============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. PHE 14 1.000 2.378 2.075 12.897 -99.200 -91.000 PHE 18 1.000 7.337 11.757 22.639 -99.200 -91.000 PHE 24 1.000 -1.115 6.274 19.780 -99.200 -91.000 TYR 37 0.840 12.438 6.176 14.771 -99.200 -91.000 TRP 41 1.040 13.456 8.888 28.441 -99.200 -91.000 TRP6 41 1.020 14.805 10.765 28.918 -99.200 -91.000 TYR 44 0.840 13.405 -0.736 34.741 -99.200 -91.000 TYR 49 0.840 8.150 -1.253 21.113 -99.200 -91.000 PHE 53 1.000 4.767 -4.507 19.721 -99.200 -91.000 HIS 72 0.900 6.871 9.641 9.337 -99.200 -91.000 PHE 79 1.000 2.113 15.874 23.274 -99.200 -91.000 PHE 84 1.000 3.156 24.205 24.602 -99.200 -91.000 PHE 93 1.000 8.133 25.411 14.633 -99.200 -91.000 PHE 101 1.000 3.162 20.367 19.896 -99.200 -91.000 PHE 102 1.000 11.497 22.996 18.666 -99.200 -91.000 PHE 117 1.000 -4.379 7.829 16.051 -99.200 -91.000 PHE 124 1.000 -2.864 19.240 25.210 -99.200 -91.000 HIS 127 0.900 -1.462 22.792 31.597 -99.200 -91.000 TYR 145 0.840 0.059 18.127 8.745 -99.200 -91.000 PHE 147 1.000 -6.161 20.450 17.218 -99.200 -91.000 HIS 148 0.900 -10.835 17.056 11.888 -99.200 -91.000 TYR 157 0.840 -15.995 4.902 22.110 -99.200 -91.000 TYR 167 0.840 -8.556 8.803 22.551 -99.200 -91.000 PHE 171 1.000 -7.423 12.720 8.026 -99.200 -91.000 PHE 180 1.000 -11.500 11.712 12.113 -99.200 -91.000 PHE 182 1.000 -12.858 12.973 16.891 -99.200 -91.000 PHE 186 1.000 -19.356 -0.377 21.522 -99.200 -91.000 PHE 191 1.000 -21.297 -4.435 33.549 -99.200 -91.000 HIS 204 0.900 0.611 -12.365 44.357 -99.200 -91.000 TYR 242 0.840 -13.567 2.818 44.048 -99.200 -91.000 TYR 254 0.840 4.577 8.573 37.432 -99.200 -91.000 PHE 259 1.000 -7.028 -1.472 49.484 -99.200 -91.000 TYR 265 0.840 -11.227 -2.791 41.837 -99.200 -91.000 HIS 275 0.900 -1.449 -11.083 38.239 -99.200 -91.000 TYR 285 0.840 -1.713 -3.023 26.279 -99.200 -91.000 TYR 289 0.840 2.203 -5.940 25.703 -99.200 -91.000 HIS 292 0.900 9.896 -5.328 33.882 -99.200 -91.000 TYR 299 0.840 0.351 -3.072 40.061 -99.200 -91.000 PHE 302 1.000 -0.353 -3.441 31.274 -99.200 -91.000 TYR 313 0.840 -14.516 0.331 18.403 -99.200 -91.000 TYR 316 0.840 -12.867 0.032 9.487 -99.200 -91.000 PHE 324 1.000 -16.190 8.667 -0.558 -99.200 -91.000 TYR 327 0.840 -12.135 7.894 -11.619 