE2 0.02 0.01 -0.03 -0.04 2.99 2.95 1nr6A1 LYS 231 HE3 0.01 -0.04 -0.03 -0.04 2.99 2.89 1nr6A1 THR 232 H -0.01 0.37 0.08 -0.55 8.28 8.17 1nr6A1 THR 232 HA -0.02 0.06 0.48 -0.75 4.39 4.16 1nr6A1 THR 232 HB -0.02 0.10 0.03 -0.04 4.32 4.39 1nr6A1 THR 232 HG23 -0.02 -0.02 0.06 -0.04 1.22 1.20 1nr6A1 LEU 233 H -0.08 0.25 -0.56 -0.55 8.37 7.44 1nr6A1 LEU 233 HA -0.05 0.00 0.35 -0.75 4.35 3.90 1nr6A1 LEU 233 HB2 -0.19 0.09 0.01 -0.04 1.64 1.52 1nr6A1 LEU 233 HB3 -0.10 -0.01 0.02 -0.04 1.64 1.51 1nr6A1 LEU 233 HG -0.10 -0.06 -0.09 -0.04 1.64 1.35 1nr6A1 LEU 233 HD13 -0.20 0.06 0.04 -0.04 0.93 0.78 1nr6A1 LEU 233 HD23 -0.05 0.00 0.05 -0.04 0.89 0.85 1nr6A1 LEU 234 H -0.10 0.37 -0.16 -0.55 8.37 7.93 1nr6A1 LEU 234 HA -0.04 0.05 0.39 -0.75 4.35 3.99 1nr6A1 LEU 234 HB2 -0.08 0.06 0.14 -0.04 1.64 1.73 1nr6A1 LEU 234 HB3 -0.03 0.05 0.06 -0.04 1.64 1.68 1nr6A1 LEU 234 HG -0.02 -0.01 0.06 -0.04 1.64 1.62 1nr6A1 LEU 234 HD13 -0.01 0.00 0.01 -0.04 0.93 0.90 1nr6A1 LEU 234 HD23 -0.00 -0.01 -0.08 -0.04 0.89 0.76 1nr6A1 LYS 235 H -0.02 0.17 -0.37 -0.55 8.42 7.65 1nr6A1 LYS 235 HA 0.01 0.07 0.41 -0.75 4.32 4.06 1nr6A1 LYS 235 HB2 -0.00 -0.01 0.08 -0.04 1.87 1.90 1nr6A1 LYS 235 HB3 -0.01 0.09 0.18 -0.04 1.79 2.01 1nr6A1 LYS 235 HG2 -0.00 -0.01 -0.22 -0.04 1.46 1.18 1nr6A1 LYS 235 HG3 0.01 -0.01 0.01 -0.04 1.46 1.43 1nr6A1 LYS 235 HD2 -0.01 -0.00 -0.01 -0.04 1.69 1.63 1nr6A1 LYS 235 HD3 -0.02 -0.00 -0.01 -0.04 1.68 1.61 1nr6A1 LYS 235 HE2 -0.04 -0.01 -0.05 -0.04 2.99 2.85 1nr6A1 LYS 235 HE3 -0.02 -0.00 -0.02 -0.04 2.99 2.91 1nr6A1 ASN 236 H -0.00 0.79 0.15 -0.55 8.53 8.92 1nr6A1 ASN 236 HA 0.09 0.11 0.89 -0.75 4.76 5.09 1nr6A1 ASN 236 HB2 0.02 -0.05 0.13 -0.04 2.88 2.94 1nr6A1 ASN 236 HB3 -0.02 -0.00 0.08 -0.04 2.79 2.81 1nr6A1 ASN 236 HD21 -0.02 -0.05 -0.09 -0.04 7.03 6.83 1nr6A1 ASN 236 HD22 -0.02 -0.02 0.07 -0.04 7.74 7.72 1nr6A1 ALA 237 H 0.00 0.65 0.19 -0.55 8.40 8.70 1nr6A1 ALA 237 HA 0.01 0.00 0.38 -0.75 4.34 3.98 1nr6A1 ALA 237 HB3 -0.01 0.03 0.10 -0.04 1.41 1.49 1nr6A1 ASP 238 H 0.03 0.22 -0.82 -0.55 8.40 7.28 1nr6A1 ASP 238 HA 0.01 0.03 0.53 -0.75 4.63 4.45 1nr6A1 ASP 238 HB2 0.02 0.77 0.23 -0.04 2.71 3.68 1nr6A1 ASP 238 HB3 0.04 0.04 -0.04 -0.04 2.70 2.71 1nr6A1 TYR 239 H 0.13 0.22 -0.24 -0.55 8.29 7.86 1nr6A1 TYR 239 HA 0.02 0.02 0.50 -0.75 4.56 4.34 1nr6A1 TYR 239 HB2 -0.01 0.08 0.21 -0.04 3.06 3.30 1nr6A1 TYR 239 HB3 -0.03 0.13 0.23 -0.04 2.98 3.27 1nr6A1 TYR 239 HD2 -0.03 0.03 -0.08 -0.04 7.15 7.03 1nr6A1 TYR 239 HE2 -0.04 -0.01 -0.13 -0.04 6.85 6.62 1nr6A1 ILE 240 H 0.04 0.60 -0.17 -0.55 8.25 8.16 1nr6A1 ILE 240 HA -0.19 0.01 0.40 -0.75 4.18 3.64 1nr6A1 ILE 240 HB -0.02 0.17 0.17 -0.04 1.89 2.17 1nr6A1 ILE 240 HG12 -0.10 -0.03 -0.04 -0.04 1.49 1.29 1nr6A1 ILE 240 HG13 0.02 0.13 -0.08 -0.04 1.21 1.24 1nr6A1 ILE 240 HG23 -0.09 -0.01 -0.09 -0.04 0.93 0.70 1nr6A1 ILE 240 HD13 -0.01 0.00 -0.09 -0.04 0.88 0.74 1nr6A1 LYS 241 H -0.01 0.61 -0.06 -0.55 8.42 8.40 1nr6A1 LYS 241 HA 0.01 -0.02 0.35 -0.75 4.32 3.91 1nr6A1 LYS 241 HB2 -0.00 0.08 0.15 -0.04 1.87 2.06 1nr6A1 LYS 241 HB3 0.00 -0.08 0.07 -0.04 1.79 1.75 1nr6A1 LYS 241 HG2 0.01 -0.09 0.01 -0.04 1.46 1.36 1nr6A1 LYS 241 HG3 0.01 0.50 0.26 -0.04 1.46 2.18 1nr6A1 LYS 241 HD2 0.01 -0.00 -0.08 -0.04 1.69 1.57 1nr6A1 LYS 241 HD3 0.01 -0.04 -0.02 -0.04 1.68 1.59 1nr6A1 LYS 241 HE2 0.01 -0.03 -0.01 -0.04 2.99 2.93 1nr6A1 LYS 241 HE3 0.01 -0.10 -0.04 -0.04 2.99 2.83 1nr6A1 ASN 242 H -0.06 0.51 -0.55 -0.55 8.53 7.89 1nr6A1 ASN 242 HA -0.04 -0.01 0.50 -0.75 4.76 4.46 1nr6A1 ASN 242 HB2 -0.02 -0.02 0.07 -0.04 2.88 2.87 1nr6A1 ASN 242 HB3 -0.08 0.11 0.21 -0.04 2.79 2.99 1nr6A1 ASN 242 HD21 -0.04 -0.07 -0.11 -0.04 7.03 6.77 1nr6A1 ASN 242 HD22 -0.19 0.08 -0.07 -0.04 7.74 7.53 1nr6A1 PHE 243 H -0.15 0.64 -0.09 -0.55 8.34 8.19 1nr6A1 PHE 243 HA -0.30 -0.02 0.49 -0.75 4.62 4.04 1nr6A1 PHE 243 HB2 -0.76 0.11 0.17 -0.04 3.15 2.63 1nr6A1 PHE 243 HB3 -0.32 0.10 0.21 -0.04 3.06 3.01 1nr6A1 PHE 243 HD2 -0.23 0.02 -0.16 -0.04 7.28 6.88 1nr6A1 PHE 243 HE2 -0.12 -0.09 -0.17 -0.04 7.38 6.97 1nr6A1 PHE 243 HZ -0.81 -0.05 -0.13 -0.04 7.32 6.29 1nr6A1 ILE 244 H 0.08 0.57 -0.16 -0.55 8.25 8.19 1nr6A1 ILE 244 HA 0.25 0.03 0.35 -0.75 4.18 4.06 1nr6A1 ILE 244 HB 0.09 0.09 0.13 -0.04 1.89 2.16 1nr6A1 ILE 244 HG12 0.43 -0.05 -0.06 -0.04 1.49 1.76 1nr6A1 ILE 244 HG13 0.15 0.15 0.03 -0.04 1.21 1.50 1nr6A1 ILE 244 HG23 0.21 -0.02 -0.14 -0.04 0.93 0.95 1nr6A1 ILE 244 HD13 0.08 -0.02 -0.17 -0.04 0.88 0.73 1nr6A1 MET 245 H 0.00 0.64 0.01 -0.55 8.47 8.57 1nr6A1 MET 245 HA 0.00 -0.04 0.37 -0.75 4.52 4.10 1nr6A1 MET 245 HB2 -0.01 0.13 0.20 -0.04 2.15 2.43 1nr6A1 MET 245 HB3 -0.03 0.07 0.14 -0.04 2.03 2.17 1nr6A1 MET 245 HG2 -0.01 0.01 -0.01 -0.04 2.63 2.59 1nr6A1 MET 245 HG3 -0.01 -0.02 -0.11 -0.04 2.56 2.38 1nr6A1 MET 245 HE3 0.00 -0.01 -0.09 -0.04 2.10 1.96 1nr6A1 GLU 246 H -0.10 0.46 -0.41 -0.55 8.60 8.00 1nr6A1 GLU 246 HA -0.07 -0.01 0.38 -0.75 4.29 3.84 1nr6A1 GLU 246 HB2 -0.15 0.19 0.15 -0.04 2.09 2.24 1nr6A1 GLU 246 HB3 -0.28 0.16 0.10 -0.04 1.99 1.92 1nr6A1 GLU 246 HG2 -0.15 -0.03 -0.09 -0.04 2.34 2.03 1nr6A1 GLU 246 HG3 -0.09 -0.05 0.05 -0.04 2.34 2.22 1nr6A1 LYS 247 H -0.20 0.41 -0.17 -0.55 8.42 7.90 1nr6A1 LYS 247 HA -0.08 0.03 0.49 -0.75 4.32 4.01 1nr6A1 LYS 247 HB2 -0.41 0.15 0.19 -0.04 1.87 1.76 1nr6A1 LYS 247 HB3 -0.14 -0.04 -0.05 -0.04 1.79 1.52 1nr6A1 LYS 247 HG2 -1.05 -0.02 0.00 -0.04 1.46 0.35 1nr6A1 LYS 247 HG3 -0.20 -0.01 0.04 -0.04 1.46 1.25 1nr6A1 LYS 247 HD2 -0.49 -0.06 -0.03 -0.04 1.69 1.07 1nr6A1 LYS 247 HD3 -0.96 0.18 0.04 -0.04 1.68 0.90 1nr6A1 LYS 247 HE2 -0.30 -0.02 -0.06 -0.04 2.99 2.57 1nr6A1 LYS 247 HE3 -0.16 -0.00 -0.04 -0.04 2.99 2.74 1nr6A1 VAL 248 H -0.00 0.52 -0.13 -0.55 8.24 8.08 1nr6A1 VAL 248 HA 0.00 -0.01 0.38 -0.75 4.13 3.75 1nr6A1 VAL 248 HB 0.01 0.21 0.18 -0.04 2.12 2.48 1nr6A1 VAL 248 HG13 0.03 -0.02 -0.09 -0.04 0.97 0.84 1nr6A1 VAL 248 HG23 0.03 0.05 -0.06 -0.04 0.95 0.93 1nr6A1 LYS 249 H 0.01 0.52 -0.17 -0.55 8.42 8.23 1nr6A1 LYS 249 HA 0.04 -0.00 0.39 -0.75 4.32 3.99 1nr6A1 LYS 249 HB2 -0.00 0.19 0.14 -0.04 1.87 2.16 1nr6A1 LYS 249 HB3 0.01 -0.04 0.05 -0.04 1.79 1.77 1nr6A1 LYS 249 HG2 0.00 0.24 0.09 -0.04 1.46 1.75 1nr6A1 LYS 249 HG3 -0.00 -0.04 0.01 -0.04 1.46 1.39 1nr6A1 LYS 249 HD2 0.01 -0.01 0.01 -0.04 1.69 1.66 1nr6A1 LYS 249 HD3 0.02 -0.02 0.03 -0.04 1.68 1.68 1nr6A1 LYS 249 HE2 0.02 -0.03 -0.01 -0.04 2.99 2.93 1nr6A1 LYS 249 HE3 0.02 -0.02 -0.03 -0.04 2.99 2.91 1nr6A1 GLU 250 H 0.06 0.31 -0.34 -0.55 8.60 8.09 1nr6A1 GLU 250 HA 0.03 0.02 0.42 -0.75 4.29 4.01 1nr6A1 GLU 250 HB2 0.15 0.20 0.20 -0.04 2.09 2.59 1nr6A1 GLU 250 HB3 0.04 -0.04 0.03 -0.04 1.99 1.98 1nr6A1 GLU 250 HG2 -0.00 -0.06 0.04 -0.04 2.34 2.28 1nr6A1 GLU 250 HG3 -0.00 0.16 0.11 -0.04 2.34 2.57 1nr6A1 HIS 251 H 0.30 0.47 -0.14 -0.55 8.41 8.49 1nr6A1 HIS 251 HA 0.04 0.06 0.45 -0.75 4.63 4.43 1nr6A1 HIS 251 HB2 0.09 0.11 0.14 -0.04 3.26 3.56 1nr6A1 HIS 251 HB3 0.08 -0.10 -0.08 -0.04 3.20 3.06 1nr6A1 HIS 251 HD2 0.13 -0.19 -0.03 -0.04 6.97 6.83 1nr6A1 HIS 251 HE1 0.19 0.03 0.04 -0.04 7.75 7.96 1nr6A1 GLN 252 H 0.12 0.44 -0.22 -0.55 8.47 8.26 1nr6A1 GLN 252 HA 0.08 0.01 0.45 -0.75 4.36 4.14 1nr6A1 GLN 252 HB2 0.05 0.15 0.13 -0.04 2.15 2.43 1nr6A1 GLN 252 HB3 0.05 -0.03 0.06 -0.04 2.02 2.05 1nr6A1 GLN 252 HG2 0.08 -0.05 0.02 -0.04 2.40 2.40 1nr6A1 GLN 252 HG3 0.09 0.19 0.05 -0.04 2.39 2.67 1nr6A1 GLN 252 HE21 0.04 -0.05 -0.02 -0.04 6.97 6.90 1nr6A1 GLN 252 HE22 0.06 0.01 -0.01 -0.04 7.69 7.71 1nr6A1 LYS 253 H 0.04 0.30 -0.34 -0.55 8.42 7.87 1nr6A1 LYS 253 HA 0.01 0.07 0.50 -0.75 4.32 4.16 1nr6A1 LYS 253 HB2 0.01 0.15 0.08 -0.04 1.87 2.06 1nr6A1 LYS 253 HB3 0.00 -0.05 0.07 -0.04 1.79 1.78 1nr6A1 LYS 253 HG2 0.01 -0.04 0.02 -0.04 1.46 1.41 1nr6A1 LYS 253 HG3 0.02 0.12 0.07 -0.04 1.46 1.63 1nr6A1 LYS 253 HD2 0.01 0.02 0.03 -0.04 1.69 1.70 1nr6A1 LYS 253 HD3 0.00 -0.04 0.02 -0.04 1.68 1.63 1nr6A1 LYS 253 HE2 0.00 -0.04 -0.01 -0.04 2.99 2.90 1nr6A1 LYS 253 HE3 0.01 -0.03 0.00 -0.04 2.99 2.93 1nr6A1 LEU 254 H 0.00 0.23 -0.32 -0.55 8.37 7.74 1nr6A1 LEU 254 HA -0.02 0.19 0.88 -0.75 4.35 4.65 1nr6A1 LEU 254 HB2 -0.09 0.03 0.07 -0.04 1.64 1.61 1nr6A1 LEU 254 HB3 -0.07 -0.05 0.15 -0.04 1.64 1.63 1nr6A1 LEU 254 HG -0.03 0.03 -0.11 -0.04 1.64 1.48 1nr6A1 LEU 254 HD13 -0.07 -0.02 -0.01 -0.04 0.93 0.78 1nr6A1 LEU 254 HD23 -0.03 0.02 -0.03 -0.04 0.89 0.81 1nr6A1 LEU 255 H 0.02 0.19 -0.28 -0.55 8.37 7.76 1nr6A1 LEU 255 HA 0.02 -0.05 0.37 -0.75 4.35 3.94 1nr6A1 LEU 255 HB2 0.06 0.10 0.10 -0.04 1.64 1.85 1nr6A1 LEU 255 HB3 0.03 0.05 0.06 -0.04 1.64 1.74 1nr6A1 LEU 255 HG 0.03 -0.10 -0.39 -0.04 1.64 1.14 1nr6A1 LEU 255 HD13 0.07 -0.02 -0.05 -0.04 0.93 0.89 1nr6A1 LEU 255 HD23 0.04 -0.01 -0.13 -0.04 0.89 0.75 1nr6A1 ASP 256 H 0.01 0.19 0.08 -0.55 8.40 8.13 1nr6A1 ASP 256 HA -0.00 0.14 0.78 -0.75 4.63 4.79 1nr6A1 ASP 256 HB2 -0.02 0.16 0.02 -0.04 2.71 2.83 1nr6A1 ASP 256 HB3 -0.01 0.12 0.18 -0.04 2.70 2.95 1nr6A1 VAL 257 H 0.00 0.24 0.00 -0.55 8.24 7.93 1nr6A1 VAL 257 HA 0.01 0.08 0.28 -0.75 4.13 3.74 1nr6A1 VAL 257 HB -0.01 0.04 0.04 -0.04 2.12 2.15 1nr6A1 VAL 257 HG13 0.00 0.02 -0.00 -0.04 0.97 0.95 1nr6A1 VAL 257 HG23 -0.00 0.01 -0.05 -0.04 0.95 0.87 1nr6A1 ASN 258 H -0.00 0.02 -0.30 -0.55 8.53 7.70 1nr6A1 ASN 258 HA -0.00 0.17 0.71 -0.75 4.76 4.88 1nr6A1 ASN 258 HB2 -0.00 -0.03 0.02 -0.04 2.88 2.82 1nr6A1 ASN 258 HB3 -0.00 0.02 0.06 -0.04 2.79 2.82 1nr6A1 ASN 258 HD21 -0.01 0.01 -0.02 -0.04 7.03 6.97 1nr6A1 ASN 258 HD22 -0.01 0.00 -0.00 -0.04 7.74 7.69 1nr6A1 ASN 259 H -0.00 0.23 -0.40 -0.55 8.53 7.82 1nr6A1 ASN 259 HA 0.00 0.24 0.86 -0.75 4.76 5.11 1nr6A1 ASN 259 HB2 -0.00 -0.03 -0.20 -0.04 2.88 2.61 1nr6A1 ASN 259 HB3 -0.01 -0.05 0.11 -0.04 2.79 2.80 1nr6A1 ASN 259 HD21 -0.01 -0.04 -0.01 -0.04 7.03 6.93 1nr6A1 ASN 259 HD22 -0.02 -0.02 0.02 -0.04 7.74 7.68 1nr6A1 PRO 260 HA 0.03 -0.04 0.54 -0.51 4.44 4.46 1nr6A1 PRO 260 HB2 0.05 0.00 -0.05 -0.04 2.28 2.24 1nr6A1 PRO 260 HB3 0.04 0.02 -0.11 -0.04 2.02 1.93 1nr6A1 PRO 260 HG2 0.02 0.02 0.05 -0.04 2.03 2.09 1nr6A1 PRO 260 HG3 0.01 0.06 0.02 -0.04 2.03 2.08 1nr6A1 PRO 260 HD2 0.01 0.16 -0.12 -0.04 3.68 3.69 1nr6A1 PRO 260 HD3 0.01 0.22 -0.19 -0.04 3.65 3.65 1nr6A1 ARG 261 H 0.03 0.01 0.18 -0.55 8.46 8.14 1nr6A1 ARG 261 HA 0.04 0.45 0.93 -0.75 4.34 5.01 1nr6A1 ARG 261 HB2 -0.21 -0.04 0.07 -0.04 1.90 1.68 1nr6A1 ARG 261 HB3 -0.24 -0.00 0.19 -0.04 1.80 1.70 1nr6A1 ARG 261 HG2 -0.05 0.02 -0.22 -0.04 1.67 1.38 1nr6A1 ARG 261 HG3 -0.08 0.13 -0.04 -0.04 1.67 1.64 1nr6A1 ARG 261 HD2 -0.17 -0.06 0.04 -0.04 3.22 2.99 1nr6A1 ARG 261 HD3 -0.10 -0.02 0.01 -0.04 3.22 3.07 1nr6A1 ASP 262 H 0.12 0.05 0.08 -0.55 8.40 8.10 1nr6A1 ASP 262 HA 0.15 0.27 0.48 -0.75 4.63 4.77 1nr6A1 ASP 262 HB2 0.20 -0.00 -0.23 -0.04 2.71 2.64 1nr6A1 ASP 262 HB3 0.28 0.22 -0.21 -0.04 2.70 2.94 1nr6A1 PHE 263 H 0.24 0.72 0.40 -0.55 8.34 9.16 1nr6A1 PHE 263 HA 0.10 0.08 0.41 -0.75 4.62 4.46 1nr6A1 PHE 263 HB2 -0.01 0.13 0.09 -0.04 3.15 3.33 1nr6A1 PHE 263 HB3 -0.00 -0.05 0.21 -0.04 3.06 3.18 1nr6A1 PHE 263 HD2 0.04 0.03 -0.15 -0.04 7.28 7.15 1nr6A1 PHE 263 HE2 0.10 -0.01 -0.04 -0.04 7.38 7.39 1nr6A1 PHE 263 HZ 0.37 -0.00 -0.07 -0.04 7.32 7.58 1nr6A1 ILE 264 H 0.25 0.43 0.00 -0.55 8.25 8.38 1nr6A1 ILE 264 HA 0.21 0.03 0.37 -0.75 4.18 4.03 1nr6A1 ILE 264 HB -0.05 0.08 0.11 -0.04 1.89 1.98 1nr6A1 ILE 264 HG12 0.10 -0.07 -0.02 -0.04 1.49 1.46 1nr6A1 ILE 264 HG13 0.12 0.07 0.06 -0.04 1.21 1.42 1nr6A1 ILE 264 HG23 0.02 -0.01 -0.13 -0.04 0.93 0.77 1nr6A1 ILE 264 HD13 0.06 -0.00 -0.11 -0.04 0.88 0.78 1nr6A1 ASP 265 H 0.24 0.15 -0.17 -0.55 8.40 8.07 1nr6A1 ASP 265 HA 0.16 0.06 0.33 -0.75 4.63 4.43 1nr6A1 ASP 265 HB2 0.13 0.01 0.17 -0.04 2.71 2.98 1nr6A1 ASP 265 HB3 0.09 0.06 0.01 -0.04 2.70 2.82 1nr6A1 CYS 266 H 0.13 0.48 -0.18 -0.55 8.50 8.38 1nr6A1 CYS 266 HA 0.08 0.04 0.41 -0.75 4.58 4.35 1nr6A1 CYS 266 HB2 0.05 0.11 0.14 -0.04 2.97 3.23 1nr6A1 CYS 266 HB3 0.07 -0.03 0.03 -0.04 2.97 3.01 1nr6A1 PHE 267 H 0.26 0.46 -0.24 -0.55 8.34 8.27 1nr6A1 PHE 267 HA -0.34 0.02 0.43 -0.75 4.62 3.98 1nr6A1 PHE 267 HB2 -0.17 0.10 0.11 -0.04 3.15 3.15 1nr6A1 PHE 267 HB3 0.00 0.08 0.15 -0.04 3.06 3.24 1nr6A1 PHE 267 HD2 -0.21 0.04 -0.24 -0.04 7.28 6.83 1nr6A1 PHE 267 HE2 -0.09 0.01 -0.19 -0.04 7.38 7.07 1nr6A1 PHE 267 HZ -0.19 -0.08 -0.03 -0.04 7.32 6.98 1nr6A1 LEU 268 H 0.22 0.76 0.03 -0.55 8.37 8.83 1nr6A1 LEU 268 HA 0.18 -0.02 0.35 -0.75 4.35 4.10 1nr6A1 LEU 268 HB2 0.14 0.09 0.15 -0.04 1.64 1.98 1nr6A1 LEU 268 HB3 0.09 -0.01 -0.07 -0.04 1.64 1.62 1nr6A1 LEU 268 HG 0.10 -0.01 -0.02 -0.04 1.64 1.67 1nr6A1 LEU 268 HD13 0.15 -0.01 -0.05 -0.04 0.93 0.98 1nr6A1 LEU 268 HD23 0.15 0.02 -0.23 -0.04 0.89 0.79 1nr6A1 ILE 269 H 0.05 0.58 -0.28 -0.55 8.25 8.05 1nr6A1 ILE 269 HA -0.01 -0.01 0.48 -0.75 4.18 3.89 1nr6A1 ILE 269 HB 0.00 0.14 0.17 -0.04 1.89 2.17 1nr6A1 ILE 269 HG12 0.01 -0.11 -0.01 -0.04 1.49 1.34 1nr6A1 ILE 269 HG13 0.04 0.14 0.02 -0.04 1.21 1.37 1nr6A1 ILE 269 HG23 -0.03 -0.01 -0.03 -0.04 0.93 0.82 1nr6A1 ILE 269 HD13 0.02 0.03 -0.06 -0.04 0.88 0.83 1nr6A1 LYS 270 H -0.13 0.52 -0.09 -0.55 8.42 8.17 1nr6A1 LYS 270 HA -0.26 -0.05 0.36 -0.75 4.32 3.62 1nr6A1 LYS 270 HB2 -0.35 0.10 0.18 -0.04 1.87 1.76 1nr6A1 LYS 270 HB3 -0.78 0.15 0.18 -0.04 1.79 1.29 1nr6A1 LYS 270 HG2 -2.10 -0.04 -0.00 -0.04 1.46 -0.71 1nr6A1 LYS 270 HG3 -1.09 -0.08 0.03 -0.04 1.46 0.29 1nr6A1 LYS 270 HD2 -0.36 -0.02 0.08 -0.04 1.69 1.35 1nr6A1 LYS 270 HD3 -0.26 0.06 0.04 -0.04 1.68 1.47 1nr6A1 LYS 270 HE2 -0.65 0.01 0.00 -0.04 2.99 2.31 1nr6A1 LYS 270 HE3 -0.62 -0.09 0.03 -0.04 2.99 2.26 1nr6A1 MET 271 H -0.14 0.30 -0.59 -0.55 8.47 7.50 1nr6A1 MET 271 HA -0.12 0.03 0.52 -0.75 4.52 4.20 1nr6A1 MET 271 HB2 0.04 0.14 0.11 -0.04 2.15 2.41 1nr6A1 MET 271 HB3 0.04 -0.04 -0.10 -0.04 2.03 1.89 1nr6A1 MET 271 HG2 0.13 0.25 -0.12 -0.04 2.63 2.86 1nr6A1 MET 271 HG3 0.03 0.04 -0.15 -0.04 2.56 2.44 1nr6A1 MET 271 HE3 0.12 -0.01 -0.04 -0.04 2.10 2.13 1nr6A1 GLU 272 H -0.03 0.44 0.01 -0.55 8.60 8.47 1nr6A1 GLU 272 HA -0.01 -0.02 0.41 -0.75 4.29 3.92 1nr6A1 GLU 272 HB2 -0.00 0.10 0.19 -0.04 2.09 2.33 1nr6A1 GLU 272 HB3 -0.02 -0.03 0.20 -0.04 1.99 2.09 1nr6A1 GLU 272 HG2 -0.01 -0.01 -0.10 -0.04 2.34 2.18 1nr6A1 GLU 272 HG3 0.00 -0.02 0.04 -0.04 2.34 2.32 1nr6A1 GLN 273 H -0.06 0.35 -0.03 -0.55 8.47 8.19 1nr6A1 GLN 273 HA -0.04 0.03 0.53 -0.75 4.36 4.13 1nr6A1 GLN 273 HB2 -0.08 -0.09 0.17 -0.04 2.15 2.11 1nr6A1 GLN 273 HB3 -0.05 -0.00 0.06 -0.04 2.02 1.98 1nr6A1 GLN 273 HG2 -0.03 -0.02 0.02 -0.04 2.40 2.32 1nr6A1 GLN 273 HG3 -0.04 0.03 0.08 -0.04 2.39 2.42 1nr6A1 GLN 273 HE21 -0.04 -0.02 0.00 -0.04 6.97 6.87 1nr6A1 GLN 273 HE22 -0.04 0.02 0.01 -0.04 7.69 7.64 1nr6A1 GLU 274 H -0.12 0.05 -0.00 -0.55 8.60 7.98 1nr6A1 GLU 274 HA -0.15 -0.05 0.37 -0.75 4.29 3.71 1nr6A1 GLU 274 HB2 -0.12 -0.54 0.33 -0.04 2.09 1.72 1nr6A1 GLU 274 HB3 -0.14 0.33 0.17 -0.04 1.99 2.30 1nr6A1 GLU 274 HG2 -0.04 0.49 -0.29 -0.04 2.34 2.45 1nr6A1 GLU 274 HG3 -0.04 0.10 -0.22 -0.04 2.34 2.13 1nr6A1 ASN 275 H -0.07 -0.33 0.33 -0.55 8.53 7.91 1nr6A1 ASN 275 HA -0.02 0.09 0.33 -0.75 4.76 4.40 1nr6A1 ASN 275 HB2 -0.04 0.28 0.24 -0.04 2.88 3.32 1nr6A1 ASN 275 HB3 -0.04 -0.07 -0.07 -0.04 2.79 2.56 1nr6A1 ASN 275 HD21 -0.00 -0.02 0.05 -0.04 7.03 7.01 1nr6A1 ASN 275 HD22 -0.01 -0.05 -0.08 -0.04 7.74 7.55 1nr6A1 ASN 276 H -0.08 -0.09 0.26 -0.55 8.53 8.08 1nr6A1 ASN 276 HA 0.04 0.07 0.57 -0.75 4.76 4.69 1nr6A1 ASN 276 HB2 0.02 0.09 0.18 -0.04 2.88 3.13 1nr6A1 ASN 276 HB3 0.31 -0.06 0.05 -0.04 2.79 3.05 1nr6A1 ASN 276 HD21 -0.12 0.06 -0.01 -0.04 7.03 6.92 1nr6A1 ASN 276 HD22 0.03 -0.02 0.00 -0.04 7.74 7.71 1nr6A1 LEU 277 H 0.05 0.21 0.26 -0.55 8.37 8.35 1nr6A1 LEU 277 HA 0.05 0.21 0.52 -0.75 4.35 4.37 1nr6A1 LEU 277 HB2 0.03 -0.02 0.05 -0.04 1.64 1.66 1nr6A1 LEU 277 HB3 0.03 0.01 0.12 -0.04 1.64 1.77 1nr6A1 LEU 277 HG 0.02 0.06 0.14 -0.04 1.64 1.83 1nr6A1 LEU 277 HD13 0.02 -0.00 0.04 -0.04 0.93 0.94 1nr6A1 LEU 277 HD23 0.02 0.01 -0.10 -0.04 0.89 0.77 1nr6A1 GLU 278 H 0.11 0.01 -0.20 -0.55 8.60 7.97 1nr6A1 GLU 278 HA -0.03 0.13 0.53 -0.75 4.29 4.17 1nr6A1 GLU 278 HB2 -0.03 -0.01 -0.00 -0.04 2.09 2.01 1nr6A1 GLU 278 HB3 -0.24 0.05 0.10 -0.04 1.99 1.85 1nr6A1 GLU 278 HG2 0.02 -0.07 0.00 -0.04 2.34 2.25 1nr6A1 GLU 278 HG3 -0.00 0.04 -0.02 -0.04 2.34 2.32 1nr6A1 PHE 279 H 0.22 0.25 -0.55 -0.55 8.34 7.69 1nr6A1 PHE 279 HA 0.08 0.10 0.90 -0.75 4.62 4.96 1nr6A1 PHE 279 HB2 -0.23 0.13 0.09 -0.04 3.15 3.09 1nr6A1 PHE 279 HB3 -0.52 0.04 -0.08 -0.04 3.06 2.46 1nr6A1 PHE 279 HD2 -1.42 -0.08 -0.10 -0.04 7.28 5.63 1nr6A1 PHE 279 HE2 -0.88 -0.02 -0.07 -0.04 7.38 6.37 1nr6A1 PHE 279 HZ -0.21 0.11 -0.09 -0.04 7.32 7.08 1nr6A1 THR 280 H 0.21 0.14 0.12 -0.55 8.28 8.21 1nr6A1 THR 280 HA 0.15 0.33 0.85 -0.75 4.39 4.96 1nr6A1 THR 280 HB 0.06 -0.05 0.16 -0.04 4.32 4.45 1nr6A1 THR 280 HG23 0.06 0.07 -0.22 -0.04 1.22 1.08 1nr6A1 LEU 281 H 0.07 0.26 0.16 -0.55 8.37 8.32 1nr6A1 LEU 281 HA -0.01 0.13 0.49 -0.75 4.35 4.21 1nr6A1 LEU 281 HB2 0.03 0.01 0.12 -0.04 1.64 1.75 1nr6A1 LEU 281 HB3 0.01 0.03 0.06 -0.04 1.64 1.70 1nr6A1 LEU 281 HG 0.06 0.02 0.06 -0.04 1.64 1.74 1nr6A1 LEU 281 HD13 0.03 0.02 0.00 -0.04 0.93 0.94 1nr6A1 LEU 281 HD23 0.06 0.01 -0.05 -0.04 0.89 0.87 1nr6A1 GLU 282 H 0.03 0.09 -0.12 -0.55 8.60 8.05 1nr6A1 GLU 282 HA 0.00 0.13 0.46 -0.75 4.29 4.13 1nr6A1 GLU 282 HB2 0.02 0.04 0.08 -0.04 2.09 2.18 1nr6A1 GLU 282 HB3 0.02 -0.02 0.06 -0.04 1.99 2.01 1nr6A1 GLU 282 HG2 0.01 0.01 -0.26 -0.04 2.34 2.06 1nr6A1 GLU 282 HG3 0.01 0.02 0.02 -0.04 2.34 2.35 1nr6A1 SER 283 H 0.03 0.04 -0.22 -0.55 8.46 7.77 1nr6A1 SER 283 HA 0.00 0.10 0.50 -0.75 4.49 4.34 1nr6A1 SER 283 HB2 -0.01 0.02 0.18 -0.04 3.95 4.10 1nr6A1 SER 283 HB3 0.01 0.04 0.13 -0.04 3.93 4.08 1nr6A1 LEU 284 H -0.16 0.36 -0.32 -0.55 8.37 7.70 1nr6A1 LEU 284 HA -0.75 0.06 0.46 -0.75 4.35 3.37 1nr6A1 LEU 284 HB2 -1.55 0.06 0.06 -0.04 1.64 0.16 1nr6A1 LEU 284 HB3 -0.33 0.08 0.19 -0.04 1.64 1.53 1nr6A1 LEU 284 HG -0.18 -0.01 -0.24 -0.04 1.64 1.17 1nr6A1 LEU 284 HD13 -0.39 -0.02 -0.02 -0.04 0.93 0.46 1nr6A1 LEU 284 HD23 -0.14 -0.00 -0.03 -0.04 0.89 0.68 1nr6A1 VAL 285 H -0.09 0.48 -0.14 -0.55 8.24 7.95 1nr6A1 VAL 285 HA 0.01 -0.00 0.29 -0.75 4.13 3.67 1nr6A1 VAL 285 HB -0.01 0.13 0.20 -0.04 2.12 2.41 1nr6A1 VAL 285 HG13 0.02 -0.00 -0.04 -0.04 0.97 0.90 1nr6A1 VAL 285 HG23 -0.00 0.03 0.08 -0.04 0.95 1.01 1nr6A1 ILE 286 H -0.01 0.42 -0.21 -0.55 8.25 7.90 1nr6A1 ILE 286 HA 0.03 0.06 0.46 -0.75 4.18 3.98 1nr6A1 ILE 286 HB 0.02 0.02 0.12 -0.04 1.89 2.02 1nr6A1 ILE 286 HG12 0.03 0.14 -0.01 -0.04 1.49 1.61 1nr6A1 ILE 286 HG13 0.03 -0.01 -0.01 -0.04 1.21 1.19 1nr6A1 ILE 286 HG23 0.05 0.00 -0.25 -0.04 0.93 0.69 1nr6A1 ILE 286 HD13 0.01 0.04 0.02 -0.04 0.88 0.92 1nr6A1 ALA 287 H 0.01 0.61 -0.13 -0.55 8.40 8.34 1nr6A1 ALA 287 HA 0.05 -0.13 0.49 -0.75 4.34 3.99 1nr6A1 ALA 287 HB3 0.17 0.04 0.14 -0.04 1.41 1.72 1nr6A1 VAL 288 H 0.01 0.64 -0.18 -0.55 8.24 8.15 1nr6A1 VAL 288 HA -0.21 0.00 0.42 -0.75 4.13 3.59 1nr6A1 VAL 288 HB 0.06 0.12 0.10 -0.04 2.12 2.36 1nr6A1 VAL 288 HG13 0.15 -0.02 -0.10 -0.04 0.97 0.96 1nr6A1 VAL 288 HG23 -0.02 0.04 -0.02 -0.04 0.95 0.91 1nr6A1 SER 289 H 0.05 0.52 -0.19 -0.55 8.46 8.29 1nr6A1 SER 289 HA 0.11 -0.01 0.38 -0.75 4.49 4.21 1nr6A1 SER 289 HB2 0.04 0.15 0.22 -0.04 3.95 4.32 1nr6A1 SER 289 HB3 0.05 -0.04 0.00 -0.04 3.93 3.90 1nr6A1 ASP 290 H 0.01 0.54 -0.19 -0.55 8.40 8.22 1nr6A1 ASP 290 HA -0.02 0.05 0.44 -0.75 4.63 4.35 1nr6A1 ASP 290 HB2 -0.03 0.22 0.26 -0.04 2.71 3.11 1nr6A1 ASP 290 HB3 -0.10 -0.07 0.07 -0.04 2.70 2.55 1nr6A1 LEU 291 H -0.08 0.50 -0.07 -0.55 8.37 8.17 1nr6A1 LEU 291 HA -0.11 -0.01 0.42 -0.75 4.35 3.90 1nr6A1 LEU 291 HB2 -0.32 0.10 0.15 -0.04 1.64 1.53 1nr6A1 LEU 291 HB3 -0.31 -0.03 0.01 -0.04 1.64 1.27 1nr6A1 LEU 291 HG -0.17 0.12 0.10 -0.04 1.64 1.65 1nr6A1 LEU 291 HD13 -0.70 -0.01 -0.05 -0.04 0.93 0.13 1nr6A1 LEU 291 HD23 -0.12 -0.01 -0.02 -0.04 0.89 0.69 1nr6A1 PHE 292 H 0.07 0.59 -0.14 -0.55 8.34 8.31 1nr6A1 PHE 292 HA -0.05 -0.01 0.38 -0.75 4.62 4.19 1nr6A1 PHE 292 HB2 -0.04 0.17 0.18 -0.04 3.15 3.42 1nr6A1 PHE 292 HB3 -0.03 -0.03 -0.04 -0.04 3.06 2.92 1nr6A1 PHE 292 HD2 -0.04 0.07 -0.02 -0.04 7.28 7.26 1nr6A1 PHE 292 HE2 -0.06 0.04 -0.03 -0.04 7.38 7.28 1nr6A1 PHE 292 HZ 0.14 -0.04 -0.10 -0.04 7.32 7.28 1nr6A1 GLY 293 H 0.10 0.64 -0.12 -0.55 8.43 8.51 1nr6A1 GLY 293 HA2 0.07 -0.03 0.41 -0.51 4.01 3.95 1nr6A1 GLY 293 HA3 0.05 0.07 0.35 -0.51 4.01 3.97 1nr6A1 ALA 294 H -0.02 0.77 -0.02 -0.55 8.40 8.59 1nr6A1 ALA 294 HA -0.03 0.09 0.60 -0.75 4.34 4.25 1nr6A1 ALA 294 HB3 -0.06 -0.02 0.10 -0.04 1.41 1.39 1nr6A1 GLY 295 H -0.02 0.63 -0.10 -0.55 8.43 8.39 1nr6A1 GLY 295 HA2 0.01 0.08 0.66 -0.51 4.01 4.26 1nr6A1 GLY 295 HA3 -0.04 0.04 0.30 -0.51 4.01 3.80 1nr6A1 THR 296 H 0.04 0.45 -0.08 -0.55 8.28 8.14 1nr6A1 THR 296 HA 0.05 0.10 0.56 -0.75 4.39 4.34 1nr6A1 THR 296 HB 0.07 0.02 0.20 -0.04 4.32 4.56 1nr6A1 THR 296 HG23 0.02 -0.02 -0.06 -0.04 1.22 1.13 1nr6A1 GLU 297 H 0.04 0.28 0.04 -0.55 8.60 8.41 1nr6A1 GLU 297 HA 0.02 0.07 0.38 -0.75 4.29 4.01 1nr6A1 GLU 297 HB2 0.06 0.02 0.10 -0.04 2.09 2.23 1nr6A1 GLU 297 HB3 0.05 0.09 0.08 -0.04 1.99 2.17 1nr6A1 GLU 297 HG2 0.06 -0.02 0.03 -0.04 2.34 2.37 1nr6A1 GLU 297 HG3 0.11 0.03 -0.01 -0.04 2.34 2.43 1nr6A1 THR 298 H 0.03 0.20 -0.28 -0.55 8.28 7.69 1nr6A1 THR 298 HA 0.04 0.09 0.36 -0.75 4.39 4.13 1nr6A1 THR 298 HB 0.02 -0.01 -0.05 -0.04 4.32 4.23 1nr6A1 THR 298 HG23 0.01 0.00 0.02 -0.04 1.22 1.22 1nr6A1 THR 299 H 0.05 0.24 -0.30 -0.55 8.28 7.73 1nr6A1 THR 299 HA 0.08 0.03 0.40 -0.75 4.39 4.15 1nr6A1 THR 299 HB 0.08 0.12 0.14 -0.04 4.32 4.62 1nr6A1 THR 299 HG23 0.14 -0.02 -0.00 -0.04 1.22 1.30 1nr6A1 SER 300 H 0.04 0.50 -0.15 -0.55 8.46 8.30 1nr6A1 SER 300 HA 0.00 0.15 0.41 -0.75 4.49 4.31 1nr6A1 SER 300 HB2 -0.03 0.04 0.20 -0.04 3.95 4.12 1nr6A1 SER 300 HB3 -0.00 0.01 0.19 -0.04 3.93 4.09 1nr6A1 THR 301 H 0.04 0.62 -0.16 -0.55 8.28 8.23 1nr6A1 THR 301 HA 0.05 -0.00 0.39 -0.75 4.39 4.08 1nr6A1 THR 301 HB 0.08 0.06 0.11 -0.04 4.32 4.53 1nr6A1 THR 301 HG23 0.12 -0.01 -0.02 -0.04 1.22 1.27 1nr6A1 THR 302 H 0.08 0.50 -0.22 -0.55 8.28 8.09 1nr6A1 THR 302 HA 0.14 0.05 0.41 -0.75 4.39 4.24 1nr6A1 THR 302 HB 0.08 0.05 0.15 -0.04 4.32 4.56 1nr6A1 THR 302 HG23 0.06 -0.03 -0.11 -0.04 1.22 1.11 1nr6A1 LEU 303 H 0.09 0.67 -0.12 -0.55 8.37 8.46 1nr6A1 LEU 303 HA 0.11 -0.02 0.39 -0.75 4.35 4.08 1nr6A1 LEU 303 HB2 0.05 0.19 0.18 -0.04 1.64 2.02 1nr6A1 LEU 303 HB3 0.06 -0.08 -0.03 -0.04 1.64 1.56 1nr6A1 LEU 303 HG 0.14 0.16 0.04 -0.04 1.64 1.94 1nr6A1 LEU 303 HD13 0.10 -0.00 -0.04 -0.04 0.93 0.94 1nr6A1 LEU 303 HD23 0.20 -0.03 -0.05 -0.04 0.89 0.97 1nr6A1 ARG 304 H 0.08 0.64 -0.14 -0.55 8.46 8.49 1nr6A1 ARG 304 HA 0.14 -0.03 0.38 -0.75 4.34 4.07 1nr6A1 ARG 304 HB2 0.03 0.03 0.04 -0.04 1.90 1.95 1nr6A1 ARG 304 HB3 0.06 0.11 0.11 -0.04 1.80 2.04 1nr6A1 ARG 304 HG2 0.19 0.08 -0.15 -0.04 1.67 1.74 1nr6A1 ARG 304 HG3 0.08 -0.09 -0.03 -0.04 1.67 1.60 1nr6A1 ARG 304 HD2 -0.12 -0.10 -0.04 -0.04 3.22 2.91 1nr6A1 ARG 304 HD3 -0.05 -0.04 -0.07 -0.04 3.22 3.01 1nr6A1 TYR 305 H 0.21 0.62 -0.18 -0.55 8.29 8.38 1nr6A1 TYR 305 HA 0.03 0.03 0.42 -0.75 4.56 4.28 1nr6A1 TYR 305 HB2 0.05 0.26 0.18 -0.04 3.06 3.51 1nr6A1 TYR 305 HB3 0.06 -0.00 -0.01 -0.04 2.98 2.99 1nr6A1 TYR 305 HD2 0.02 -0.03 0.02 -0.04 7.15 7.12 1nr6A1 TYR 305 HE2 0.06 0.03 -0.19 -0.04 6.85 6.71 1nr6A1 SER 306 H 0.16 0.52 -0.26 -0.55 8.46 8.34 1nr6A1 SER 306 HA 0.06 -0.01 0.35 -0.75 4.49 4.14 1nr6A1 SER 306 HB2 0.10 0.15 0.17 -0.04 3.95 4.34 1nr6A1 SER 306 HB3 0.08 -0.09 -0.00 -0.04 3.93 3.88 1nr6A1 LEU 307 H 0.10 0.51 -0.15 -0.55 8.37 8.28 1nr6A1 LEU 307 HA 0.03 -0.00 0.32 -0.75 4.35 3.94 1nr6A1 LEU 307 HB2 0.22 0.12 0.07 -0.04 1.64 2.01 1nr6A1 LEU 307 HB3 0.10 -0.05 -0.03 -0.04 1.64 1.62 1nr6A1 LEU 307 HG 0.14 0.22 0.03 -0.04 1.64 2.00 1nr6A1 LEU 307 HD13 0.26 -0.02 -0.08 -0.04 0.93 1.05 1nr6A1 LEU 307 HD23 0.12 -0.03 -0.09 -0.04 0.89 0.85 1nr6A1 LEU 308 H -0.09 0.43 -0.32 -0.55 8.37 7.84 1nr6A1 LEU 308 HA -0.64 -0.01 0.26 -0.75 4.35 3.21 1nr6A1 LEU 308 HB2 -0.81 0.04 0.07 -0.04 1.64 0.89 1nr6A1 LEU 308 HB3 -0.15 0.16 0.14 -0.04 1.64 1.74 1nr6A1 LEU 308 HG -0.21 -0.05 -0.24 -0.04 1.64 1.10 1nr6A1 LEU 308 HD13 -0.64 -0.02 -0.05 -0.04 0.93 0.18 1nr6A1 LEU 308 HD23 -0.24 0.07 0.01 -0.04 0.89 0.69 1nr6A1 LEU 309 H -0.08 0.59 -0.14 -0.55 8.37 8.20 1nr6A1 LEU 309 HA -0.25 0.03 0.46 -0.75 4.35 3.84 1nr6A1 LEU 309 HB2 -0.26 0.11 0.11 -0.04 1.64 1.57 1nr6A1 LEU 309 HB3 -0.91 -0.08 0.00 -0.04 1.64 0.61 1nr6A1 LEU 309 HG 0.02 0.09 0.03 -0.04 1.64 1.75 1nr6A1 LEU 309 HD13 -0.22 -0.01 -0.06 -0.04 0.93 0.60 1nr6A1 LEU 309 HD23 -0.44 -0.01 -0.02 -0.04 0.89 0.38 1nr6A1 LEU 310 H -0.09 0.51 -0.28 -0.55 8.37 7.96 1nr6A1 LEU 310 HA 0.00 0.01 0.41 -0.75 4.35 4.02 1nr6A1 LEU 310 HB2 -0.02 0.15 0.10 -0.04 1.64 1.83 1nr6A1 LEU 310 HB3 0.01 -0.09 -0.01 -0.04 1.64 1.51 1nr6A1 LEU 310 HG 0.02 0.18 -0.02 -0.04 1.64 1.77 1nr6A1 LEU 310 HD13 0.06 -0.02 -0.12 -0.04 0.93 0.80 1nr6A1 LEU 310 HD23 0.09 -0.04 -0.09 -0.04 0.89 0.82 1nr6A1 LEU 311 H -0.14 0.49 -0.23 -0.55 8.37 7.94 1nr6A1 LEU 311 HA -0.09 0.01 0.43 -0.75 4.35 3.94 1nr6A1 LEU 311 HB2 -0.22 0.20 0.12 -0.04 1.64 1.70 1nr6A1 LEU 311 HB3 -0.14 -0.08 -0.04 -0.04 1.64 1.34 1nr6A1 LEU 311 HG -0.12 0.16 -0.07 -0.04 1.64 1.56 1nr6A1 LEU 311 HD13 -0.13 -0.03 -0.14 -0.04 0.93 0.59 1nr6A1 LEU 311 HD23 -0.10 -0.03 -0.22 -0.04 0.89 0.50 1nr6A1 LYS 312 H -0.21 0.44 -0.20 -0.55 8.42 7.89 1nr6A1 LYS 312 HA -0.25 0.00 0.53 -0.75 4.32 3.85 1nr6A1 LYS 312 HB2 -0.26 0.05 0.06 -0.04 1.87 1.68 1nr6A1 LYS 312 HB3 -0.40 0.07 0.13 -0.04 1.79 1.54 1nr6A1 LYS 312 HG2 -0.33 -0.04 -0.02 -0.04 1.46 1.02 1nr6A1 LYS 312 HG3 -0.95 -0.06 -0.09 -0.04 1.46 0.32 1nr6A1 LYS 312 HD2 -0.22 -0.02 0.16 -0.04 1.69 1.57 1nr6A1 LYS 312 HD3 -0.16 0.02 -0.01 -0.04 1.68 1.50 1nr6A1 LYS 312 HE2 -0.07 -0.09 0.03 -0.04 2.99 2.82 1nr6A1 LYS 312 HE3 -0.15 -0.12 0.02 -0.04 2.99 2.70 1nr6A1 HIS 313 H -0.12 0.43 -0.36 -0.55 8.41 7.82 1nr6A1 HIS 313 HA -0.01 0.13 0.83 -0.75 4.63 4.83 1nr6A1 HIS 313 HB2 0.02 0.04 0.23 -0.04 3.26 3.50 1nr6A1 HIS 313 HB3 0.08 -0.14 0.14 -0.04 3.20 3.24 1nr6A1 HIS 313 HD2 -0.56 0.08 0.02 -0.04 6.97 6.46 1nr6A1 HIS 313 HE1 0.00 -0.03 0.01 -0.04 7.75 7.68 1nr6A1 PRO 314 HA 0.02 0.19 0.49 -0.51 4.44 4.64 1nr6A1 PRO 314 HB2 0.01 -0.04 0.01 -0.04 2.28 2.22 1nr6A1 PRO 314 HB3 -0.01 0.07 0.16 -0.04 2.02 2.20 1nr6A1 PRO 314 HG2 -0.02 -0.03 0.09 -0.04 2.03 2.03 1nr6A1 PRO 314 HG3 -0.04 0.28 0.09 -0.04 2.03 2.32 1nr6A1 PRO 314 HD2 0.02 -0.03 0.12 -0.04 3.68 3.75 1nr6A1 PRO 314 HD3 -0.06 0.37 -0.33 -0.04 3.65 3.60 1nr6A1 GLU 315 H 0.08 0.18 -0.24 -0.55 8.60 8.07 1nr6A1 GLU 315 HA 0.04 0.08 0.48 -0.75 4.29 4.13 1nr6A1 GLU 315 HB2 0.03 0.01 0.09 -0.04 2.09 2.18 1nr6A1 GLU 315 HB3 0.05 0.03 0.09 -0.04 1.99 2.11 1nr6A1 GLU 315 HG2 0.10 0.03 -0.32 -0.04 2.34 2.12 1nr6A1 GLU 315 HG3 0.06 0.02 -0.04 -0.04 2.34 2.34 1nr6A1 VAL 316 H 0.15 0.41 -0.24 -0.55 8.24 8.01 1nr6A1 VAL 316 HA 0.29 0.02 0.45 -0.75 4.13 4.13 1nr6A1 VAL 316 HB 0.23 0.35 0.21 -0.04 2.12 2.86 1nr6A1 VAL 316 HG13 0.26 -0.01 -0.12 -0.04 0.97 1.05 1nr6A1 VAL 316 HG23 0.26 -0.02 0.02 -0.04 0.95 1.17 1nr6A1 ALA 317 H 0.10 0.33 -0.03 -0.55 8.40 8.26 1nr6A1 ALA 317 HA 0.10 0.02 0.40 -0.75 4.34 4.11 1nr6A1 ALA 317 HB3 0.05 0.05 0.12 -0.04 1.41 1.59 1nr6A1 ALA 318 H 0.06 0.50 -0.22 -0.55 8.40 8.19 1nr6A1 ALA 318 HA 0.02 0.07 0.48 -0.75 4.34 4.16 1nr6A1 ALA 318 HB3 0.01 0.02 0.11 -0.04 1.41 1.52 1nr6A1 ARG 319 H 0.03 0.51 -0.15 -0.55 8.46 8.31 1nr6A1 ARG 319 HA -0.12 0.02 0.49 -0.75 4.34 3.97 1nr6A1 ARG 319 HB2 -0.16 0.12 0.19 -0.04 1.90 2.00 1nr6A1 ARG 319 HB3 -0.94 -0.07 0.03 -0.04 1.80 0.78 1nr6A1 ARG 319 HG2 -0.25 -0.05 0.04 -0.04 1.67 1.38 1nr6A1 ARG 319 HG3 -0.10 0.03 0.07 -0.04 1.67 1.63 1nr6A1 ARG 319 HD2 -0.03 0.05 -0.07 -0.04 3.22 3.13 1nr6A1 ARG 319 HD3 -0.33 -0.04 -0.01 -0.04 3.22 2.79 1nr6A1 VAL 320 H 0.17 0.52 -0.22 -0.55 8.24 8.16 1nr6A1 VAL 320 HA 0.26 -0.06 0.42 -0.75 4.13 3.99 1nr6A1 VAL 320 HB 0.14 0.18 0.15 -0.04 2.12 2.54 1nr6A1 VAL 320 HG13 0.08 -0.02 -0.15 -0.04 0.97 0.85 1nr6A1 VAL 320 HG23 0.25 0.01 -0.02 -0.04 0.95 1.15 1nr6A1 GLN 321 H 0.06 0.53 -0.15 -0.55 8.47 8.36 1nr6A1 GLN 321 HA 0.03 0.04 0.42 -0.75 4.36 4.09 1nr6A1 GLN 321 HB2 0.02 0.07 0.22 -0.04 2.15 2.42 1nr6A1 GLN 321 HB3 0.01 -0.04 0.04 -0.04 2.02 1.99 1nr6A1 GLN 321 HG2 0.03 0.27 0.08 -0.04 2.40 2.74 1nr6A1 GLN 321 HG3 0.05 -0.02 0.12 -0.04 2.39 2.50 1nr6A1 GLN 321 HE21 0.04 -0.17 0.10 -0.04 6.97 6.90 1nr6A1 GLN 321 HE22 0.05 0.46 0.21 -0.04 7.69 8.37 1nr6A1 GLU 322 H 0.00 0.45 -0.25 -0.55 8.60 8.25 1nr6A1 GLU 322 HA -0.00 0.02 0.42 -0.75 4.29 3.97 1nr6A1 GLU 322 HB2 -0.03 0.07 0.13 -0.04 2.09 2.22 1nr6A1 GLU 322 HB3 -0.05 0.14 0.16 -0.04 1.99 2.19 1nr6A1 GLU 322 HG2 -0.02 -0.03 0.06 -0.04 2.34 2.31 1nr6A1 GLU 322 HG3 -0.04 -0.03 0.01 -0.04 2.34 2.25 1nr6A1 GLU 323 H 0.02 0.44 -0.23 -0.55 8.60 8.29 1nr6A1 GLU 323 HA 0.03 0.03 0.54 -0.75 4.29 4.13 1nr6A1 GLU 323 HB2 0.07 0.11 0.19 -0.04 2.09 2.42 1nr6A1 GLU 323 HB3 0.11 0.08 0.15 -0.04 1.99 2.28 1nr6A1 GLU 323 HG2 0.09 0.03 0.08 -0.04 2.34 2.51 1nr6A1 GLU 323 HG3 0.07 0.04 0.13 -0.04 2.34 2.54 1nr6A1 ILE 324 H 0.04 0.52 -0.13 -0.55 8.25 8.13 1nr6A1 ILE 324 HA 0.04 -0.04 0.39 -0.75 4.18 3.81 1nr6A1 ILE 324 HB 0.02 0.15 0.16 -0.04 1.89 2.18 1nr6A1 ILE 324 HG12 -0.01 -0.11 0.01 -0.04 1.49 1.34 1nr6A1 ILE 324 HG13 0.04 0.18 0.04 -0.04 1.21 1.43 1nr6A1 ILE 324 HG23 -0.01 0.01 -0.14 -0.04 0.93 0.75 1nr6A1 ILE 324 HD13 0.00 0.02 -0.13 -0.04 0.88 0.73 1nr6A1 GLU 325 H 0.01 0.60 -0.12 -0.55 8.60 8.54 1nr6A1 GLU 325 HA -0.00 0.02 0.43 -0.75 4.29 3.98 1nr6A1 GLU 325 HB2 -0.00 0.11 0.11 -0.04 2.09 2.26 1nr6A1 GLU 325 HB3 0.00 0.06 0.13 -0.04 1.99 2.14 1nr6A1 GLU 325 HG2 0.00 -0.02 -0.13 -0.04 2.34 2.16 1nr6A1 GLU 325 HG3 -0.01 -0.08 0.01 -0.04 2.34 2.22 1nr6A1 ARG 326 H 0.02 0.45 -0.14 -0.55 8.46 8.23 1nr6A1 ARG 326 HA 0.02 0.03 0.45 -0.75 4.34 4.08 1nr6A1 ARG 326 HB2 0.01 -0.06 0.11 -0.04 1.90 1.93 1nr6A1 ARG 326 HB3 0.02 0.11 0.22 -0.04 1.80 2.11 1nr6A1 ARG 326 HG2 0.02 0.04 -0.17 -0.04 1.67 1.52 1nr6A1 ARG 326 HG3 0.02 -0.04 0.01 -0.04 1.67 1.62 1nr6A1 ARG 326 HD2 0.01 -0.04 0.00 -0.04 3.22 3.16 1nr6A1 ARG 326 HD3 0.01 -0.04 0.02 -0.04 3.22 3.17 1nr6A1 VAL 327 H 0.04 0.50 -0.09 -0.55 8.24 8.13 1nr6A1 