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1hmyA1 MET 1 HA -0.06 -0.20 0.15 -0.75 4.52 3.66 1hmyA1 MET 1 HB2 -0.07 -0.08 -0.02 -0.04 2.15 1.94 1hmyA1 MET 1 HB3 -0.08 0.02 -0.01 -0.04 2.03 1.92 1hmyA1 MET 1 HG2 -0.01 -0.06 -0.14 -0.04 2.63 2.38 1hmyA1 MET 1 HG3 -0.03 0.14 -0.36 -0.04 2.56 2.27 1hmyA1 MET 1 HE3 -0.06 -0.00 -0.13 -0.04 2.10 1.86 1hmyA1 ILE 2 H -0.09 0.05 0.06 -0.55 8.25 7.72 1hmyA1 ILE 2 HA -0.03 0.21 0.84 -0.75 4.18 4.45 1hmyA1 ILE 2 HB -0.07 0.01 0.06 -0.04 1.89 1.86 1hmyA1 ILE 2 HG12 -0.19 -0.10 0.04 -0.04 1.49 1.20 1hmyA1 ILE 2 HG13 -0.22 0.02 -0.24 -0.04 1.21 0.73 1hmyA1 ILE 2 HG23 0.01 0.01 -0.13 -0.04 0.93 0.77 1hmyA1 ILE 2 HD13 -0.44 0.01 -0.07 -0.04 0.88 0.34 1hmyA1 GLU 3 H -0.03 0.13 0.12 -0.55 8.60 8.27 1hmyA1 GLU 3 HA -0.02 0.24 1.02 -0.75 4.29 4.77 1hmyA1 GLU 3 HB2 -0.01 -0.04 0.09 -0.04 2.09 2.08 1hmyA1 GLU 3 HB3 -0.00 0.04 -0.05 -0.04 1.99 1.93 1hmyA1 GLU 3 HG2 0.00 0.09 -0.10 -0.04 2.34 2.29 1hmyA1 GLU 3 HG3 -0.00 -0.01 -0.11 -0.04 2.34 2.17 1hmyA1 ILE 4 H -0.01 0.29 0.10 -0.55 8.25 8.09 1hmyA1 ILE 4 HA -0.05 0.07 0.77 -0.75 4.18 4.22 1hmyA1 ILE 4 HB 0.04 0.19 0.07 -0.04 1.89 2.15 1hmyA1 ILE 4 HG12 -0.10 -0.01 -0.08 -0.04 1.49 1.25 1hmyA1 ILE 4 HG13 -0.07 -0.01 -0.25 -0.04 1.21 0.84 1hmyA1 ILE 4 HG23 0.17 -0.05 -0.19 -0.04 0.93 0.82 1hmyA1 ILE 4 HD13 0.07 0.01 -0.08 -0.04 0.88 0.84 1hmyA1 LYS 5 H -0.01 0.15 0.09 -0.55 8.42 8.10 1hmyA1 LYS 5 HA 0.03 0.23 0.72 -0.75 4.32 4.54 1hmyA1 LYS 5 HB2 0.01 -0.01 0.10 -0.04 1.87 1.92 1hmyA1 LYS 5 HB3 0.02 0.01 0.07 -0.04 1.79 1.85 1hmyA1 LYS 5 HG2 0.01 0.04 -0.02 -0.04 1.46 1.45 1hmyA1 LYS 5 HG3 0.00 -0.00 -0.15 -0.04 1.46 1.27 1hmyA1 LYS 5 HD2 -0.00 -0.00 -0.01 -0.04 1.69 1.64 1hmyA1 LYS 5 HD3 0.01 -0.01 0.00 -0.04 1.68 1.64 1hmyA1 LYS 5 HE2 0.01 0.01 -0.02 -0.04 2.99 2.94 1hmyA1 LYS 5 HE3 0.00 0.01 -0.04 -0.04 2.99 2.92 1hmyA1 ASP 6 H 0.13 0.08 -0.13 -0.55 8.40 7.92 1hmyA1 ASP 6 HA 0.09 0.16 0.68 -0.75 4.63 4.80 1hmyA1 ASP 6 HB2 0.18 -0.04 0.06 -0.04 2.71 2.87 1hmyA1 ASP 6 HB3 0.54 -0.01 0.23 -0.04 2.70 3.42 1hmyA1 LYS 7 H 0.06 0.25 -0.02 -0.55 8.42 8.16 1hmyA1 LYS 7 HA 0.07 0.12 0.33 -0.75 4.32 4.09 1hmyA1 LYS 7 HB2 0.04 -0.05 0.18 -0.04 1.87 2.00 1hmyA1 LYS 7 HB3 0.04 0.05 -0.10 -0.04 1.79 1.74 1hmyA1 LYS 7 HG2 0.05 0.01 -0.03 -0.04 1.46 1.44 1hmyA1 LYS 7 HG3 0.04 -0.03 0.01 -0.04 1.46 1.44 1hmyA1 LYS 7 HD2 0.05 -0.04 -0.19 -0.04 1.69 1.46 1hmyA1 LYS 7 HD3 0.06 0.11 -0.15 -0.04 1.68 1.66 1hmyA1 LYS 7 HE2 0.04 0.04 0.01 -0.04 2.99 3.04 1hmyA1 LYS 7 HE3 0.04 -0.09 0.00 -0.04 2.99 2.90 1hmyA1 GLN 8 H -0.03 0.65 0.21 -0.55 8.47 8.75 1hmyA1 GLN 8 HA -0.07 0.00 0.13 -0.75 4.36 3.67 1hmyA1 GLN 8 HB2 -0.35 0.01 0.18 -0.04 2.15 1.95 1hmyA1 GLN 8 HB3 -0.24 -0.10 0.23 -0.04 2.02 1.87 1hmyA1 GLN 8 HG2 -0.38 0.10 0.09 -0.04 2.40 2.16 1hmyA1 GLN 8 HG3 -1.26 -0.03 0.11 -0.04 2.39 1.17 1hmyA1 GLN 8 HE21 -0.03 0.02 -0.04 -0.04 6.97 6.87 1hmyA1 GLN 8 HE22 -0.02 -0.04 -0.02 -0.04 7.69 7.57 1hmyA1 LEU 9 H 0.01 0.55 -0.61 -0.55 8.37 7.77 1hmyA1 LEU 9 HA 0.01 0.21 0.90 -0.75 4.35 4.72 1hmyA1 LEU 9 HB2 0.04 0.02 -0.29 -0.04 1.64 1.38 1hmyA1 LEU 9 HB3 0.06 -0.12 0.04 -0.04 1.64 1.58 1hmyA1 LEU 9 HG -0.01 -0.06 -0.33 -0.04 1.64 1.20 1hmyA1 LEU 9 HD13 0.02 -0.02 -0.12 -0.04 0.93 0.76 1hmyA1 LEU 9 HD23 0.00 0.09 -0.05 -0.04 0.89 0.89 1hmyA1 THR 10 H 0.02 0.42 0.20 -0.55 8.28 8.37 1hmyA1 THR 10 HA 0.05 0.22 0.41 -0.75 4.39 4.31 1hmyA1 THR 10 HB 0.03 -0.04 0.08 -0.04 4.32 4.35 1hmyA1 THR 10 HG23 0.03 0.03 0.13 -0.04 1.22 1.38 1hmyA1 GLY 11 H 0.04 0.21 0.15 -0.55 8.43 8.29 1hmyA1 GLY 11 HA2 0.03 -0.04 0.34 -0.51 4.01 3.82 1hmyA1 GLY 11 HA3 0.03 0.09 0.32 -0.51 4.01 3.94 1hmyA1 LEU 12 H 0.06 0.49 -0.51 -0.55 8.37 7.86 1hmyA1 LEU 12 HA 0.06 0.08 0.77 -0.75 4.35 4.50 1hmyA1 LEU 12 HB2 0.08 0.11 0.05 -0.04 1.64 1.84 1hmyA1 LEU 12 HB3 0.10 -0.09 0.02 -0.04 1.64 1.63 1hmyA1 LEU 12 HG 0.04 0.13 -0.11 -0.04 1.64 1.65 1hmyA1 LEU 12 HD13 0.04 -0.00 -0.03 -0.04 0.93 0.90 1hmyA1 LEU 12 HD23 0.04 -0.00 -0.02 -0.04 0.89 0.86 1hmyA1 ARG 13 H 0.09 0.11 0.25 -0.55 8.46 8.36 1hmyA1 ARG 13 HA 0.07 0.26 0.99 -0.75 4.34 4.91 1hmyA1 ARG 13 HB2 0.08 -0.14 0.12 -0.04 1.90 1.91 1hmyA1 ARG 13 HB3 0.03 0.07 0.08 -0.04 1.80 1.94 1hmyA1 ARG 13 HG2 0.02 0.04 -0.09 -0.04 1.67 1.61 1hmyA1 ARG 13 HG3 0.04 0.02 -0.03 -0.04 1.67 1.66 1hmyA1 ARG 13 HD2 0.02 0.02 -0.02 -0.04 3.22 3.21 1hmyA1 ARG 13 HD3 0.03 -0.09 -0.06 -0.04 3.22 3.07 1hmyA1 PHE 14 H -0.12 0.60 0.40 -0.55 8.34 8.67 1hmyA1 PHE 14 HA 0.11 0.09 0.93 -0.75 4.62 5.01 1hmyA1 PHE 14 HB2 0.06 0.14 0.13 -0.04 3.15 3.43 1hmyA1 PHE 14 HB3 