VAL 327 HA 0.03 0.10 0.69 -0.75 4.13 4.21 1nr6A1 VAL 327 HB 0.06 0.10 0.13 -0.04 2.12 2.37 1nr6A1 VAL 327 HG13 0.06 -0.02 -0.16 -0.04 0.97 0.81 1nr6A1 VAL 327 HG23 0.05 0.01 0.04 -0.04 0.95 1.00 1nr6A1 ILE 328 H 0.04 0.45 0.13 -0.55 8.25 8.31 1nr6A1 ILE 328 HA 0.04 0.05 0.80 -0.75 4.18 4.32 1nr6A1 ILE 328 HB 0.02 0.24 0.14 -0.04 1.89 2.25 1nr6A1 ILE 328 HG12 0.08 -0.11 -0.04 -0.04 1.49 1.38 1nr6A1 ILE 328 HG13 0.07 -0.05 -0.03 -0.04 1.21 1.16 1nr6A1 ILE 328 HG23 0.02 -0.03 -0.24 -0.04 0.93 0.64 1nr6A1 ILE 328 HD13 0.04 -0.03 -0.01 -0.04 0.88 0.84 1nr6A1 GLY 329 H 0.01 0.45 0.24 -0.55 8.43 8.59 1nr6A1 GLY 329 HA2 0.00 0.23 0.43 -0.51 4.01 4.16 1nr6A1 GLY 329 HA3 0.02 -0.00 0.52 -0.51 4.01 4.04 1nr6A1 ARG 330 H -0.09 0.06 0.19 -0.55 8.46 8.06 1nr6A1 ARG 330 HA -0.14 0.29 0.79 -0.75 4.34 4.53 1nr6A1 ARG 330 HB2 -0.67 -0.05 0.06 -0.04 1.90 1.20 1nr6A1 ARG 330 HB3 -0.31 0.05 0.10 -0.04 1.80 1.60 1nr6A1 ARG 330 HG2 -0.10 0.10 -0.04 -0.04 1.67 1.59 1nr6A1 ARG 330 HG3 -0.09 -0.06 0.01 -0.04 1.67 1.48 1nr6A1 ARG 330 HD2 -0.07 -0.03 0.01 -0.04 3.22 3.08 1nr6A1 ARG 330 HD3 -0.09 0.02 -0.01 -0.04 3.22 3.09 1nr6A1 HIS 331 H -0.04 0.05 0.01 -0.55 8.41 7.88 1nr6A1 HIS 331 HA 0.00 0.29 0.91 -0.75 4.63 5.08 1nr6A1 HIS 331 HB2 0.01 0.01 0.10 -0.04 3.26 3.34 1nr6A1 HIS 331 HB3 0.00 -0.01 0.18 -0.04 3.20 3.33 1nr6A1 HIS 331 HD2 0.01 0.01 0.04 -0.04 6.97 6.98 1nr6A1 HIS 331 HE1 0.00 0.01 -0.04 -0.04 7.75 7.68 1nr6A1 ARG 332 H 0.01 0.36 -0.32 -0.55 8.46 7.96 1nr6A1 ARG 332 HA 0.04 0.02 0.45 -0.75 4.34 4.09 1nr6A1 ARG 332 HB2 0.04 -0.07 0.08 -0.04 1.90 1.90 1nr6A1 ARG 332 HB3 0.05 0.06 -0.18 -0.04 1.80 1.69 1nr6A1 ARG 332 HG2 0.05 0.06 -0.13 -0.04 1.67 1.60 1nr6A1 ARG 332 HG3 0.03 0.06 -0.31 -0.04 1.67 1.41 1nr6A1 ARG 332 HD2 0.04 0.01 -0.08 -0.04 3.22 3.14 1nr6A1 ARG 332 HD3 0.04 -0.08 -0.05 -0.04 3.22 3.09 1nr6A1 SER 333 H 0.02 0.04 0.08 -0.55 8.46 8.06 1nr6A1 SER 333 HA 0.01 0.14 0.42 -0.75 4.49 4.31 1nr6A1 SER 333 HB2 0.02 -0.08 0.08 -0.04 3.95 3.93 1nr6A1 SER 333 HB3 0.02 0.09 0.06 -0.04 3.93 4.06 1nr6A1 PRO 334 HA 0.05 0.08 0.47 -0.51 4.44 4.54 1nr6A1 PRO 334 HB2 -0.04 -0.05 -0.03 -0.04 2.28 2.12 1nr6A1 PRO 334 HB3 -0.04 0.01 0.03 -0.04 2.02 1.97 1nr6A1 PRO 334 HG2 -0.06 -0.02 -0.18 -0.04 2.03 1.73 1nr6A1 PRO 334 HG3 -0.03 0.15 -0.05 -0.04 2.03 2.07 1nr6A1 PRO 334 HD2 0.00 0.05 0.18 -0.04 3.68 3.87 1nr6A1 PRO 334 HD3 0.00 0.22 0.18 -0.04 3.65 4.00 1nr6A1 CYS 335 H 0.14 0.21 0.19 -0.55 8.50 8.49 1nr6A1 CYS 335 HA 0.07 0.20 0.69 -0.75 4.58 4.78 1nr6A1 CYS 335 HB2 0.04 -0.08 0.11 -0.04 2.97 3.00 1nr6A1 CYS 335 HB3 0.05 0.22 -0.16 -0.04 2.97 3.03 1nr6A1 MET 336 H 0.03 0.18 0.11 -0.55 8.47 8.25 1nr6A1 MET 336 HA -0.06 0.12 0.38 -0.75 4.52 4.20 1nr6A1 MET 336 HB2 -0.02 -0.01 0.09 -0.04 2.15 2.17 1nr6A1 MET 336 HB3 -0.08 0.05 0.03 -0.04 2.03 1.98 1nr6A1 MET 336 HG2 -0.02 -0.02 0.06 -0.04 2.63 2.62 1nr6A1 MET 336 HG3 -0.05 0.01 0.03 -0.04 2.56 2.51 1nr6A1 MET 336 HE3 -0.22 0.01 0.00 -0.04 2.10 1.85 1nr6A1 GLN 337 H 0.00 0.08 -0.29 -0.55 8.47 7.73 1nr6A1 GLN 337 HA -0.04 0.07 0.42 -0.75 4.36 4.05 1nr6A1 GLN 337 HB2 0.02 -0.01 0.02 -0.04 2.15 2.13 1nr6A1 GLN 337 HB3 0.00 0.09 -0.02 -0.04 2.02 2.05 1nr6A1 GLN 337 HG2 0.00 -0.08 0.01 -0.04 2.40 2.29 1nr6A1 GLN 337 HG3 0.01 0.05 0.01 -0.04 2.39 2.42 1nr6A1 GLN 337 HE21 -0.00 0.02 -0.00 -0.04 6.97 6.94 1nr6A1 GLN 337 HE22 0.01 -0.02 -0.01 -0.04 7.69 7.63 1nr6A1 ASP 338 H 0.04 0.38 -0.36 -0.55 8.40 7.91 1nr6A1 ASP 338 HA 0.04 0.11 0.34 -0.75 4.63 4.36 1nr6A1 ASP 338 HB2 0.31 0.14 0.10 -0.04 2.71 3.21 1nr6A1 ASP 338 HB3 0.21 0.03 -0.03 -0.04 2.70 2.87 1nr6A1 ARG 339 H -0.34 0.32 -0.32 -0.55 8.46 7.57 1nr6A1 ARG 339 HA -0.47 0.05 0.27 -0.75 4.34 3.44 1nr6A1 ARG 339 HB2 -1.46 -0.03 0.08 -0.04 1.90 0.45 1nr6A1 ARG 339 HB3 -0.48 0.07 0.09 -0.04 1.80 1.44 1nr6A1 ARG 339 HG2 -0.38 0.01 -0.22 -0.04 1.67 1.03 1nr6A1 ARG 339 HG3 -0.55 -0.02 -0.00 -0.04 1.67 1.06 1nr6A1 ARG 339 HD2 -0.27 0.00 -0.04 -0.04 3.22 2.87 1nr6A1 ARG 339 HD3 -0.58 -0.01 -0.03 -0.04 3.22 2.56 1nr6A1 SER 340 H -0.16 0.23 -0.17 -0.55 8.46 7.81 1nr6A1 SER 340 HA -0.13 0.04 0.37 -0.75 4.49 4.01 1nr6A1 SER 340 HB2 -0.05 -0.01 0.06 -0.04 3.95 3.91 1nr6A1 SER 340 HB3 -0.09 -0.04 0.09 -0.04 3.93 3.84 1nr6A1 ARG 341 H -0.04 0.25 -0.47 -0.55 8.46 7.66 1nr6A1 ARG 341 HA 0.01 0.10 0.71 -0.75 4.34 4.41 1nr6A1 ARG 341 HB2 0.02 0.08 0.10 -0.04 1.90 2.05 1nr6A1 ARG 341 HB3 0.03 -0.01 0.16 -0.04 1.80 1.94 1nr6A1 ARG 341 HG2 0.01 -0.01 0.04 -0.04 1.67 1.67 1nr6A1 ARG 341 HG3 -0.00 -0.07 -0.09 -0.04 1.67 1.47 1nr6A1 ARG 341 HD2 0.02 0.06 0.02 -0.04 3.22 3.28 1nr6A1 ARG 341 HD3 0.01 -0.04 0.00 -0.04 3.22 3.15 1nr6A1 MET 342 H -0.01 0.45 -0.47 -0.55 8.47 7.90 1nr6A1 MET 342 HA 0.09 0.18 0.93 -0.75 4.52 4.97 1nr6A1 MET 342 HB2 0.18 0.01 0.12 -0.04 2.15 2.42 1nr6A1 MET 342 HB3 0.18 -0.20 0.13 -0.04 2.03 2.10 1nr6A1 MET 342 HG2 0.11 0.06 -0.12 -0.04 2.63 2.65 1nr6A1 MET 342 HG3 0.11 0.15 -0.37 -0.04 2.56 2.41 1nr6A1 MET 342 HE3 0.12 -0.02 -0.13 -0.04 2.10 2.03 1nr6A1 PRO 343 HA 0.10 0.05 0.45 -0.51 4.44 4.53 1nr6A1 PRO 343 HB2 0.16 0.14 -0.03 -0.04 2.28 2.50 1nr6A1 PRO 343 HB3 0.14 -0.13 0.20 -0.04 2.02 2.19 1nr6A1 PRO 343 HG2 0.12 -0.02 0.13 -0.04 2.03 2.22 1nr6A1 PRO 343 HG3 0.08 0.08 0.12 -0.04 2.03 2.27 1nr6A1 PRO 343 HD2 0.07 0.29 -0.07 -0.04 3.68 3.93 1nr6A1 PRO 343 HD3 0.05 0.20 -0.12 -0.04 3.65 3.75 1nr6A1 TYR 344 H 0.23 0.18 -0.17 -0.55 8.29 7.97 1nr6A1 TYR 344 HA 0.09 0.14 0.45 -0.75 4.56 4.47 1nr6A1 TYR 344 HB2 0.05 0.07 0.06 -0.04 3.06 3.20 1nr6A1 TYR 344 HB3 0.06 -0.00 0.04 -0.04 2.98 3.03 1nr6A1 TYR 344 HD2 0.04 0.02 -0.21 -0.04 7.15 6.96 1nr6A1 TYR 344 HE2 0.02 0.07 -0.05 -0.04 6.85 6.85 1nr6A1 THR 345 H 0.21 0.16 -0.13 -0.55 8.28 7.97 1nr6A1 THR 345 HA 0.08 0.05 0.38 -0.75 4.39 4.14 1nr6A1 THR 345 HB 0.25 0.12 0.10 -0.04 4.32 4.75 1nr6A1 THR 345 HG23 0.10 -0.00 -0.07 -0.04 1.22 1.22 1nr6A1 ASP 346 H 0.09 0.52 -0.18 -0.55 8.40 8.28 1nr6A1 ASP 346 HA 0.06 -0.02 0.38 -0.75 4.63 4.30 1nr6A1 ASP 346 HB2 -0.13 0.20 0.09 -0.04 2.71 2.82 1nr6A1 ASP 346 HB3 -0.24 0.09 0.04 -0.04 2.70 2.54 1nr6A1 ALA 347 H 0.13 0.56 -0.19 -0.55 8.40 8.35 1nr6A1 ALA 347 HA 0.20 0.02 0.46 -0.75 4.34 4.26 1nr6A1 ALA 347 HB3 0.02 0.09 0.07 -0.04 1.41 1.55 1nr6A1 VAL 348 H -0.13 0.47 -0.27 -0.55 8.24 7.76 1nr6A1 VAL 348 HA -0.14 -0.01 0.44 -0.75 4.13 3.67 1nr6A1 VAL 348 HB -0.04 0.13 0.18 -0.04 2.12 2.34 1nr6A1 VAL 348 HG13 0.14 -0.01 -0.16 -0.04 0.97 0.89 1nr6A1 VAL 348 HG23 -0.41 0.04 -0.01 -0.04 0.95 0.53 1nr6A1 ILE 349 H 0.04 0.61 -0.03 -0.55 8.25 8.31 1nr6A1 ILE 349 HA 0.06 0.01 0.35 -0.75 4.18 3.85 1nr6A1 ILE 349 HB 0.04 0.08 0.13 -0.04 1.89 2.11 1nr6A1 ILE 349 HG12 0.08 -0.03 -0.05 -0.04 1.49 1.45 1nr6A1 ILE 349 HG13 0.09 0.23 0.06 -0.04 1.21 1.55 1nr6A1 ILE 349 HG23 0.02 -0.02 -0.11 -0.04 0.93 0.78 1nr6A1 ILE 349 HD13 0.19 -0.03 -0.15 -0.04 0.88 0.85 1nr6A1 HIS 350 H 0.00 0.61 -0.17 -0.55 8.41 8.31 1nr6A1 HIS 350 HA -0.29 -0.04 0.37 -0.75 4.63 3.92 1nr6A1 HIS 350 HB2 -0.75 0.14 0.16 -0.04 3.26 2.77 1nr6A1 HIS 350 HB3 -2.29 -0.01 -0.06 -0.04 3.20 0.79 1nr6A1 HIS 350 HD2 -2.32 -0.02 0.01 -0.04 6.97 4.59 1nr6A1 HIS 350 HE1 -0.41 -0.06 -0.04 -0.04 7.75 7.19 1nr6A1 GLU 351 H -0.08 0.58 -0.24 -0.55 8.60 8.31 1nr6A1 GLU 351 HA 0.26 0.04 0.43 -0.75 4.29 4.27 1nr6A1 GLU 351 HB2 0.06 0.09 0.07 -0.04 2.09 2.26 1nr6A1 GLU 351 HB3 -0.20 0.06 0.10 -0.04 1.99 1.91 1nr6A1 GLU 351 HG2 -0.85 -0.19 -0.47 -0.04 2.34 0.79 1nr6A1 GLU 351 HG3 -0.52 0.00 -0.20 -0.04 2.34 1.58 1nr6A1 ILE 352 H 0.15 0.55 -0.22 -0.55 8.25 8.18 1nr6A1 ILE 352 HA 0.34 0.03 0.37 -0.75 4.18 4.17 1nr6A1 ILE 352 HB 0.12 0.11 0.16 -0.04 1.89 2.24 1nr6A1 ILE 352 HG12 0.13 -0.03 -0.01 -0.04 1.49 1.54 1nr6A1 ILE 352 HG13 0.31 0.20 0.02 -0.04 1.21 1.70 1nr6A1 ILE 352 HG23 0.07 -0.02 -0.16 -0.04 0.93 0.78 1nr6A1 ILE 352 HD13 0.11 -0.04 -0.07 -0.04 0.88 0.84 1nr6A1 GLN 353 H 0.11 0.49 -0.11 -0.55 8.47 8.42 1nr6A1 GLN 353 HA 0.00 -0.01 0.30 -0.75 4.36 3.90 1nr6A1 GLN 353 HB2 0.23 0.13 0.10 -0.04 2.15 2.57 1nr6A1 GLN 353 HB3 -0.12 -0.10 -0.01 -0.04 2.02 1.75 1nr6A1 GLN 353 HG2 -0.00 -0.05 -0.01 -0.04 2.40 2.29 1nr6A1 GLN 353 HG3 0.06 0.27 0.07 -0.04 2.39 2.74 1nr6A1 GLN 353 HE21 -0.58 -0.05 -0.11 -0.04 6.97 6.20 1nr6A1 GLN 353 HE22 -0.30 -0.00 -0.06 -0.04 7.69 7.29 1nr6A1 ARG 354 H 0.20 0.48 -0.24 -0.55 8.46 8.35 1nr6A1 ARG 354 HA 0.04 -0.06 0.50 -0.75 4.34 4.07 1nr6A1 ARG 354 HB2 0.36 -0.05 0.09 -0.04 1.90 2.26 1nr6A1 ARG 354 HB3 0.19 0.06 0.11 -0.04 1.80 2.12 1nr6A1 ARG 354 HG2 -0.04 0.06 -0.14 -0.04 1.67 1.51 1nr6A1 ARG 354 HG3 -0.19 -0.14 0.09 -0.04 1.67 1.38 1nr6A1 ARG 354 HD2 -1.82 0.11 0.02 -0.04 3.22 1.50 1nr6A1 ARG 354 HD3 -0.91 -0.11 -0.05 -0.04 3.22 2.11 1nr6A1 PHE 355 H 0.29 0.55 -0.13 -0.55 8.34 8.50 1nr6A1 PHE 355 HA 0.03 0.12 0.40 -0.75 4.62 4.41 1nr6A1 PHE 355 HB2 0.17 -0.01 0.07 -0.04 3.15 3.34 1nr6A1 PHE 355 HB3 0.16 0.02 0.16 -0.04 3.06 3.36 1nr6A1 PHE 355 HD2 -0.05 0.06 -0.29 -0.04 7.28 6.96 1nr6A1 PHE 355 HE2 0.01 0.13 -0.18 -0.04 7.38 7.30 1nr6A1 PHE 355 HZ 0.06 -0.04 -0.04 -0.04 7.32 7.26 1nr6A1 ILE 356 H 0.09 0.65 -0.05 -0.55 8.25 8.40 1nr6A1 ILE 356 HA -0.34 0.08 0.35 -0.75 4.18 3.51 1nr6A1 ILE 356 HB -0.54 -0.01 -0.04 -0.04 1.89 1.26 1nr6A1 ILE 356 HG12 -0.05 0.26 0.05 -0.04 1.49 1.70 1nr6A1 ILE 356 HG13 -0.09 -0.17 -0.27 -0.04 1.21 0.64 1nr6A1 ILE 356 HG23 -0.56 0.03 -0.01 -0.04 0.93 0.36 1nr6A1 ILE 356 HD13 0.00 -0.02 -0.09 -0.04 0.88 0.73 1nr6A1 ASP 357 H -0.04 0.32 -0.46 -0.55 8.40 7.67 1nr6A1 ASP 357 HA -0.12 -0.03 0.24 -0.75 4.63 3.97 1nr6A1 ASP 357 HB2 -0.24 0.21 -0.14 -0.04 2.71 2.49 1nr6A1 ASP 357 HB3 -0.14 0.15 -0.43 -0.04 2.70 2.24 1nr6A1 LEU 358 H -0.09 0.13 -0.08 -0.55 8.37 7.78 1nr6A1 LEU 358 HA 0.00 0.13 0.34 -0.75 4.35 4.07 1nr6A1 LEU 358 HB2 -0.06 0.02 0.07 -0.04 1.64 1.63 1nr6A1 LEU 358 HB3 -0.08 -0.03 0.05 -0.04 1.64 1.53 1nr6A1 LEU 358 HG 0.01 -0.05 -0.14 -0.04 1.64 1.42 1nr6A1 LEU 358 HD13 0.07 0.03 -0.01 -0.04 0.93 0.98 1nr6A1 LEU 358 HD23 -0.03 -0.03 -0.01 -0.04 0.89 0.79 1nr6A1 LEU 359 H -0.08 0.09 -0.22 -0.55 8.37 7.62 1nr6A1 LEU 359 HA 0.01 0.42 0.91 -0.75 