0.07 -0.03 -0.21 -0.04 3.06 2.85 1hmyA1 PHE 14 HD2 0.02 0.01 -0.37 -0.04 7.28 6.90 1hmyA1 PHE 14 HE2 0.02 -0.01 -0.40 -0.04 7.38 6.94 1hmyA1 PHE 14 HZ -0.02 0.03 -0.14 -0.04 7.32 7.15 1hmyA1 ILE 15 H 0.18 0.54 0.36 -0.55 8.25 8.78 1hmyA1 ILE 15 HA -0.02 0.16 1.07 -0.75 4.18 4.64 1hmyA1 ILE 15 HB 0.08 -0.08 -0.14 -0.04 1.89 1.71 1hmyA1 ILE 15 HG12 -0.41 0.09 0.08 -0.04 1.49 1.20 1hmyA1 ILE 15 HG13 -0.08 -0.12 -0.03 -0.04 1.21 0.93 1hmyA1 ILE 15 HG23 -0.21 0.02 -0.22 -0.04 0.93 0.49 1hmyA1 ILE 15 HD13 -0.38 0.03 -0.12 -0.04 0.88 0.37 1hmyA1 ASP 16 H 0.02 0.49 0.03 -0.55 8.40 8.39 1hmyA1 ASP 16 HA 0.08 0.13 0.61 -0.75 4.63 4.70 1hmyA1 ASP 16 HB2 0.21 0.04 0.01 -0.04 2.71 2.93 1hmyA1 ASP 16 HB3 0.03 0.02 0.34 -0.04 2.70 3.05 1hmyA1 LEU 17 H -0.00 0.54 0.08 -0.55 8.37 8.44 1hmyA1 LEU 17 HA -0.13 -0.04 0.55 -0.75 4.35 3.98 1hmyA1 LEU 17 HB2 0.11 0.29 0.16 -0.04 1.64 2.17 1hmyA1 LEU 17 HB3 0.01 -0.10 -0.02 -0.04 1.64 1.49 1hmyA1 LEU 17 HG -0.01 0.06 -0.09 -0.04 1.64 1.57 1hmyA1 LEU 17 HD13 -0.01 0.01 -0.09 -0.04 0.93 0.79 1hmyA1 LEU 17 HD23 -0.05 -0.03 -0.14 -0.04 0.89 0.64 1hmyA1 PHE 18 H -0.39 0.06 0.14 -0.55 8.34 7.60 1hmyA1 PHE 18 HA -0.01 -0.10 0.34 -0.75 4.62 4.10 1hmyA1 PHE 18 HB2 0.06 0.07 -0.10 -0.04 3.15 3.14 1hmyA1 PHE 18 HB3 0.05 0.03 0.16 -0.04 3.06 3.26 1hmyA1 PHE 18 HD2 0.00 -0.00 -0.17 -0.04 7.28 7.08 1hmyA1 PHE 18 HE2 -0.02 0.01 -0.04 -0.04 7.38 7.29 1hmyA1 PHE 18 HZ 0.01 0.13 -0.02 -0.04 7.32 7.40 1hmyA1 ALA 19 H 0.00 0.56 0.00 -0.55 8.40 8.42 1hmyA1 ALA 19 HA 0.19 0.04 0.09 -0.75 4.34 3.92 1hmyA1 ALA 19 HB3 0.03 0.01 -0.09 -0.04 1.41 1.31 1hmyA1 GLY 20 H 0.14 -0.01 -0.16 -0.55 8.43 7.85 1hmyA1 GLY 20 HA2 0.15 -0.05 0.32 -0.51 4.01 3.93 1hmyA1 GLY 20 HA3 0.16 0.09 0.35 -0.51 4.01 4.11 1hmyA1 LEU 21 H 0.17 0.12 0.23 -0.55 8.37 8.34 1hmyA1 LEU 21 HA 0.25 0.14 0.54 -0.75 4.35 4.52 1hmyA1 LEU 21 HB2 0.10 -0.06 0.06 -0.04 1.64 1.69 1hmyA1 LEU 21 HB3 0.05 0.08 -0.01 -0.04 1.64 1.71 1hmyA1 LEU 21 HG -0.14 -0.08 -0.09 -0.04 1.64 1.29 1hmyA1 LEU 21 HD13 -0.75 0.01 -0.11 -0.04 0.93 0.04 1hmyA1 LEU 21 HD23 -0.14 0.01 -0.03 -0.04 0.89 0.70 1hmyA1 GLY 22 H 0.34 0.45 0.00 -0.55 8.43 8.68 1hmyA1 GLY 22 HA2 0.42 0.03 0.20 -0.51 4.01 4.16 1hmyA1 GLY 22 HA3 0.53 0.22 0.51 -0.51 4.01 4.76 1hmyA1 GLY 23 H 0.22 0.11 0.06 -0.55 8.43 8.27 1hmyA1 GLY 23 HA2 -0.05 0.17 0.26 -0.51 4.01 3.88 1hmyA1 GLY 23 HA3 -0.01 0.05 0.27 -0.51 4.01 3.82 1hmyA1 PHE 24 H 0.21 0.14 -0.04 -0.55 8.34 8.10 1hmyA1 PHE 24 HA -0.10 0.08 0.28 -0.75 4.62 4.12 1hmyA1 PHE 24 HB2 0.00 -0.02 -0.05 -0.04 3.15 3.04 1hmyA1 PHE 24 HB3 -0.13 0.07 -0.12 -0.04 3.06 2.84 1hmyA1 PHE 24 HD2 -0.27 0.00 -0.05 -0.04 7.28 6.92 1hmyA1 PHE 24 HE2 -0.87 0.04 -0.17 -0.04 7.38 6.34 1hmyA1 PHE 24 HZ -0.28 0.05 -0.32 -0.04 7.32 6.73 1hmyA1 ARG 25 H 0.20 0.04 -0.93 -0.55 8.46 7.22 1hmyA1 ARG 25 HA 0.27 0.07 0.39 -0.75 4.34 4.33 1hmyA1 ARG 25 HB2 0.09 -0.10 -0.05 -0.04 1.90 1.79 1hmyA1 ARG 25 HB3 -0.17 0.19 0.04 -0.04 1.80 1.82 1hmyA1 ARG 25 HG2 -0.34 0.05 -0.17 -0.04 1.67 1.17 1hmyA1 ARG 25 HG3 0.05 -0.04 -0.05 -0.04 1.67 1.59 1hmyA1 ARG 25 HD2 -0.27 -0.04 -0.06 -0.04 3.22 2.81 1hmyA1 ARG 25 HD3 -1.68 0.02 -0.05 -0.04 3.22 1.47 1hmyA1 LEU 26 H 0.15 0.45 0.03 -0.55 8.37 8.45 1hmyA1 LEU 26 HA 0.18 0.05 0.30 -0.75 4.35 4.13 1hmyA1 LEU 26 HB2 -0.03 0.04 0.20 -0.04 1.64 1.82 1hmyA1 LEU 26 HB3 -0.02 0.00 -0.05 -0.04 1.64 1.53 1hmyA1 LEU 26 HG 0.39 0.07 0.03 -0.04 1.64 2.10 1hmyA1 LEU 26 HD13 -0.16 -0.02 -0.02 -0.04 0.93 0.69 1hmyA1 LEU 26 HD23 0.26 0.00 -0.02 -0.04 0.89 1.10 1hmyA1 ALA 27 H -0.00 0.50 -0.21 -0.55 8.40 8.14 1hmyA1 ALA 27 HA -0.02 0.05 0.27 -0.75 4.34 3.89 1hmyA1 ALA 27 HB3 -0.02 -0.01 -0.11 -0.04 1.41 1.24 1hmyA1 LEU 28 H -0.03 0.47 -0.11 -0.55 8.37 8.15 1hmyA1 LEU 28 HA -0.00 0.00 0.28 -0.75 4.35 3.88 1hmyA1 LEU 28 HB2 -0.66 0.08 -0.02 -0.04 1.64 0.99 1hmyA1 LEU 28 HB3 -0.32 -0.05 -0.07 -0.04 1.64 1.16 1hmyA1 LEU 28 HG -0.28 0.15 0.02 -0.04 1.64 1.50 1hmyA1 LEU 28 HD13 -0.54 -0.01 -0.12 -0.04 0.93 0.22 1hmyA1 LEU 28 HD23 0.13 -0.03 -0.12 -0.04 0.89 0.83 1hmyA1 GLU 29 H 0.11 0.60 -0.34 -0.55 8.60 8.42 1hmyA1 GLU 29 HA 0.17 0.17 0.31 -0.75 4.29 4.19 1hmyA1 GLU 29 HB2 0.11 0.17 0.04 -0.04 2.09 2.36 1hmyA1 GLU 29 HB3 0.10 -0.04 0.00 -0.04 1.99 2.01 1hmyA1 GLU 29 HG2 0.14 0.07 -0.04 -0.04 2.34 2.46 1hmyA1 GLU 29 HG3 0.22 -0.02 -0.05 -0.04 2.34 2.44 1hmyA1 SER 30 H 0.06 0.47 -0.37 -0.55 8.46 8.07 1hmyA1 SER 30 HA 0.05 0.11 0.68 -0.75 4.49 4.58 1hmyA1 SER 30 HB2 0.02 -0.12 0.14 -0.04 3.95 3.96 1hmyA1 SER 30 HB3 0.03 0.01 0.09 -0.04 3.93 4.02 1hmyA1 