4.35 4.93 1nr6A1 LEU 359 HB2 -0.04 -0.03 0.16 -0.04 1.64 1.69 1nr6A1 LEU 359 HB3 0.02 0.08 0.07 -0.04 1.64 1.78 1nr6A1 LEU 359 HG 0.01 -0.04 -0.44 -0.04 1.64 1.13 1nr6A1 LEU 359 HD13 -0.03 -0.00 -0.05 -0.04 0.93 0.81 1nr6A1 LEU 359 HD23 0.08 0.05 -0.12 -0.04 0.89 0.86 1nr6A1 PRO 360 HA -0.12 -0.01 0.38 -0.51 4.44 4.18 1nr6A1 PRO 360 HB2 -0.10 -0.04 0.04 -0.04 2.28 2.14 1nr6A1 PRO 360 HB3 -0.10 -0.07 0.09 -0.04 2.02 1.89 1nr6A1 PRO 360 HG2 -0.07 -0.03 0.03 -0.04 2.03 1.92 1nr6A1 PRO 360 HG3 -0.08 0.28 0.10 -0.04 2.03 2.29 1nr6A1 PRO 360 HD2 -0.04 0.20 0.18 -0.04 3.68 3.98 1nr6A1 PRO 360 HD3 -0.03 0.38 -0.14 -0.04 3.65 3.82 1nr6A1 THR 361 H -0.05 0.25 -0.24 -0.55 8.28 7.69 1nr6A1 THR 361 HA -0.06 0.15 1.18 -0.75 4.39 4.91 1nr6A1 THR 361 HB -0.06 0.01 0.10 -0.04 4.32 4.33 1nr6A1 THR 361 HG23 -0.10 -0.05 -0.19 -0.04 1.22 0.84 1nr6A1 ASN 362 H -0.03 0.44 -0.19 -0.55 8.53 8.21 1nr6A1 ASN 362 HA 0.00 -0.00 0.31 -0.75 4.76 4.32 1nr6A1 ASN 362 HB2 -0.04 -0.04 -0.32 -0.04 2.88 2.44 1nr6A1 ASN 362 HB3 0.03 0.26 0.10 -0.04 2.79 3.15 1nr6A1 ASN 362 HD21 -0.03 -0.07 0.03 -0.04 7.03 6.92 1nr6A1 ASN 362 HD22 -0.11 -0.05 -0.02 -0.04 7.74 7.52 1nr6A1 LEU 363 H 0.09 0.14 0.22 -0.55 8.37 8.28 1nr6A1 LEU 363 HA 0.12 0.16 0.79 -0.75 4.35 4.67 1nr6A1 LEU 363 HB2 0.02 -0.12 0.08 -0.04 1.64 1.58 1nr6A1 LEU 363 HB3 0.01 0.10 0.02 -0.04 1.64 1.73 1nr6A1 LEU 363 HG 0.03 0.08 0.07 -0.04 1.64 1.79 1nr6A1 LEU 363 HD13 -0.16 0.00 0.04 -0.04 0.93 0.77 1nr6A1 LEU 363 HD23 -0.10 -0.02 0.01 -0.04 0.89 0.75 1nr6A1 PRO 364 HA 0.10 0.09 0.62 -0.51 4.44 4.73 1nr6A1 PRO 364 HB2 0.08 -0.01 -0.09 -0.04 2.28 2.22 1nr6A1 PRO 364 HB3 0.07 -0.02 0.07 -0.04 2.02 2.10 1nr6A1 PRO 364 HG2 0.20 0.08 0.08 -0.04 2.03 2.35 1nr6A1 PRO 364 HG3 0.13 0.07 0.10 -0.04 2.03 2.30 1nr6A1 PRO 364 HD2 0.18 0.05 0.17 -0.04 3.68 4.04 1nr6A1 PRO 364 HD3 0.27 0.17 0.22 -0.04 3.65 4.27 1nr6A1 HIS 365 H 0.16 0.58 0.47 -0.55 8.41 9.07 1nr6A1 HIS 365 HA -0.06 0.30 1.06 -0.75 4.63 5.18 1nr6A1 HIS 365 HB2 -0.01 -0.07 0.12 -0.04 3.26 3.26 1nr6A1 HIS 365 HB3 0.00 0.03 0.16 -0.04 3.20 3.34 1nr6A1 HIS 365 HD2 -0.03 0.37 -0.01 -0.04 6.97 7.27 1nr6A1 HIS 365 HE1 -0.02 -0.16 -0.01 -0.04 7.75 7.51 1nr6A1 ALA 366 H -0.01 0.62 0.13 -0.55 8.40 8.59 1nr6A1 ALA 366 HA -0.06 0.24 0.53 -0.75 4.34 4.29 1nr6A1 ALA 366 HB3 -0.08 -0.03 -0.38 -0.04 1.41 0.88 1nr6A1 VAL 367 H -0.19 0.45 0.07 -0.55 8.24 8.03 1nr6A1 VAL 367 HA -0.33 0.36 0.86 -0.75 4.13 4.26 1nr6A1 VAL 367 HB -0.40 0.06 0.11 -0.04 2.12 1.85 1nr6A1 VAL 367 HG13 -0.81 0.01 -0.10 -0.04 0.97 0.02 1nr6A1 VAL 367 HG23 -0.24 -0.05 -0.10 -0.04 0.95 0.52 1nr6A1 THR 368 H -0.17 0.71 0.40 -0.55 8.28 8.67 1nr6A1 THR 368 HA -0.09 0.09 0.66 -0.75 4.39 4.29 1nr6A1 THR 368 HB -0.03 -0.10 0.13 -0.04 4.32 4.29 1nr6A1 THR 368 HG23 -0.08 -0.01 -0.01 -0.04 1.22 1.07 1nr6A1 ARG 369 H -0.15 0.32 -0.09 -0.55 8.46 7.98 1nr6A1 ARG 369 HA -0.06 0.03 0.45 -0.75 4.34 4.01 1nr6A1 ARG 369 HB2 -0.02 -0.04 0.14 -0.04 1.90 1.94 1nr6A1 ARG 369 HB3 -0.03 0.12 -0.11 -0.04 1.80 1.74 1nr6A1 ARG 369 HG2 -0.05 -0.10 -0.15 -0.04 1.67 1.32 1nr6A1 ARG 369 HG3 -0.06 0.21 -0.29 -0.04 1.67 1.49 1nr6A1 ARG 369 HD2 0.00 0.02 -0.02 -0.04 3.22 3.18 1nr6A1 ARG 369 HD3 0.00 -0.03 -0.07 -0.04 3.22 3.08 1nr6A1 ASP 370 H -0.04 0.08 0.15 -0.55 8.40 8.05 1nr6A1 ASP 370 HA -0.25 0.12 0.56 -0.75 4.63 4.30 1nr6A1 ASP 370 HB2 0.07 -0.01 0.11 -0.04 2.71 2.84 1nr6A1 ASP 370 HB3 0.04 0.09 -0.01 -0.04 2.70 2.78 1nr6A1 VAL 371 H -0.42 0.78 0.35 -0.55 8.24 8.40 1nr6A1 VAL 371 HA -0.03 0.09 0.77 -0.75 4.13 4.20 1nr6A1 VAL 371 HB -0.14 0.04 -0.16 -0.04 2.12 1.82 1nr6A1 VAL 371 HG13 -0.33 0.01 0.00 -0.04 0.97 0.61 1nr6A1 VAL 371 HG23 0.09 -0.02 -0.19 -0.04 0.95 0.79 1nr6A1 ARG 372 H 0.09 0.17 0.06 -0.55 8.46 8.22 1nr6A1 ARG 372 HA 0.18 0.27 1.00 -0.75 4.34 5.03 1nr6A1 ARG 372 HB2 0.25 -0.06 0.01 -0.04 1.90 2.06 1nr6A1 ARG 372 HB3 0.12 -0.10 0.19 -0.04 1.80 1.97 1nr6A1 ARG 372 HG2 0.09 0.09 -0.13 -0.04 1.67 1.68 1nr6A1 ARG 372 HG3 0.18 0.24 -0.15 -0.04 1.67 1.90 1nr6A1 ARG 372 HD2 0.10 0.04 -0.08 -0.04 3.22 3.24 1nr6A1 ARG 372 HD3 0.09 -0.12 -0.02 -0.04 3.22 3.13 1nr6A1 PHE 373 H 0.27 0.29 -0.06 -0.55 8.34 8.29 1nr6A1 PHE 373 HA 0.12 0.03 0.73 -0.75 4.62 4.74 1nr6A1 PHE 373 HB2 0.20 -0.02 -0.08 -0.04 3.15 3.22 1nr6A1 PHE 373 HB3 0.16 0.03 0.02 -0.04 3.06 3.23 1nr6A1 PHE 373 HD2 0.17 0.02 -0.11 -0.04 7.28 7.32 1nr6A1 PHE 373 HE2 -0.05 -0.02 -0.19 -0.04 7.38 7.08 1nr6A1 PHE 373 HZ -0.10 0.00 -0.02 -0.04 7.32 7.16 1nr6A1 ARG 374 H -0.24 0.13 0.09 -0.55 8.46 7.89 1nr6A1 ARG 374 HA -0.19 0.00 0.30 -0.75 4.34 3.70 1nr6A1 ARG 374 HB2 -0.08 0.23 -0.00 -0.04 1.90 2.01 1nr6A1 ARG 374 HB3 -0.16 -0.09 0.21 -0.04 1.80 1.72 1nr6A1 ARG 374 HG2 -0.35 -0.00 0.01 -0.04 1.67 1.28 1nr6A1 ARG 374 HG3 -1.16 -0.04 -0.18 -0.04 1.67 0.24 1nr6A1 ARG 374 HD2 -0.07 0.06 -0.08 -0.04 3.22 3.08 1nr6A1 ARG 374 HD3 -0.08 0.00 -0.01 -0.04 3.22 3.09 1nr6A1 ASN 375 H -0.27 0.09 0.15 -0.55 8.53 7.96 1nr6A1 ASN 375 HA -0.12 0.16 0.63 -0.75 4.76 4.67 1nr6A1 ASN 375 HB2 -0.22 0.03 0.18 -0.04 2.88 2.83 1nr6A1 ASN 375 HB3 -0.17 -0.07 0.07 -0.04 2.79 2.57 1nr6A1 ASN 375 HD21 -0.62 -0.00 -0.01 -0.04 7.03 6.35 1nr6A1 ASN 375 HD22 -0.48 0.04 -0.01 -0.04 7.74 7.24 1nr6A1 TYR 376 H 0.06 0.40 -0.48 -0.55 8.29 7.71 1nr6A1 TYR 376 HA 0.12 0.35 0.95 -0.75 4.56 5.22 1nr6A1 TYR 376 HB2 0.17 -0.03 -0.05 -0.04 3.06 3.11 1nr6A1 TYR 376 HB3 0.12 0.08 -0.00 -0.04 2.98 3.14 1nr6A1 TYR 376 HD2 0.12 0.13 -0.11 -0.04 7.15 7.24 1nr6A1 TYR 376 HE2 0.09 -0.05 0.01 -0.04 6.85 6.86 1nr6A1 PHE 377 H 0.35 0.83 0.14 -0.55 8.34 9.11 1nr6A1 PHE 377 HA 0.10 0.09 1.00 -0.75 4.62 5.06 1nr6A1 PHE 377 HB2 0.06 0.20 -0.15 -0.04 3.15 3.22 1nr6A1 PHE 377 HB3 0.07 -0.13 -0.36 -0.04 3.06 2.59 1nr6A1 PHE 377 HD2 0.04 -0.01 -0.23 -0.04 7.28 7.03 1nr6A1 PHE 377 HE2 0.01 -0.05 -0.17 -0.04 7.38 7.13 1nr6A1 PHE 377 HZ 0.01 -0.08 -0.09 -0.04 7.32 7.11 1nr6A1 ILE 378 H -0.46 0.86 0.30 -0.55 8.25 8.41 1nr6A1 ILE 378 HA -0.20 0.20 0.92 -0.75 4.18 4.36 1nr6A1 ILE 378 HB -0.23 -0.04 0.15 -0.04 1.89 1.73 1nr6A1 ILE 378 HG12 -0.05 0.06 -0.17 -0.04 1.49 1.30 1nr6A1 ILE 378 HG13 0.05 -0.06 -0.38 -0.04 1.21 0.78 1nr6A1 ILE 378 HG23 -0.20 0.01 -0.11 -0.04 0.93 0.59 1nr6A1 ILE 378 HD13 0.01 -0.01 -0.12 -0.04 0.88 0.72 1nr6A1 PRO 379 HA -0.30 -0.06 0.55 -0.51 4.44 4.12 1nr6A1 PRO 379 HB2 -0.02 0.11 -0.03 -0.04 2.28 2.30 1nr6A1 PRO 379 HB3 0.09 -0.01 0.06 -0.04 2.02 2.12 1nr6A1 PRO 379 HG2 -0.07 0.04 0.05 -0.04 2.03 2.01 1nr6A1 PRO 379 HG3 0.03 0.03 0.04 -0.04 2.03 2.09 1nr6A1 PRO 379 HD2 -0.11 0.13 0.25 -0.04 3.68 3.91 1nr6A1 PRO 379 HD3 -0.03 0.16 -0.02 -0.04 3.65 3.72 1nr6A1 LYS 380 H -0.09 -0.00 0.06 -0.55 8.42 7.84 1nr6A1 LYS 380 HA -0.14 0.09 -0.03 -0.75 4.32 3.49 1nr6A1 LYS 380 HB2 -0.06 -0.21 -0.00 -0.04 1.87 1.56 1nr6A1 LYS 380 HB3 -0.04 -0.01 0.03 -0.04 1.79 1.73 1nr6A1 LYS 380 HG2 -0.05 0.07 -0.31 -0.04 1.46 1.13 1nr6A1 LYS 380 HG3 -0.07 0.04 -0.49 -0.04 1.46 0.90 1nr6A1 LYS 380 HD2 -0.02 -0.03 0.02 -0.04 1.69 1.62 1nr6A1 LYS 380 HD3 -0.02 -0.05 -0.04 -0.04 1.68 1.53 1nr6A1 LYS 380 HE2 -0.02 -0.01 -0.07 -0.04 2.99 2.84 1nr6A1 LYS 380 HE3 -0.03 0.15 -0.00 -0.04 2.99 3.07 1nr6A1 GLY 381 H -0.11 0.61 0.12 -0.55 8.43 8.50 1nr6A1 GLY 381 HA2 -0.08 0.04 0.29 -0.51 4.01 3.75 1nr6A1 GLY 381 HA3 -0.06 0.03 0.39 -0.51 4.01 3.86 1nr6A1 THR 382 H -0.12 0.36 -0.35 -0.55 8.28 7.62 1nr6A1 THR 382 HA -0.08 0.04 0.45 -0.75 4.39 4.04 1nr6A1 THR 382 HB -0.15 -0.10 0.03 -0.04 4.32 4.06 1nr6A1 THR 382 HG23 -0.12 0.05 -0.06 -0.04 1.22 1.06 1nr6A1 ASP 383 H -0.08 0.19 0.31 -0.55 8.40 8.27 1nr6A1 ASP 383 HA -0.04 0.16 0.73 -0.75 4.63 4.73 1nr6A1 ASP 383 HB2 -0.05 0.03 0.22 -0.04 2.71 2.86 1nr6A1 ASP 383 HB3 -0.02 0.03 0.10 -0.04 2.70 2.77 1nr6A1 ILE 384 H 0.00 0.84 0.25 -0.55 8.25 8.79 1nr6A1 ILE 384 HA -0.07 0.33 1.01 -0.75 4.18 4.70 1nr6A1 ILE 384 HB 0.10 -0.09 -0.13 -0.04 1.89 1.72 1nr6A1 ILE 384 HG12 -0.06 0.08 -0.42 -0.04 1.49 1.05 1nr6A1 ILE 384 HG13 0.05 -0.05 -0.24 -0.04 1.21 0.92 1nr6A1 ILE 384 HG23 -0.01 -0.01 -0.23 -0.04 0.93 0.64 1nr6A1 ILE 384 HD13 -0.06 0.02 -0.17 -0.04 0.88 0.63 1nr6A1 ILE 385 H -0.10 0.71 0.29 -0.55 8.25 8.59 1nr6A1 ILE 385 HA -0.03 0.22 1.01 -0.75 4.18 4.63 1nr6A1 ILE 385 HB -0.09 -0.05 0.03 -0.04 1.89 1.75 1nr6A1 ILE 385 HG12 -0.01 0.12 -0.04 -0.04 1.49 1.53 1nr6A1 ILE 385 HG13 -0.03 -0.06 -0.32 -0.04 1.21 0.77 1nr6A1 ILE 385 HG23 -0.05 0.01 -0.21 -0.04 0.93 0.64 1nr6A1 ILE 385 HD13 -0.01 -0.02 -0.10 -0.04 0.88 0.71 1nr6A1 THR 386 H -0.08 0.32 0.08 -0.55 8.28 8.05 1nr6A1 THR 386 HA -0.14 0.19 0.99 -0.75 4.39 4.67 1nr6A1 THR 386 HB -0.16 -0.04 -0.09 -0.04 4.32 3.99 1nr6A1 THR 386 HG23 -0.28 0.01 -0.11 -0.04 1.22 0.80 1nr6A1 SER 387 H -0.10 0.66 0.25 -0.55 8.46 8.73 1nr6A1 SER 387 HA -0.07 0.23 0.88 -0.75 4.49 4.78 1nr6A1 SER 387 HB2 0.02 0.09 0.04 -0.04 3.95 4.06 1nr6A1 SER 387 HB3 -0.17 -0.03 0.30 -0.04 3.93 3.99 1nr6A1 LEU 388 H -0.09 0.52 0.23 -0.55 8.37 8.48 1nr6A1 LEU 388 HA -0.08 0.02 0.45 -0.75 4.35 3.98 1nr6A1 LEU 388 HB2 -0.10 0.18 0.10 -0.04 1.64 1.78 1nr6A1 LEU 388 HB3 -0.10 -0.02 0.03 -0.04 1.64 1.51 1nr6A1 LEU 388 HG -0.07 0.06 -0.05 -0.04 1.64 1.53 1nr6A1 LEU 388 HD13 -0.07 0.05 0.05 -0.04 0.93 0.93 1nr6A1 LEU 388 HD23 -0.07 0.00 -0.04 -0.04 0.89 0.74 1nr6A1 THR 389 H -0.14 0.38 -0.01 -0.55 8.28 7.96 1nr6A1 THR 389 HA -0.38 0.16 0.31 -0.75 4.39 3.72 1nr6A1 THR 389 HB -0.12 -0.06 -0.03 -0.04 4.32 4.07 1nr6A1 THR 389 HG23 -0.23 0.02 -0.09 -0.04 1.22 0.88 1nr6A1 SER 390 H -0.18 0.17 -0.42 -0.55 8.46 7.49 1nr6A1 SER 390 HA -0.08 0.14 0.33 -0.75 4.49 4.12 1nr6A1 SER 390 HB2 -0.46 -0.04 0.09 -0.04 3.95 3.49 1nr6A1 SER 390 HB3 -0.92 0.06 0.07 -0.04 3.93 3.09 1nr6A1 VAL 391 H -0.05 0.29 -0.37 -0.55 8.24 7.57 1nr6A1 VAL 391 HA 0.21 -0.06 0.67 -0.75 4.13 4.20 1nr6A1 VAL 391 HB 0.04 0.12 0.17 -0.04 2.12 2.42 1nr6A1 VAL 391 HG13 0.15 0.06 -0.03 -0.04 0.97 1.10 1nr6A1 VAL 391 HG23 -0.00 -0.01 -0.12 -0.04 0.95 0.78 1nr6A1 LEU 392 H 0.02 0.66 0.15 -0.55 8.37 8.65 1nr6A1 LEU 392 HA 0.24 0.09 0.44 -0.75 4.35 4.36 1nr6A1 LEU 392 HB2 -0.16 0.01 0.06 -0.04 1.64 1.51 1nr6A1 LEU 392 HB3 0.04 0.16 0.12 -0.04 1.64 1.92 1nr6A1 LEU 392 HG -0.06 0.02 0.03 -0.04 1.64 1.59 1nr6A1 LEU 392 HD13 -0.14 0.01 -0.03 -0.04 0.93 0.73 1nr6A1 LEU 392 HD23 -0.05 0.02 0.04 -0.04 0.89 0.87 1nr6A1 HIS 393 H 0.10 0.33 -0.40 -0.55 8.41 7.90 1nr6A1 HIS 393 HA 0.04 0.30 0.85 -0.75 4.63 5.07 1nr6A1 HIS 393 HB2 0.01 0.10 0.05 -0.04 3.26 3.38 1nr6A1 HIS 393 HB3 0.01 -0.13 0.07 -0.04 3.20 3.11 1nr6A1 HIS 393 HD2 -0.08 0.10 -0.70 -0.04 6.97 6.24 1nr6A1 HIS 393 HE1 -0.22 -0.02 -0.04 -0.04 7.75 7.43 1nr6A1 ASP 394 H 0.30 0.39 -0.43 -0.55 8.40 8.11 1nr6A1 ASP 394 HA 0.11 -0.00 0.51 -0.75 4.63 4.50 1nr6A1 ASP 394 HB2 0.28 0.17 0.28 -0.04 2.71 3.40 1nr6A1 ASP 394 HB3 -0.07 0.01 0.18 -0.04 2.70 2.78 1nr6A1 GLU 395 H 0.04 0.11 0.23 -0.55 8.60 8.44 1nr6A1 GLU 395 HA 0.01 0.34 0.34 -0.75 4.29 4.22 1nr6A1 GLU 395 HB2 0.00 -0.04 0.11 -0.04 2.09 2.13 1nr6A1 GLU 395 HB3 0.03 0.07 0.15 -0.04 1.99 2.20 1nr6A1 GLU 395 HG2 0.04 -0.05 0.17 -0.04 2.34 2.46 1nr6A1 GLU 395 HG3 0.01 -0.02 -0.02 -0.04 2.34 2.27 1nr6A1 LYS 396 H -0.10 -0.03 -0.26 -0.55 8.42 7.48 1nr6A1 LYS 396 HA -0.11 0.17 0.59 -0.75 4.32 4.22 1nr6A1 LYS 396 HB2 -0.07 -0.02 0.03 -0.04 1.87 1.78 1nr6A1 LYS 396 HB3 -0.15 -0.07 0.06 -0.04 1.79 1.58 1nr6A1 LYS 396 HG2 -0.17 0.04 -0.14 -0.04 1.46 1.15 1nr6A1 LYS 396 HG3 -0.09 0.03 0.03 -0.04 1.46 1.38 1nr6A1 LYS 396 HD2 -0.04 -0.00 -0.00 -0.04 1.69 1.60 1nr6A1 LYS 396 HD3 -0.05 -0.04 -0.02 -0.04 1.68 1.52 1nr6A1 LYS 396 HE2 -0.03 -0.02 -0.01 -0.04 2.99 2.89 1nr6A1 LYS 396 HE3 -0.08 0.01 -0.04 -0.04 2.99 2.84 1nr6A1 ALA 397 H -0.47 -0.03 -0.15 -0.55 8.40 7.20 1nr6A1 ALA 397 HA -0.72 0.05 0.42 -0.75 4.34 3.33 1nr6A1 ALA 397 HB3 -1.59 -0.01 0.07 -0.04 1.41 -0.16 1nr6A1 PHE 398 H -0.29 0.35 -0.42 -0.55 8.34 7.42 1nr6A1 PHE 398 HA -0.36 0.19 0.72 -0.75 4.62 4.41 1nr6A1 PHE 398 HB2 -0.34 0.01 0.02 -0.04 3.15 2.79 1nr6A1 PHE 398 HB3 -1.09 0.03 -0.04 -0.04 3.06 1.92 1nr6A1 PHE 398 HD2 -0.35 0.05 -0.08 -0.04 7.28 6.86 1nr6A1 PHE 398 HE2 -0.32 0.06 -0.08 -0.04 7.38 7.00 1nr6A1 PHE 398 HZ 0.20 -0.20 -0.33 -0.04 7.32 6.95 1nr6A1 PRO 399 HA 0.00 0.08 0.49 -0.51 4.44 4.50 1nr6A1 PRO 399 HB2 0.05 -0.01 0.05 -0.04 2.28 2.33 1nr6A1 PRO 399 HB3 0.00 -0.06 0.06 -0.04 2.02 1.99 1nr6A1 PRO 399 HG2 -0.04 -0.03 0.03 -0.04 2.03 1.95 1nr6A1 PRO 399 HG3 -0.06 0.08 0.05 -0.04 2.03 2.05 1nr6A1 PRO 399 HD2 0.03 0.09 0.05 -0.04 3.68 3.81 1nr6A1 PRO 399 HD3 -0.16 0.24 -0.40 -0.04 3.65 3.29 1nr6A1 ASN 400 H 0.04 0.06 0.24 -0.55 8.53 8.32 1nr6A1 ASN 400 HA 0.05 -0.07 0.36 -0.75 4.76 4.35 1nr6A1 ASN 400 HB2 0.10 0.31 0.25 -0.04 2.88 3.51 1nr6A1 ASN 400 HB3 0.07 -0.08 0.18 -0.04 2.79 2.91 1nr6A1 ASN 400 HD21 0.01 -0.05 -0.09 -0.04 7.03 6.86 1nr6A1 ASN 400 HD22 0.03 0.12 -0.19 -0.04 7.74 7.65 1nr6A1 PRO 401 HA -0.07 0.16 0.28 -0.51 4.44 4.30 1nr6A1 PRO 401 HB2 -0.02 -0.03 -0.05 -0.04 2.28 2.14 1nr6A1 PRO 401 HB3 0.05 0.16 -0.23 -0.04 2.02 1.96 1nr6A1 PRO 401 HG2 0.01 -0.06 -0.01 -0.04 2.03 1.93 1nr6A1 PRO 401 HG3 0.04 -0.00 -0.01 -0.04 2.03 2.02 1nr6A1 PRO 401 HD2 0.03 -0.06 0.23 -0.04 3.68 3.83 1nr6A1 PRO 401 HD3 0.03 0.14 0.26 -0.04 3.65 4.03 1nr6A1 LYS 402 H 0.02 -0.01 -0.38 -0.55 8.42 7.49 1nr6A1 LYS 402 HA -0.19 0.22 0.65 -0.75 4.32 4.24 1nr6A1 LYS 402 HB2 0.03 -0.05 -0.03 -0.04 1.87 1.78 1nr6A1 LYS 402 HB3 0.00 -0.01 0.11 -0.04 1.79 1.85 1nr6A1 LYS 402 HG2 -0.01 -0.04 -0.05 -0.04 1.46 1.31 1nr6A1 LYS 402 HG3 0.00 -0.04 -0.01 -0.04 1.46 1.36 1nr6A1 LYS 402 HD2 -0.10 0.01 -0.01 -0.04 1.69 1.55 1nr6A1 LYS 402 HD3 -0.30 0.14 -0.22 -0.04 1.68 1.27 1nr6A1 LYS 402 HE2 0.08 0.02 -0.06 -0.04 2.99 2.98 1nr6A1 LYS 402 HE3 0.05 -0.06 -0.04 -0.04 2.99 2.90 1nr6A1 VAL 403 H 0.15 0.50 -0.31 -0.55 8.24 8.03 1nr6A1 VAL 403 HA 0.21 0.10 0.88 -0.75 4.13 4.57 1nr6A1 VAL 403 HB 0.08 0.20 0.09 -0.04 2.12 2.45 1nr6A1 VAL 403 HG13 0.00 -0.01 -0.16 -0.04 0.97 0.76 1nr6A1 VAL 403 HG23 0.07 -0.05 -0.10 -0.04 0.95 0.83 1nr6A1 PHE 404 H 0.03 0.12 0.08 -0.55 8.34 8.02 1nr6A1 PHE 404 HA -0.23 0.11 0.46 -0.75 4.62 4.20 1nr6A1 PHE 404 HB2 -1.30 0.06 0.05 -0.04 3.15 1.91 1nr6A1 PHE 404 HB3 -0.69 -0.03 0.14 -0.04 3.06 2.44 1nr6A1 PHE 404 HD2 -0.67 0.03 -0.11 -0.04 7.28 6.48 1nr6A1 PHE 404 HE2 -0.10 -0.04 -0.20 -0.04 7.38 7.00 1nr6A1 PHE 404 HZ -0.07 -0.02 -0.10 -0.04 7.32 7.09 1nr6A1 ASP 405 H -0.48 0.26 0.07 -0.55 8.40 7.70 1nr6A1 ASP 405 HA -0.45 0.11 0.68 -0.75 4.63 4.21 1nr6A1 ASP 405 HB2 -0.30 0.11 -0.35 -0.04 2.71 2.14 1nr6A1 ASP 405 HB3 -0.75 0.14 -0.01 -0.04 2.70 2.04 1nr6A1 PRO 406 HA -0.20 0.17 0.30 -0.51 4.44 4.21 1nr6A1 PRO 406 HB2 -0.24 0.02 -0.06 -0.04 2.28 1.95 1nr6A1 PRO 406 HB3 -0.43 0.04 -0.11 -0.04 2.02 1.48 1nr6A1 PRO 406 HG2 -0.17 0.03 0.01 -0.04 2.03 1.87 1nr6A1 PRO 406 HG3 -0.44 0.06 -0.00 -0.04 2.03 1.61 1nr6A1 PRO 406 HD2 -0.22 0.10 0.14 -0.04 3.68 3.66 1nr6A1 PRO 406 HD3 -0.67 0.20 0.02 -0.04 3.65 3.17 1nr6A1 GLY 407 H -0.21 0.08 -0.54 -0.55 8.43 7.22 1nr6A1 GLY 407 HA2 -0.06 0.02 0.26 -0.51 4.01 3.73 1nr6A1 GLY 407 HA3 -0.13 0.04 0.20 -0.51 4.01 3.61 1nr6A1 HIS 408 H -0.21 0.54 -0.45 -0.55 8.41 7.74 1nr6A1 HIS 408 HA -0.15 0.06 0.38 -0.75 4.63 4.17 1nr6A1 HIS 408 HB2 -0.15 0.02 0.06 -0.04 3.26 3.16 1nr6A1 HIS 408 HB3 -0.37 -0.03 0.03 -0.04 3.20 2.79 1nr6A1 HIS 408 HD2 -0.04 -0.05 -0.04 -0.04 6.97 6.79 1nr6A1 HIS 408 HE1 -0.02 0.28 -0.01 -0.04 7.75 7.95 1nr6A1 PHE 409 H 0.04 0.51 -0.38 -0.55 8.34 7.96 1nr6A1 PHE 409 HA -0.26 0.33 0.88 -0.75 4.62 4.81 1nr6A1 PHE 409 HB2 -0.16 0.03 0.17 -0.04 3.15 3.15 1nr6A1 PHE 409 HB3 -0.69 -0.13 0.22 -0.04 3.06 2.42 1nr6A1 PHE 409 HD2 -0.22 0.09 -0.02 -0.04 7.28 7.09 1nr6A1 PHE 409 HE2 0.06 -0.06 -0.12 -0.04 7.38 7.22 1nr6A1 PHE 409 HZ 0.17 -0.03 -0.10 -0.04 7.32 7.32 1nr6A1 LEU 410 H -0.09 0.58 -0.13 -0.55 8.37 8.18 1nr6A1 LEU 410 HA -0.06 0.22 0.83 -0.75 4.35 4.58 1nr6A1 LEU 410 HB2 -0.02 -0.05 -0.01 -0.04 1.64 1.52 1nr6A1 LEU 410 HB3 -0.00 0.03 -0.09 -0.04 1.64 1.53 1nr6A1 LEU 410 HG 0.09 -0.05 -0.15 -0.04 1.64 1.49 1nr6A1 LEU 410 HD13 0.08 0.02 -0.37 -0.04 0.93 0.62 1nr6A1 LEU 410 HD23 0.12 -0.00 -0.26 -0.04 0.89 0.70 1nr6A1 ASP 411 H -0.03 0.49 0.17 -0.55 8.40 8.48 1nr6A1 ASP 411 HA -0.05 0.26 0.81 -0.75 4.63 4.90 1nr6A1 ASP 411 HB2 -0.03 -0.08 0.15 -0.04 2.71 2.71 1nr6A1 ASP 411 HB3 -0.05 0.11 -0.00 -0.04 2.70 2.72 1nr6A1 GLU 412 H -0.03 0.18 0.14 -0.55 8.60 8.35 1nr6A1 GLU 412 HA -0.01 0.14 0.31 -0.75 4.29 3.98 1nr6A1 GLU 412 HB2 -0.02 -0.02 0.09 -0.04 2.09 2.11 1nr6A1 GLU 412 HB3 -0.01 0.03 0.13 -0.04 1.99 2.09 1nr6A1 GLU 412 HG2 -0.03 -0.01 0.10 -0.04 2.34 2.37 1nr6A1 GLU 412 HG3 -0.02 0.01 0.05 -0.04 2.34 2.34 1nr6A1 SER 413 H -0.00 -0.02 -0.53 -0.55 8.46 7.36 1nr6A1 SER 413 HA 0.00 0.23 0.77 -0.75 4.49 4.74 1nr6A1 SER 413 HB2 0.01 -0.06 -0.01 -0.04 3.95 3.85 1nr6A1 SER 413 HB3 0.01 0.05 0.12 -0.04 3.93 4.07 1nr6A1 GLY 414 H 0.01 0.63 -0.17 -0.55 8.43 8.36 1nr6A1 GLY 414 HA2 0.05 0.05 0.26 -0.51 4.01 3.87 1nr6A1 GLY 414 HA3 0.04 0.09 0.44 -0.51 4.01 4.07 1nr6A1 ASN 415 H 0.02 -0.09 -0.27 -0.55 8.53 7.65 1nr6A1 ASN 415 HA 0.08 0.18 0.78 -0.75 4.76 5.04 1nr6A1 ASN 415 HB2 0.02 -0.10 -0.03 -0.04 2.88 2.74 1nr6A1 ASN 415 HB3 0.05 0.06 0.04 -0.04 2.79 2.91 1nr6A1 ASN 415 HD21 0.03 0.02 -0.06 -0.04 7.03 6.99 1nr6A1 ASN 415 HD22 0.05 0.04 -0.00 -0.04 7.74 7.79 1nr6A1 PHE 416 H 0.19 0.10 0.16 -0.55 8.34 8.24 1nr6A1 PHE 416 HA -0.00 0.30 0.51 -0.75 4.62 4.67 1nr6A1 PHE 416 HB2 -0.03 -0.04 0.17 -0.04 3.15 3.21 1nr6A1 PHE 416 HB3 -0.04 -0.06 0.11 -0.04 3.06 3.03 1nr6A1 PHE 416 HD2 -0.09 0.00 -0.12 -0.04 7.28 7.03 1nr6A1 PHE 416 HE2 -0.40 -0.04 -0.24 -0.04 7.38 6.66 1nr6A1 PHE 416 HZ -1.88 -0.03 -0.09 -0.04 7.32 5.28 1nr6A1 LYS 417 H -0.75 0.77 0.05 -0.55 8.42 7.93 1nr6A1 LYS 417 HA -0.19 0.06 0.93 -0.75 4.32 4.36 1nr6A1 LYS 417 HB2 -0.15 -0.10 -0.32 -0.04 1.87 1.26 1nr6A1 LYS 417 HB3 -0.24 0.02 -0.27 -0.04 1.79 1.26 1nr6A1 LYS 417 HG2 -0.17 0.23 -0.19 -0.04 1.46 1.30 1nr6A1 LYS 417 HG3 -0.11 -0.10 -0.02 -0.04 1.46 1.19 1nr6A1 LYS 417 HD2 -0.11 -0.05 -0.04 -0.04 1.69 1.45 1nr6A1 LYS 417 HD3 -0.10 -0.14 -0.12 -0.04 1.68 1.29 1nr6A1 LYS 417 HE2 -0.15 0.02 -0.24 -0.04 2.99 2.57 1nr6A1 LYS 417 HE3 -0.18 0.10 -0.04 -0.04 2.99 2.83 1nr6A1 LYS 418 H -0.07 0.07 0.06 -0.55 8.42 7.93 1nr6A1 LYS 418 HA 0.02 0.10 0.45 -0.75 4.32 4.13 1nr6A1 LYS 418 HB2 0.07 -0.03 0.03 -0.04 1.87 1.90 1nr6A1 LYS 418 HB3 0.14 -0.01 0.01 -0.04 1.79 1.89 1nr6A1 LYS 418 HG2 0.31 0.03 -0.00 -0.04 1.46 1.75 1nr6A1 LYS 418 HG3 0.27 0.00 -0.02 -0.04 1.46 1.67 1nr6A1 LYS 418 HD2 0.10 -0.01 -0.02 -0.04 1.69 1.72 1nr6A1 LYS 418 HD3 0.13 0.00 -0.03 -0.04 1.68 1.75 1nr6A1 LYS 418 HE2 0.11 0.01 -0.03 -0.04 2.99 3.04 1nr6A1 LYS 418 HE3 0.08 -0.02 -0.02 -0.04 2.99 2.99 1nr6A1 SER 419 H 0.25 0.26 0.18 -0.55 8.46 8.60 1nr6A1 SER 419 HA 0.02 0.12 0.66 -0.75 4.49 4.54 1nr6A1 SER 419 HB2 -0.08 0.30 -0.04 -0.04 3.95 4.08 1nr6A1 SER 419 HB3 0.42 0.01 0.02 -0.04 3.93 4.33 1nr6A1 ASP 420 H 0.09 0.21 0.12 -0.55 8.40 8.28 1nr6A1 ASP 420 HA 0.17 0.13 0.46 -0.75 4.63 4.64 1nr6A1 ASP 420 HB2 -0.07 -0.01 0.05 -0.04 2.71 2.64 1nr6A1 ASP 420 HB3 0.08 0.02 0.06 -0.04 2.70 2.81 1nr6A1 TYR 421 H 0.32 0.04 -0.36 -0.55 8.29 7.74 1nr6A1 TYR 421 HA 0.06 0.11 0.53 -0.75 4.56 4.52 1nr6A1 TYR 421 HB2 -0.19 0.06 -0.03 -0.04 3.06 2.86 1nr6A1 TYR 421 HB3 0.18 0.25 0.07 -0.04 2.98 3.44 1nr6A1 TYR 421 HD2 -0.24 0.03 0.07 -0.04 7.15 6.97 1nr6A1 TYR 421 HE2 -0.30 -0.04 0.03 -0.04 6.85 6.50 1nr6A1 PHE 422 H 0.53 0.34 -0.50 -0.55 8.34 8.15 1nr6A1 PHE 422 HA 0.36 0.10 0.56 -0.75 4.62 4.89 1nr6A1 PHE 422 HB2 0.66 0.01 0.08 -0.04 3.15 3.86 1nr6A1 PHE 422 HB3 0.37 0.06 0.22 -0.04 3.06 3.67 1nr6A1 PHE 422 HD2 0.30 0.03 0.01 -0.04 7.28 7.58 1nr6A1 PHE 422 HE2 0.02 0.07 0.01 -0.04 7.38 7.44 1nr6A1 PHE 422 HZ -0.18 -0.02 -0.04 -0.04 7.32 7.03 1nr6A1 MET 423 H -0.04 0.28 0.03 -0.55 8.47 8.20 1nr6A1 MET 423 HA -0.05 0.22 0.74 -0.75 4.52 4.68 1nr6A1 MET 423 HB2 0.09 0.05 -0.33 -0.04 2.15 1.92 1nr6A1 MET 423 HB3 -0.00 -0.03 0.05 -0.04 2.03 2.01 1nr6A1 MET 423 HG2 -0.01 -0.17 -0.05 -0.04 2.63 2.36 1nr6A1 MET 423 HG3 0.04 0.16 -0.18 -0.04 2.56 2.54 1nr6A1 MET 423 HE3 0.12 0.01 -0.10 -0.04 2.10 2.09 1nr6A1 PRO 424 HA -0.26 0.10 0.37 -0.51 4.44 4.13 1nr6A1 PRO 424 HB2 -0.57 0.00 -0.02 -0.04 2.28 1.65 1nr6A1 PRO 424 HB3 -0.40 0.14 -0.03 -0.04 2.02 1.69 1nr6A1 PRO 424 HG2 -0.77 0.00 -0.09 -0.04 2.03 1.14 1nr6A1 PRO 424 HG3 -0.99 0.06 -0.07 -0.04 2.03 1.00 1nr6A1 PRO 424 HD2 -0.99 0.24 -0.31 -0.04 3.68 2.58 1nr6A1 PRO 424 HD3 -1.28 0.08 -0.08 -0.04 3.65 2.33 1nr6A1 PHE 425 H -0.05 0.18 -0.32 -0.55 8.34 7.59 1nr6A1 PHE 425 HA -0.05 0.16 0.78 -0.75 4.62 4.76 1nr6A1 PHE 425 HB2 -0.03 0.10 0.00 -0.04 3.15 3.18 1nr6A1 PHE 425 HB3 -0.01 -0.08 0.14 -0.04 3.06 3.07 1nr6A1 PHE 425 HD2 -0.03 0.02 -0.05 -0.04 7.28 7.17 1nr6A1 PHE 425 HE2 0.04 -0.00 -0.09 -0.04 7.38 7.29 1nr6A1 PHE 425 HZ 0.01 -0.02 -0.11 -0.04 7.32 7.16 1nr6A1 SER 426 H -0.02 0.35 -0.44 -0.55 8.46 7.80 1nr6A1 SER 426 HA -0.01 0.08 0.26 -0.75 4.49 4.07 1nr6A1 SER 426 HB2 0.04 -0.02 -0.14 -0.04 3.95 3.79 1nr6A1 SER 426 HB3 0.08 0.14 0.31 -0.04 3.93 4.43 1nr6A1 ALA 427 H 0.02 0.30 0.14 -0.55 8.40 8.31 1nr6A1 ALA 427 HA 0.06 0.13 0.52 -0.75 4.34 4.30 1nr6A1 ALA 427 HB3 0.00 0.01 -0.14 -0.04 1.41 1.25 1nr6A1 GLY 428 H 0.05 0.10 0.07 -0.55 8.43 8.10 1nr6A1 GLY 428 HA2 0.06 0.03 0.35 -0.51 4.01 3.94 1nr6A1 GLY 428 HA3 0.06 0.32 0.52 -0.51 4.01 4.39 1nr6A1 LYS 429 H 0.14 0.27 0.21 -0.55 8.42 8.49 1nr6A1 LYS 429 HA 0.20 0.04 0.31 -0.75 4.32 4.12 1nr6A1 LYS 429 HB2 0.25 0.12 0.08 -0.04 1.87 2.28 1nr6A1 LYS 429 HB3 0.60 0.00 0.04 -0.04 1.79 2.39 1nr6A1 LYS 429 HG2 0.15 -0.07 0.04 -0.04 1.46 1.54 1nr6A1 LYS 429 HG3 0.18 0.03 -0.24 -0.04 1.46 1.39 1nr6A1 LYS 429 HD2 0.17 0.01 0.00 -0.04 1.69 1.83 1nr6A1 LYS 429 HD3 0.13 -0.05 -0.04 -0.04 1.68 1.68 1nr6A1 LYS 429 HE2 0.23 -0.04 -0.04 -0.04 2.99 3.11 1nr6A1 LYS 429 HE3 0.54 0.08 -0.01 -0.04 2.99 3.56 1nr6A1 ARG 430 H 0.20 0.13 -0.26 -0.55 8.46 7.98 1nr6A1 ARG 430 HA 0.37 0.19 0.79 -0.75 4.34 4.93 1nr6A1 ARG 430 HB2 0.18 0.00 -0.01 -0.04 1.90 2.03 1nr6A1 ARG 430 HB3 -0.04 -0.02 0.06 -0.04 1.80 1.76 1nr6A1 ARG 430 HG2 -0.25 -0.10 -0.16 -0.04 1.67 1.12 1nr6A1 ARG 430 HG3 -0.49 0.10 -0.12 -0.04 1.67 1.12 1nr6A1 ARG 430 HD2 -0.36 -0.01 -0.01 -0.04 3.22 2.80 1nr6A1 ARG 430 HD3 -0.08 -0.05 -0.01 -0.04 3.22 3.05 1nr6A1 MET 431 H 0.15 0.30 -0.51 -0.55 8.47 7.86 1nr6A1 MET 431 HA 0.11 0.00 0.24 -0.75 4.52 4.11 1nr6A1 MET 431 HB2 0.09 -0.16 -0.27 -0.04 2.15 1.77 1nr6A1 MET 431 HB3 0.08 0.04 -0.12 -0.04 2.03 2.00 1nr6A1 MET 431 HG2 0.05 0.05 -0.31 -0.04 2.63 2.37 1nr6A1 MET 431 HG3 0.10 0.14 -0.31 -0.04 2.56 2.45 1nr6A1 MET 431 HE3 0.09 0.00 -0.06 -0.04 2.10 2.09 1nr6A1 CYS 432 H 0.12 0.54 0.20 -0.55 8.50 8.82 1nr6A1 CYS 432 HA 0.07 0.01 0.38 -0.75 4.58 4.30 1nr6A1 CYS 432 HB2 0.22 0.12 0.16 -0.04 2.97 3.43 1nr6A1 CYS 432 HB3 0.19 -0.04 0.14 -0.04 2.97 3.22 1nr6A1 VAL 433 H 0.03 0.13 0.16 -0.55 8.24 8.01 1nr6A1 VAL 433 HA 0.00 0.19 0.47 -0.75 4.13 4.04 1nr6A1 VAL 433 HB 0.01 -0.08 0.10 -0.04 2.12 2.12 1nr6A1 VAL 433 HG13 -0.00 -0.01 -0.17 -0.04 0.97 0.75 1nr6A1 VAL 433 HG23 0.05 0.05 -0.01 -0.04 0.95 1.00 1nr6A1 GLY 434 H -0.01 0.10 -0.15 -0.55 8.43 7.82 1nr6A1 GLY 434 HA2 -0.06 0.20 0.60 -0.51 4.01 4.25 1nr6A1 GLY 434 HA3 -0.04 0.05 0.28 -0.51 4.01 3.78 1nr6A1 GLU 435 H -0.13 0.45 -0.62 -0.55 8.60 7.75 1nr6A1 GLU 435 HA -0.72 0.02 0.26 -0.75 4.29 3.10 1nr6A1 GLU 435 HB2 -0.43 0.13 0.03 -0.04 2.09 1.77 1nr6A1 GLU 435 HB3 -0.28 0.05 0.01 -0.04 1.99 1.73 1nr6A1 GLU 435 HG2 -0.66 -0.06 -0.32 -0.04 2.34 1.25 1nr6A1 GLU 435 HG3 -1.97 -0.02 -0.03 -0.04 2.34 0.27 1nr6A1 GLY 436 H -0.16 0.24 -0.20 -0.55 8.43 7.76 1nr6A1 GLY 436 HA2 -0.14 0.06 0.38 -0.51 4.01 3.80 1nr6A1 GLY 436 HA3 -0.11 0.09 0.28 -0.51 4.01 3.76 1nr6A1 LEU 437 H -0.09 0.16 -0.22 -0.55 8.37 7.67 1nr6A1 LEU 437 HA -0.08 -0.01 0.36 -0.75 4.35 3.87 1nr6A1 LEU 437 HB2 -0.07 0.05 0.11 -0.04 1.64 1.69 1nr6A1 LEU 437 HB3 -0.06 0.12 0.12 -0.04 1.64 1.78 1nr6A1 LEU 437 HG -0.07 -0.05 0.00 -0.04 1.64 1.48 1nr6A1 LEU 437 HD13 -0.09 0.02 -0.02 -0.04 0.93 0.79 1nr6A1 LEU 437 HD23 -0.05 -0.01 -0.18 -0.04 0.89 0.61 1nr6A1 ALA 438 H -0.05 0.67 -0.14 -0.55 8.40 8.33 1nr6A1 ALA 438 HA 0.05 0.02 0.38 -0.75 4.34 4.04 1nr6A1 ALA 438 HB3 0.19 0.02 0.01 -0.04 1.41 1.59 1nr6A1 ARG 439 H -0.05 0.61 -0.09 -0.55 8.46 8.37 1nr6A1 ARG 439 HA 0.09 0.03 0.42 -0.75 4.34 4.13 1nr6A1 ARG 439 HB2 -0.07 0.09 0.13 -0.04 1.90 2.00 1nr6A1 ARG 439 HB3 -0.02 -0.05 0.02 -0.04 1.80 1.71 1nr6A1 ARG 439 HG2 0.19 -0.03 -0.01 -0.04 1.67 1.78 1nr6A1 ARG 439 HG3 -0.13 0.15 0.06 -0.04 1.67 1.71 1nr6A1 ARG 439 HD2 0.09 -0.00 -0.05 -0.04 3.22 3.21 1nr6A1 ARG 439 HD3 -0.08 -0.02 -0.06 -0.04 3.22 3.02 1nr6A1 MET 440 H -0.04 0.49 -0.25 -0.55 8.47 8.12 1nr6A1 MET 440 HA 0.01 -0.01 0.39 -0.75 4.52 4.16 1nr6A1 MET 440 HB2 -0.08 0.18 0.13 -0.04 2.15 2.34 1nr6A1 MET 440 HB3 -0.08 -0.08 -0.05 -0.04 2.03 1.79 1nr6A1 MET 440 HG2 -0.06 -0.07 0.02 -0.04 2.63 2.48 1nr6A1 MET 440 HG3 -0.07 0.19 0.03 -0.04 2.56 2.67 1nr6A1 MET 440 HE3 -0.09 0.03 -0.16 -0.04 2.10 1.84 1nr6A1 GLU 441 H -0.08 0.56 -0.10 -0.55 8.60 8.43 1nr6A1 GLU 441 HA -0.57 -0.03 0.36 -0.75 4.29 3.30 1nr6A1 GLU 441 HB2 0.00 0.15 0.20 -0.04 2.09 2.40 1nr6A1 GLU 441 HB3 0.01 -0.04 -0.01 -0.04 1.99 1.91 1nr6A1 GLU 441 HG2 -0.22 -0.07 0.01 -0.04 2.34 2.01 1nr6A1 GLU 441 HG3 -0.09 0.21 0.06 -0.04 2.34 2.49 1nr6A1 LEU 442 H 0.04 0.60 -0.12 -0.55 8.37 8.34 1nr6A1 LEU 442 HA 0.12 0.01 0.32 -0.75 4.35 4.04 1nr6A1 LEU 442 HB2 0.10 0.06 0.11 -0.04 1.64 1.87 1nr6A1 LEU 442 HB3 0.10 -0.03 -0.00 -0.04 1.64 1.66 1nr6A1 LEU 442 HG 0.11 0.28 0.05 -0.04 1.64 2.04 1nr6A1 LEU 442 HD13 0.11 -0.01 -0.07 -0.04 0.93 0.92 1nr6A1 LEU 442 HD23 0.12 -0.02 -0.05 -0.04 0.89 0.90 1nr6A1 PHE 443 H 0.14 0.58 -0.14 -0.55 8.34 8.36 1nr6A1 PHE 443 HA 0.00 0.02 0.37 -0.75 4.62 4.26 1nr6A1 PHE 443 HB2 -0.04 0.03 0.09 -0.04 3.15 3.19 1nr6A1 PHE 443 HB3 -0.06 0.03 0.14 -0.04 3.06 3.13 1nr6A1 PHE 443 HD2 -0.03 -0.00 -0.16 -0.04 7.28 7.04 1nr6A1 PHE 443 HE2 -0.01 0.05 -0.14 -0.04 7.38 7.24 1nr6A1 PHE 443 HZ 0.00 0.03 -0.24 -0.04 7.32 7.07 1nr6A1 LEU 444 H -0.03 0.76 -0.07 -0.55 8.37 8.49 1nr6A1 LEU 444 HA -0.21 0.03 0.38 -0.75 4.35 3.81 1nr6A1 LEU 444 HB2 -0.27 0.06 -0.01 -0.04 1.64 1.38 1nr6A1 LEU 444 HB3 -0.09 -0.00 -0.07 -0.04 1.64 1.43 1nr6A1 LEU 444 HG 0.14 0.03 -0.04 -0.04 1.64 1.73 1nr6A1 LEU 444 HD13 -0.06 -0.04 -0.11 -0.04 0.93 0.68 1nr6A1 LEU 444 HD23 0.11 -0.00 -0.35 -0.04 0.89 0.60 1nr6A1 PHE 445 H -0.13 0.73 -0.06 -0.55 8.34 8.32 1nr6A1 PHE 445 HA 0.00 0.05 0.57 -0.75 4.62 4.49 1nr6A1 PHE 445 HB2 0.02 0.12 0.11 -0.04 3.15 3.35 1nr6A1 PHE 445 HB3 0.02 -0.04 -0.04 -0.04 3.06 2.96 1nr6A1 PHE 445 HD2 0.02 0.01 -0.08 -0.04 7.28 7.19 1nr6A1 PHE 445 HE2 0.02 -0.04 -0.25 -0.04 7.38 7.07 1nr6A1 PHE 445 HZ 0.03 -0.00 -0.15 -0.04 7.32 7.15 1nr6A1 LEU 446 H 0.09 0.56 -0.05 -0.55 8.37 8.42 1nr6A1 LEU 446 HA 0.10 0.03 0.41 -0.75 4.35 4.13 1nr6A1 LEU 446 HB2 -0.00 0.17 0.15 -0.04 1.64 1.92 1nr6A1 LEU 446 HB3 0.04 -0.05 -0.00 -0.04 1.64 1.58 1nr6A1 LEU 446 HG 0.11 0.03 0.11 -0.04 1.64 1.85 1nr6A1 LEU 446 HD13 0.08 -0.01 -0.04 -0.04 0.93 0.92 1nr6A1 LEU 446 HD23 0.10 -0.01 -0.03 -0.04 0.89 0.91 1nr6A1 THR 447 H -0.20 0.53 -0.14 -0.55 8.28 7.92 1nr6A1 THR 447 HA -0.08 0.03 0.38 -0.75 4.39 3.97 1nr6A1 THR 447 HB -0.19 -0.01 0.01 -0.04 4.32 4.08 1nr6A1 THR 447 HG23 -0.52 -0.01 0.01 -0.04 1.22 0.67 1nr6A1 SER 448 H -0.01 0.39 -0.32 -0.55 8.46 7.97 1nr6A1 SER 448 HA 0.01 0.05 0.40 -0.75 4.49 4.20 1nr6A1 SER 448 HB2 0.13 0.06 0.20 -0.04 3.95 4.30 1nr6A1 SER 448 HB3 0.08 -0.04 0.06 -0.04 3.93 3.98 1nr6A1 ILE 449 H 0.11 0.47 -0.32 -0.55 8.25 7.95 1nr6A1 ILE 449 HA 0.31 0.02 0.36 -0.75 4.18 4.11 1nr6A1 ILE 449 HB 0.14 0.09 0.17 -0.04 1.89 2.25 1nr6A1 ILE 449 HG12 0.07 -0.06 -0.06 -0.04 1.49 1.40 1nr6A1 ILE 449 HG13 0.12 0.15 0.03 -0.04 1.21 1.47 1nr6A1 ILE 449 HG23 0.27 -0.02 -0.19 -0.04 0.93 0.95 1nr6A1 ILE 449 HD13 0.07 -0.04 -0.12 -0.04 0.88 0.74 1nr6A1 LEU 450 H 0.09 0.64 0.02 -0.55 8.37 8.58 1nr6A1 LEU 450 HA 0.13 0.17 0.41 -0.75 4.35 4.30 1nr6A1 LEU 450 HB2 0.04 0.02 0.08 -0.04 1.64 1.75 1nr6A1 LEU 450 HB3 0.06 -0.04 0.06 -0.04 1.64 1.67 1nr6A1 LEU 450 HG 0.09 0.04 0.04 -0.04 1.64 1.77 1nr6A1 LEU 450 HD13 0.07 -0.02 -0.02 -0.04 0.93 0.91 1nr6A1 LEU 450 HD23 0.08 0.01 -0.01 -0.04 0.89 0.93 1nr6A1 GLN 451 H 0.04 0.35 -0.49 -0.55 8.47 7.82 1nr6A1 GLN 451 HA -0.01 0.01 0.51 -0.75 4.36 4.12 1nr6A1 GLN 451 HB2 -0.02 -0.00 0.08 -0.04 2.15 2.17 1nr6A1 GLN 451 HB3 -0.02 0.06 0.11 -0.04 2.02 2.14 1nr6A1 GLN 451 HG2 -0.06 -0.02 -0.07 -0.04 2.40 2.20 1nr6A1 GLN 451 HG3 -0.04 0.01 0.03 -0.04 2.39 2.36 1nr6A1 GLN 451 HE21 -0.02 0.35 -0.10 -0.04 6.97 7.16 1nr6A1 GLN 451 HE22 -0.04 0.46 0.01 -0.04 7.69 8.09 1nr6A1 ASN 452 H 0.00 0.32 -0.19 -0.55 8.53 8.11 1nr6A1 ASN 452 HA -0.24 0.18 0.91 -0.75 4.76 4.86 1nr6A1 ASN 452 HB2 -0.27 0.12 0.13 -0.04 2.88 2.82 1nr6A1 ASN 452 HB3 -0.76 -0.11 0.12 -0.04 2.79 2.00 1nr6A1 ASN 452 HD21 -0.04 -0.10 -0.02 -0.04 7.03 6.83 1nr6A1 ASN 452 HD22 -0.01 0.61 0.17 -0.04 7.74 8.47 1nr6A1 PHE 453 H 0.13 0.41 -0.01 -0.55 8.34 8.31 1nr6A1 PHE 453 HA 0.01 0.22 0.86 -0.75 4.62 4.96 1nr6A1 PHE 453 HB2 0.18 -0.03 -0.17 -0.04 3.15 3.09 1nr6A1 PHE 453 HB3 0.14 -0.02 -0.17 -0.04 3.06 2.97 1nr6A1 PHE 453 HD2 0.10 0.07 -0.41 -0.04 7.28 6.99 1nr6A1 PHE 453 HE2 0.02 -0.04 -0.08 -0.04 7.38 7.24 1nr6A1 PHE 453 HZ -0.02 0.08 -0.09 -0.04 7.32 7.25 1nr6A1 LYS 454 H 0.16 0.68 0.26 -0.55 8.42 8.97 1nr6A1 LYS 454 HA 0.05 0.11 0.73 -0.75 4.32 4.46 1nr6A1 LYS 454 HB2 0.03 -0.03 0.04 -0.04 1.87 1.87 1nr6A1 LYS 454 HB3 0.02 -0.01 0.02 -0.04 1.79 1.77 1nr6A1 LYS 454 HG2 0.02 0.04 -0.07 -0.04 1.46 1.40 1nr6A1 LYS 454 HG3 0.01 0.08 -0.11 -0.04 1.46 1.39 1nr6A1 LYS 454 HD2 0.01 -0.02 -0.02 -0.04 1.69 1.61 1nr6A1 LYS 454 HD3 -0.00 -0.03 -0.04 -0.04 1.68 1.57 1nr6A1 LYS 454 HE2 -0.00 0.06 -0.06 -0.04 2.99 2.95 1nr6A1 LYS 454 HE3 0.01 -0.01 -0.06 -0.04 2.99 2.89 1nr6A1 LEU 455 H -0.00 0.15 0.10 -0.55 8.37 8.08 1nr6A1 LEU 455 HA -0.18 0.24 0.87 -0.75 4.35 4.54 1nr6A1 LEU 455 HB2 -0.06 -0.01 0.05 -0.04 1.64 1.57 1nr6A1 LEU 455 HB3 -0.16 0.01 -0.07 -0.04 1.64 1.38 1nr6A1 LEU 455 HG 0.00 0.01 -0.10 -0.04 1.64 1.52 1nr6A1 LEU 455 HD13 -0.03 -0.01 -0.09 -0.04 0.93 0.75 1nr6A1 