CYS 31 H 0.06 0.35 -0.31 -0.55 8.50 8.05 1hmyA1 CYS 31 HA 0.08 0.11 0.66 -0.75 4.58 4.68 1hmyA1 CYS 31 HB2 0.05 0.10 0.03 -0.04 2.97 3.11 1hmyA1 CYS 31 HB3 0.05 -0.08 -0.02 -0.04 2.97 2.88 1hmyA1 GLY 32 H 0.07 0.27 -0.53 -0.55 8.43 7.69 1hmyA1 GLY 32 HA2 0.06 0.04 0.23 -0.51 4.01 3.83 1hmyA1 GLY 32 HA3 0.05 0.06 0.53 -0.51 4.01 4.14 1hmyA1 ALA 33 H 0.11 0.11 -0.26 -0.55 8.40 7.82 1hmyA1 ALA 33 HA 0.14 0.24 0.42 -0.75 4.34 4.38 1hmyA1 ALA 33 HB3 0.30 -0.05 -0.07 -0.04 1.41 1.55 1hmyA1 GLU 34 H 0.16 0.45 0.31 -0.55 8.60 8.98 1hmyA1 GLU 34 HA 0.00 0.14 0.86 -0.75 4.29 4.54 1hmyA1 GLU 34 HB2 0.03 0.06 -0.07 -0.04 2.09 2.06 1hmyA1 GLU 34 HB3 0.01 -0.01 0.08 -0.04 1.99 2.02 1hmyA1 GLU 34 HG2 -0.06 0.04 -0.19 -0.04 2.34 2.09 1hmyA1 GLU 34 HG3 -0.01 0.01 0.02 -0.04 2.34 2.32 1hmyA1 CYS 35 H -0.19 0.19 0.13 -0.55 8.50 8.08 1hmyA1 CYS 35 HA -0.94 0.17 1.00 -0.75 4.58 4.06 1hmyA1 CYS 35 HB2 -0.47 -0.00 0.02 -0.04 2.97 2.48 1hmyA1 CYS 35 HB3 -0.24 0.03 0.09 -0.04 2.97 2.81 1hmyA1 VAL 36 H -0.30 0.53 0.41 -0.55 8.24 8.34 1hmyA1 VAL 36 HA -0.06 0.18 0.80 -0.75 4.13 4.30 1hmyA1 VAL 36 HB -0.06 -0.04 0.03 -0.04 2.12 2.01 1hmyA1 VAL 36 HG13 -0.01 0.05 -0.28 -0.04 0.97 0.70 1hmyA1 VAL 36 HG23 -0.01 0.01 0.06 -0.04 0.95 0.97 1hmyA1 TYR 37 H -0.08 0.19 0.23 -0.55 8.29 8.08 1hmyA1 TYR 37 HA -0.08 0.14 0.49 -0.75 4.56 4.36 1hmyA1 TYR 37 HB2 -0.10 0.22 -0.24 -0.04 3.06 2.90 1hmyA1 TYR 37 HB3 -0.14 -0.13 -0.07 -0.04 2.98 2.60 1hmyA1 TYR 37 HD2 -0.11 0.03 -0.03 -0.04 7.15 7.00 1hmyA1 TYR 37 HE2 -0.10 -0.02 -0.06 -0.04 6.85 6.63 1hmyA1 SER 38 H -1.06 0.32 0.16 -0.55 8.46 7.33 1hmyA1 SER 38 HA -0.32 0.19 0.50 -0.75 4.49 4.10 1hmyA1 SER 38 HB2 -0.38 -0.02 0.01 -0.04 3.95 3.51 1hmyA1 SER 38 HB3 -0.11 0.12 -0.01 -0.04 3.93 3.90 1hmyA1 ASN 39 H -0.30 0.47 0.25 -0.55 8.53 8.40 1hmyA1 ASN 39 HA -0.32 0.20 0.72 -0.75 4.76 4.61 1hmyA1 ASN 39 HB2 -0.39 0.12 -0.26 -0.04 2.88 2.30 1hmyA1 ASN 39 HB3 -0.31 -0.15 0.07 -0.04 2.79 2.36 1hmyA1 ASN 39 HD21 -0.13 0.21 -0.16 -0.04 7.03 6.91 1hmyA1 ASN 39 HD22 -0.04 0.04 -0.10 -0.04 7.74 7.60 1hmyA1 GLU 40 H -0.13 0.63 -0.03 -0.55 8.60 8.52 1hmyA1 GLU 40 HA -0.02 -0.07 0.46 -0.75 4.29 3.90 1hmyA1 GLU 40 HB2 -0.05 0.06 -0.01 -0.04 2.09 2.06 1hmyA1 GLU 40 HB3 -0.12 0.13 -0.16 -0.04 1.99 1.79 1hmyA1 