LEU 455 HD23 -0.13 0.01 -0.30 -0.04 0.89 0.43 1nr6A1 GLN 456 H -0.16 0.54 0.28 -0.55 8.47 8.59 1nr6A1 GLN 456 HA -0.05 0.17 1.03 -0.75 4.36 4.75 1nr6A1 GLN 456 HB2 -0.03 0.01 -0.11 -0.04 2.15 1.98 1nr6A1 GLN 456 HB3 -0.05 -0.03 0.12 -0.04 2.02 2.02 1nr6A1 GLN 456 HG2 -0.03 0.16 -0.28 -0.04 2.40 2.21 1nr6A1 GLN 456 HG3 -0.02 -0.01 -0.00 -0.04 2.39 2.31 1nr6A1 GLN 456 HE21 -0.00 -0.01 -0.07 -0.04 6.97 6.85 1nr6A1 GLN 456 HE22 -0.02 0.03 -0.21 -0.04 7.69 7.45 1nr6A1 SER 457 H -0.05 0.19 0.15 -0.55 8.46 8.20 1nr6A1 SER 457 HA -0.03 0.14 0.87 -0.75 4.49 4.71 1nr6A1 SER 457 HB2 -0.03 -0.12 0.12 -0.04 3.95 3.87 1nr6A1 SER 457 HB3 -0.06 0.00 0.07 -0.04 3.93 3.90 1nr6A1 LEU 458 H -0.01 0.19 0.20 -0.55 8.37 8.21 1nr6A1 LEU 458 HA -0.01 0.12 0.48 -0.75 4.35 4.18 1nr6A1 LEU 458 HB2 -0.00 -0.02 0.07 -0.04 1.64 1.65 1nr6A1 LEU 458 HB3 -0.01 -0.01 0.07 -0.04 1.64 1.65 1nr6A1 LEU 458 HG -0.00 0.10 -0.03 -0.04 1.64 1.67 1nr6A1 LEU 458 HD13 -0.01 -0.02 -0.05 -0.04 0.93 0.82 1nr6A1 LEU 458 HD23 -0.01 0.00 -0.17 -0.04 0.89 0.67 1nr6A1 VAL 459 H -0.02 0.05 -0.07 -0.55 8.24 7.65 1nr6A1 VAL 459 HA -0.01 0.19 0.86 -0.75 4.13 4.41 1nr6A1 VAL 459 HB -0.02 -0.04 0.05 -0.04 2.12 2.08 1nr6A1 VAL 459 HG13 -0.01 -0.01 -0.12 -0.04 0.97 0.80 1nr6A1 VAL 459 HG23 -0.02 0.03 -0.19 -0.04 0.95 0.73 1nr6A1 GLU 460 H -0.02 0.07 0.11 -0.55 8.60 8.22 1nr6A1 GLU 460 HA -0.03 0.22 0.56 -0.75 4.29 4.29 1nr6A1 GLU 460 HB2 -0.02 -0.05 0.14 -0.04 2.09 2.12 1nr6A1 GLU 460 HB3 -0.02 -0.03 0.11 -0.04 1.99 2.01 1nr6A1 GLU 460 HG2 -0.02 0.09 0.02 -0.04 2.34 2.39 1nr6A1 GLU 460 HG3 -0.01 -0.00 0.05 -0.04 2.34 2.34 1nr6A1 PRO 461 HA -0.10 0.12 0.45 -0.51 4.44 4.39 1nr6A1 PRO 461 HB2 -0.07 -0.09 0.14 -0.04 2.28 2.22 1nr6A1 PRO 461 HB3 -0.13 0.32 0.24 -0.04 2.02 2.40 1nr6A1 PRO 461 HG2 -0.05 -0.03 0.15 -0.04 2.03 2.07 1nr6A1 PRO 461 HG3 -0.07 0.29 0.21 -0.04 2.03 2.41 1nr6A1 PRO 461 HD2 -0.03 0.01 0.26 -0.04 3.68 3.88 1nr6A1 PRO 461 HD3 -0.04 0.19 0.28 -0.04 3.65 4.03 1nr6A1 LYS 462 H -0.04 0.05 -0.25 -0.55 8.42 7.62 1nr6A1 LYS 462 HA -0.03 0.13 0.40 -0.75 4.32 4.07 1nr6A1 LYS 462 HB2 -0.01 0.02 0.09 -0.04 1.87 1.93 1nr6A1 LYS 462 HB3 -0.02 -0.01 0.10 -0.04 1.79 1.82 1nr6A1 LYS 462 HG2 -0.02 -0.12 -0.04 -0.04 1.46 1.25 1nr6A1 LYS 462 HG3 -0.01 0.04 -0.17 -0.04 1.46 1.27 1nr6A1 LYS 462 HD2 -0.01 0.02 0.01 -0.04 1.69 1.67 1nr6A1 LYS 462 HD3 -0.01 -0.01 0.02 -0.04 1.68 1.64 1nr6A1 LYS 462 HE2 -0.01 0.01 -0.02 -0.04 2.99 2.93 1nr6A1 LYS 462 HE3 -0.01 -0.01 0.00 -0.04 2.99 2.94 1nr6A1 ASP 463 H -0.03 0.47 -0.41 -0.55 8.40 7.89 1nr6A1 ASP 463 HA -0.01 0.15 0.73 -0.75 4.63 4.74 1nr6A1 ASP 463 HB2 -0.02 0.03 0.01 -0.04 2.71 2.69 1nr6A1 ASP 463 HB3 -0.01 -0.03 0.13 -0.04 2.70 2.75 1nr6A1 LEU 464 H -0.05 0.46 -0.30 -0.55 8.37 7.94 1nr6A1 LEU 464 HA -0.04 0.01 0.71 -0.75 4.35 4.28 1nr6A1 LEU 464 HB2 -0.08 -0.01 0.02 -0.04 1.64 1.52 1nr6A1 LEU 464 HB3 -0.11 0.05 0.07 -0.04 1.64 1.62 1nr6A1 LEU 464 HG -0.13 0.08 -0.15 -0.04 1.64 1.40 1nr6A1 LEU 464 HD13 -0.05 -0.03 -0.01 -0.04 0.93 0.80 1nr6A1 LEU 464 HD23 -0.16 -0.00 -0.17 -0.04 0.89 0.52 1nr6A1 ASP 465 H -0.02 0.15 0.16 -0.55 8.40 8.13 1nr6A1 ASP 465 HA 0.00 0.05 0.62 -0.75 4.63 4.54 1nr6A1 ASP 465 HB2 0.00 0.02 0.10 -0.04 2.71 2.79 1nr6A1 ASP 465 HB3 -0.00 0.03 0.18 -0.04 2.70 2.87 1nr6A1 ILE 466 H 0.04 0.13 0.17 -0.55 8.25 8.04 1nr6A1 ILE 466 HA 0.03 0.25 0.86 -0.75 4.18 4.57 1nr6A1 ILE 466 HB 0.23 -0.01 0.09 -0.04 1.89 2.16 1nr6A1 ILE 466 HG12 0.05 0.01 -0.02 -0.04 1.49 1.48 1nr6A1 ILE 466 HG13 0.06 0.01 0.05 -0.04 1.21 1.29 1nr6A1 ILE 466 HG23 -0.08 0.02 -0.28 -0.04 0.93 0.55 1nr6A1 ILE 466 HD13 0.30 0.00 -0.20 -0.04 0.88 0.94 1nr6A1 THR 467 H 0.06 -0.02 -0.01 -0.55 8.28 7.77 1nr6A1 THR 467 HA 0.12 0.07 0.51 -0.75 4.39 4.34 1nr6A1 THR 467 HB 0.04 -0.03 0.08 -0.04 4.32 4.38 1nr6A1 THR 467 HG23 0.04 0.06 -0.02 -0.04 1.22 1.26 1nr6A1 ALA 468 H 0.13 0.10 0.16 -0.55 8.40 8.24 1nr6A1 ALA 468 HA 0.10 0.25 0.51 -0.75 4.34 4.45 1nr6A1 ALA 468 HB3 0.23 -0.02 -0.09 -0.04 1.41 1.48 1nr6A1 VAL 469 H 0.04 0.65 0.21 -0.55 8.24 8.59 1nr6A1 VAL 469 HA 0.02 0.11 0.80 -0.75 4.13 4.31 1nr6A1 VAL 469 HB 0.02 -0.01 0.08 -0.04 2.12 2.17 1nr6A1 VAL 469 HG13 0.01 0.02 -0.10 -0.04 0.97 0.87 1nr6A1 VAL 469 HG23 0.02 0.01 -0.13 -0.04 0.95 0.81 1nr6A1 VAL 470 H -0.00 0.18 0.09 -0.55 8.24 7.96 1nr6A1 VAL 470 HA 0.01 0.13 0.58 -0.75 4.13 4.09 1nr6A1 VAL 470 HB -0.06 0.11 0.14 -0.04 2.12 2.27 1nr6A1 VAL 470 HG13 -0.10 0.00 -0.44 -0.04 0.97 0.39 1nr6A1 VAL 470 HG23 -0.04 -0.04 -0.02 -0.04 0.95 0.80 1nr6A1 ASN 471 H 0.03 0.55 0.24 -0.55 8.53 8.79 1nr6A1 ASN 471 HA 0.02 0.14 0.78 -0.75 4.76 4.95 1nr6A1 ASN 471 HB2 0.05 -0.03 0.22 -0.04 2.88 3.08 1nr6A1 ASN 471 HB3 0.05 -0.01 0.10 -0.04 2.79 2.88 1nr6A1 ASN 471 HD21 0.04 -0.01 -0.02 -0.04 7.03 6.99 1nr6A1 ASN 471 HD22 0.06 -0.05 0.01 -0.04 7.74 7.72 1nr6A1 GLY 472 H 0.06 0.02 0.09 -0.55 8.43 8.06 1nr6A1 GLY 472 HA2 -0.03 0.21 0.45 -0.51 4.01 4.14 1nr6A1 GLY 472 HA3 0.11 0.04 0.42 -0.51 4.01 4.08 1nr6A1 PHE 473 H 0.35 0.12 0.18 -0.55 8.34 8.44 1nr6A1 PHE 473 HA -0.05 0.17 0.65 -0.75 4.62 4.64 1nr6A1 PHE 473 HB2 0.03 -0.05 0.09 -0.04 3.15 3.18 1nr6A1 PHE 473 HB3 0.00 0.05 0.09 -0.04 3.06 3.17 1nr6A1 PHE 473 HD2 0.04 0.00 0.12 -0.04 7.28 7.39 1nr6A1 PHE 473 HE2 0.08 0.10 0.07 -0.04 7.38 7.59 1nr6A1 PHE 473 HZ 0.10 -0.08 0.03 -0.04 7.32 7.33 1nr6A1 VAL 474 H 0.13 -0.16 0.02 -0.55 8.24 7.69 1nr6A1 VAL 474 HA 0.06 0.57 1.09 -0.75 4.13 5.10 1nr6A1 VAL 474 HB 0.10 -0.13 0.04 -0.04 2.12 2.08 1nr6A1 VAL 474 HG13 0.08 0.02 -0.26 -0.04 0.97 0.76 1nr6A1 VAL 474 HG23 0.10 -0.02 -0.14 -0.04 0.95 0.85 1nr6A1 SER 475 H 0.05 0.61 0.31 -0.55 8.46 8.88 1nr6A1 SER 475 HA 0.05 -0.01 0.43 -0.75 4.49 4.20 1nr6A1 SER 475 HB2 0.08 0.03 0.10 -0.04 3.95 4.11 1nr6A1 SER 475 HB3 0.10 -0.04 -0.06 -0.04 3.93 3.89 1nr6A1 VAL 476 H 0.06 0.61 0.27 -0.55 8.24 8.63 1nr6A1 VAL 476 HA 0.08 0.20 0.95 -0.75 4.13 4.61 1nr6A1 VAL 476 HB 0.01 -0.00 0.07 -0.04 2.12 2.16 1nr6A1 VAL 476 HG13 0.06 -0.00 -0.09 -0.04 0.97 0.89 1nr6A1 VAL 476 HG23 0.01 0.09 -0.06 -0.04 0.95 0.95 1nr6A1 PRO 477 HA -0.47 0.15 0.38 -0.51 4.44 3.98 1nr6A1 PRO 477 HB2 -0.45 0.16 -0.02 -0.04 2.28 1.93 1nr6A1 PRO 477 HB3 -2.04 -0.01 0.04 -0.04 2.02 -0.04 1nr6A1 PRO 477 HG2 -0.12 0.02 -0.08 -0.04 2.03 1.80 1nr6A1 PRO 477 HG3 -0.21 -0.04 -0.12 -0.04 2.03 1.62 1nr6A1 PRO 477 HD2 -0.07 -0.01 0.18 -0.04 3.68 3.74 1nr6A1 PRO 477 HD3 -0.13 0.19 0.17 -0.04 3.65 3.84 1nr6A1 PRO 478 HA -0.01 -0.01 0.47 -0.51 4.44 4.37 1nr6A1 PRO 478 HB2 0.00 0.12 -0.03 -0.04 2.28 2.33 1nr6A1 PRO 478 HB3 0.00 -0.08 0.10 -0.04 2.02 2.00 1nr6A1 PRO 478 HG2 -0.00 -0.10 -0.27 -0.04 2.03 1.62 1nr6A1 PRO 478 HG3 -0.00 0.20 0.00 -0.04 2.03 2.19 1nr6A1 PRO 478 HD2 -0.13 0.12 0.06 -0.04 3.68 3.69 1nr6A1 PRO 478 HD3 -0.10 0.16 -0.18 -0.04 3.65 3.49 1nr6A1 SER 479 H 0.01 0.03 0.14 -0.55 8.46 8.09 1nr6A1 SER 479 HA -0.01 0.05 0.46 -0.75 4.49 4.23 1nr6A1 SER 479 HB2 -0.01 0.00 0.13 -0.04 3.95 4.02 1nr6A1 SER 479 HB3 -0.00 -0.02 0.08 -0.04 3.93 3.94 1nr6A1 TYR 480 H -0.23 0.23 0.26 -0.55 8.29 7.99 1nr6A1 TYR 480 HA -0.04 0.07 0.46 -0.75 4.56 4.29 1nr6A1 TYR 480 HB2 -0.05 -0.04 0.13 -0.04 3.06 3.06 1nr6A1 TYR 480 HB3 -0.06 0.18 -0.14 -0.04 2.98 2.92 1nr6A1 TYR 480 HD2 -0.08 0.19 -0.23 -0.04 7.15 6.99 1nr6A1 TYR 480 HE2 -0.08 0.01 -0.16 -0.04 6.85 6.58 1nr6A1 GLN 481 H 0.08 0.20 0.22 -0.55 8.47 8.43 1nr6A1 GLN 481 HA -0.16 0.32 0.97 -0.75 4.36 4.74 1nr6A1 GLN 481 HB2 -0.02 -0.06 0.01 -0.04 2.15 2.05 1nr6A1 GLN 481 HB3 -0.03 -0.01 -0.04 -0.04 2.02 1.91 1nr6A1 GLN 481 HG2 -0.08 0.03 -0.32 -0.04 2.40 1.98 1nr6A1 GLN 481 HG3 -0.05 -0.05 -0.29 -0.04 2.39 1.96 1nr6A1 GLN 481 HE21 -0.02 0.09 -0.20 -0.04 6.97 6.80 1nr6A1 GLN 481 HE22 -0.04 -0.19 -0.27 -0.04 7.69 7.15 1nr6A1 LEU 482 H -0.05 0.56 0.42 -0.55 8.37 8.75 1nr6A1 LEU 482 HA -0.05 0.13 0.72 -0.75 4.35 4.40 1nr6A1 LEU 482 HB2 -0.16 0.06 0.01 -0.04 1.64 1.51 1nr6A1 LEU 482 HB3 0.05 -0.00 -0.35 -0.04 1.64 1.30 1nr6A1 LEU 482 HG -0.79 0.04 -0.44 -0.04 1.64 0.40 1nr6A1 LEU 482 HD13 -0.27 -0.01 -0.17 -0.04 0.93 0.43 1nr6A1 LEU 482 HD23 -0.02 0.01 -0.07 -0.04 0.89 0.76 1nr6A1 CYS 483 H -0.14 0.65 0.32 -0.55 8.50 8.78 1nr6A1 CYS 483 HA -0.01 0.29 0.72 -0.75 4.58 4.82 1nr6A1 CYS 483 HB2 -0.04 -0.06 0.03 -0.04 2.97 2.85 1nr6A1 CYS 483 HB3 0.01 0.13 -0.22 -0.04 2.97 2.85 1nr6A1 PHE 484 H 0.17 0.21 -0.00 -0.55 8.34 8.16 1nr6A1 PHE 484 HA -0.09 0.20 0.80 -0.75 4.62 4.78 1nr6A1 PHE 484 HB2 -0.34 0.02 0.18 -0.04 3.15 2.97 1nr6A1 PHE 484 HB3 -1.07 0.05 -0.03 -0.04 3.06 1.97 1nr6A1 PHE 484 HD2 -0.33 0.06 -0.10 -0.04 7.28 6.87 1nr6A1 PHE 484 HE2 -0.11 -0.01 -0.13 -0.04 7.38 7.08 1nr6A1 PHE 484 HZ -0.08 -0.05 -0.10 -0.04 7.32 7.05 1nr6A1 ILE 485 H 0.09 0.56 0.12 -0.55 8.25 8.46 1nr6A1 ILE 485 HA 0.14 0.11 0.67 -0.75 4.18 4.35 1nr6A1 ILE 485 HB 0.06 -0.09 0.14 -0.04 1.89 1.95 1nr6A1 ILE 485 HG12 0.01 0.07 -0.10 -0.04 1.49 1.43 1nr6A1 ILE 485 HG13 0.02 -0.05 -0.08 -0.04 1.21 1.06 1nr6A1 ILE 485 HG23 0.02 0.04 -0.08 -0.04 0.93 0.87 1nr6A1 ILE 485 HD13 0.04 -0.01 -0.10 -0.04 0.88 0.76 1nr6A1 PRO 486 HA -0.22 0.31 0.51 -0.51 4.44 4.53 1nr6A1 PRO 486 HB2 -0.24 -0.07 0.01 -0.04 2.28 1.94 1nr6A1 PRO 486 HB3 -0.11 0.05 0.08 -0.04 2.02 2.00 1nr6A1 PRO 486 HG2 0.14 -0.02 0.10 -0.04 2.03 2.21 1nr6A1 PRO 486 HG3 0.31 0.07 0.12 -0.04 2.03 2.48 1nr6A1 PRO 486 HD2 0.07 0.02 0.21 -0.04 3.68 3.95 1nr6A1 PRO 486 HD3 0.21 0.31 0.44 -0.04 3.65 4.57 1nr6A1 ILE 487 H -0.30 0.64 0.21 -0.55 8.25 8.25 1nr6A1 ILE 487 HA -0.21 0.05 0.79 -0.75 4.18 4.06 1nr6A1 ILE 487 HB -0.14 0.13 0.00 -0.04 1.89 1.84 1nr6A1 ILE 487 HG12 -0.05 -0.08 -0.13 -0.04 1.49 1.19 1nr6A1 ILE 487 HG13 -0.05 0.01 -0.36 -0.04 1.21 0.78 1nr6A1 ILE 487 HG23 -0.06 -0.03 -0.16 -0.04 0.93 0.64 1nr6A1 ILE 487 HD13 -0.02 0.01 -0.31 -0.04 0.88 0.53 1nr6A1 HIS 488 H -0.14 0.14 -0.01 -0.55 8.41 7.86 1nr6A1 HIS 488 HA -0.04 0.20 0.43 -0.75 4.63 4.48 1nr6A1 HIS 488 HB2 -0.01 -0.04 0.02 -0.04 3.26 3.19 1nr6A1 HIS 488 HB3 -0.03 0.12 -0.13 -0.04 3.20 3.12 1nr6A1 HIS 488 HD2 0.00 -0.04 0.01 -0.04 6.97 6.90 1nr6A1 HIS 488 HE1 0.02 -0.01 -0.05 -0.04 7.75 7.68