GLU 40 HG2 0.08 0.19 -0.06 -0.04 2.34 2.51 1hmyA1 GLU 40 HG3 0.09 -0.02 -0.26 -0.04 2.34 2.10 1hmyA1 TRP 41 H 0.24 0.09 0.11 -0.55 7.97 7.87 1hmyA1 TRP 41 HA -0.03 0.37 0.82 -0.75 4.62 5.02 1hmyA1 TRP 41 HB2 -0.01 0.06 0.17 -0.04 3.23 3.42 1hmyA1 TRP 41 HB3 -0.02 -0.12 0.10 -0.04 3.23 3.15 1hmyA1 TRP 41 HD1 0.05 -0.13 0.09 -0.04 7.22 7.19 1hmyA1 TRP 41 HE1 0.07 0.05 0.02 -0.04 10.20 10.31 1hmyA1 TRP 41 HE3 0.01 -0.03 0.07 -0.04 7.59 7.59 1hmyA1 TRP 41 HZ2 0.05 0.04 0.02 -0.04 7.44 7.51 1hmyA1 TRP 41 HZ3 0.02 0.05 0.02 -0.04 7.13 7.18 1hmyA1 TRP 41 HH2 0.03 0.06 0.01 -0.04 7.19 7.25 1hmyA1 ASP 42 H 0.35 0.08 -0.04 -0.55 8.40 8.24 1hmyA1 ASP 42 HA -0.06 0.13 0.52 -0.75 4.63 4.47 1hmyA1 ASP 42 HB2 0.20 0.05 0.15 -0.04 2.71 3.07 1hmyA1 ASP 42 HB3 0.15 -0.08 0.23 -0.04 2.70 2.95 1hmyA1 LYS 43 H -0.07 0.30 0.31 -0.55 8.42 8.40 1hmyA1 LYS 43 HA -0.06 0.10 0.17 -0.75 4.32 3.78 1hmyA1 LYS 43 HB2 -0.30 -0.04 0.11 -0.04 1.87 1.60 1hmyA1 LYS 43 HB3 -0.27 0.05 0.05 -0.04 1.79 1.58 1hmyA1 LYS 43 HG2 -0.07 0.05 0.07 -0.04 1.46 1.47 1hmyA1 LYS 43 HG3 -0.09 0.05 0.17 -0.04 1.46 1.55 1hmyA1 LYS 43 HD2 -0.14 -0.02 0.04 -0.04 1.69 1.53 1hmyA1 LYS 43 HD3 -0.11 0.03 0.02 -0.04 1.68 1.58 1hmyA1 LYS 43 HE2 -0.05 0.03 0.02 -0.04 2.99 2.96 1hmyA1 LYS 43 HE3 -0.07 -0.01 0.06 -0.04 2.99 2.93 1hmyA1 TYR 44 H 0.11 0.01 -0.52 -0.55 8.29 7.34 1hmyA1 TYR 44 HA 0.08 0.17 0.62 -0.75 4.56 4.68 1hmyA1 TYR 44 HB2 -0.08 -0.02 0.01 -0.04 3.06 2.93 1hmyA1 TYR 44 HB3 -0.23 -0.00 -0.01 -0.04 2.98 2.70 1hmyA1 TYR 44 HD2 -0.01 -0.02 -0.01 -0.04 7.15 7.06 1hmyA1 TYR 44 HE2 -0.01 0.03 -0.02 -0.04 6.85 6.81 1hmyA1 ALA 45 H 0.15 0.37 0.10 -0.55 8.40 8.47 1hmyA1 ALA 45 HA 0.13 0.05 0.50 -0.75 4.34 4.27 1hmyA1 ALA 45 HB3 0.13 0.05 0.09 -0.04 1.41 1.64 1hmyA1 GLN 46 H 0.08 0.31 -0.28 -0.55 8.47 8.02 1hmyA1 GLN 46 HA 0.06 0.06 0.14 -0.75 4.36 3.86 1hmyA1 GLN 46 HB2 0.01 0.07 -0.16 -0.04 2.15 2.03 1hmyA1 GLN 46 HB3 0.00 0.06 -0.04 -0.04 2.02 2.00 1hmyA1 GLN 46 HG2 -0.01 0.12 -0.09 -0.04 2.40 2.38 1hmyA1 GLN 46 HG3 0.04 -0.16 -0.48 -0.04 2.39 1.75 1hmyA1 GLN 46 HE21 0.04 -0.11 -0.08 -0.04 6.97 6.78 1hmyA1 GLN 46 HE22 0.05 0.46 0.14 -0.04 7.69 8.30 1hmyA1 GLU 47 H 0.08 0.09 -0.86 -0.55 8.60 7.36 1hmyA1 GLU 47 HA 0.04 0.07 0.47 -0.75 4.29 4.12 1hmyA1 GLU 47 HB2 0.03 0.20 0.21 -0.04 2.09 2.49 1hmyA1 GLU 47 HB3 0.20 0.13 0.16 -0.04 1.99 2.44 1hmyA1 GLU 47 HG2 -0.01 -0.01 -0.08 -0.04 2.34 2.20 1hmyA1 GLU 47 HG3 -0.00 0.01 0.04 -0.04 2.34 2.35 1hmyA1 VAL 48 H 0.16 0.40 -0.01 -0.55 8.24 8.23 1hmyA1 VAL 48 HA -0.00 0.08 0.45 -0.75 4.13 3.90 1hmyA1 VAL 48 HB 0.12 0.03 0.12 -0.04 2.12 2.35 1hmyA1 VAL 48 HG13 -0.05 0.00 -0.04 -0.04 0.97 0.85 1hmyA1 VAL 48 HG23 0.18 0.02 0.05 -0.04 0.95 1.16 1hmyA1 TYR 49 H 0.25 0.72 -0.00 -0.55 8.29 8.70 1hmyA1 TYR 49 HA 0.10 0.02 0.32 -0.75 4.56 4.26 1hmyA1 TYR 49 HB2 0.14 0.05 -0.05 -0.04 3.06 3.15 1hmyA1 TYR 49 HB3 0.10 0.10 -0.01 -0.04 2.98 3.13 1hmyA1 TYR 49 HD2 0.22 0.23 -0.33 -0.04 7.15 7.22 1hmyA1 TYR 49 HE2 0.14 -0.04 -0.18 -0.04 6.85 6.73 1hmyA1 GLU 50 H 0.17 0.33 -0.55 -0.55 8.60 8.01 1hmyA1 GLU 50 HA 0.17 0.15 0.16 -0.75 4.29 4.02 1hmyA1 GLU 50 HB2 0.10 0.05 -0.15 -0.04 2.09 2.05 1hmyA1 GLU 50 HB3 0.05 0.05 -0.05 -0.04 1.99 2.00 1hmyA1 GLU 50 HG2 0.04 -0.01 -0.29 -0.04 2.34 2.03 1hmyA1 GLU 50 HG3 0.07 -0.02 -0.55 -0.04 2.34 1.80 1hmyA1 MET 51 H -0.02 0.28 -0.28 -0.55 8.47 7.90 1hmyA1 MET 51 HA -0.06 0.02 0.46 -0.75 4.52 4.19 1hmyA1 MET 51 HB2 -0.15 0.13 0.13 -0.04 2.15 2.22 1hmyA1 MET 51 HB3 -0.12 -0.07 0.04 -0.04 2.03 1.85 1hmyA1 MET 51 HG2 -0.06 -0.07 0.03 -0.04 2.63 2.49 1hmyA1 MET 51 HG3 -0.05 0.35 0.12 -0.04 2.56 2.95 1hmyA1 MET 51 HE3 -0.09 -0.01 -0.02 -0.04 2.10 1.94 1hmyA1 ASN 52 H -0.25 0.33 -0.29 -0.55 8.53 7.77 1hmyA1 ASN 52 HA -0.26 0.18 0.91 -0.75 4.76 4.82 1hmyA1 ASN 52 HB2 -0.89 0.04 0.13 -0.04 2.88 2.12 1hmyA1 ASN 52 HB3 -0.78 -0.03 -0.02 -0.04 2.79 1.92 1hmyA1 ASN 52 HD21 -0.94 0.31 0.03 -0.04 7.03 6.39 1hmyA1 ASN 52 HD22 -0.64 0.16 -0.01 -0.04 7.74 7.21 1hmyA1 PHE 53 H -0.30 0.56 0.15 -0.55 8.34 8.20 1hmyA1 PHE 53 HA -0.04 0.15 0.72 -0.75 4.62 4.69 1hmyA1 PHE 53 HB2 -0.23 0.19 0.09 -0.04 3.15 3.16 1hmyA1 PHE 53 HB3 -0.05 -0.07 0.16 -0.04 3.06 3.07 1hmyA1 PHE 53 HD2 -0.90 0.04 -0.03 -0.04 7.28 6.34 1hmyA1 PHE 53 HE2 -0.09 -0.01 -0.01 -0.04 7.38 7.23 1hmyA1 PHE 53 HZ 0.08 -0.00 -0.01 -0.04 7.32 7.35 1hmyA1 GLY 54 H 0.02 0.18 -0.67 -0.55 8.43 7.41 1hmyA1 GLY 54 HA2 0.04 0.11 0.30 -0.51 4.01 3.95 1hmyA1 GLY 54 HA3 0.06 -0.02 0.20 -0.51 4.01 3.75 1hmyA1 GLU 55 H 0.21 0.30 -0.64 -0.55 8.60 7.92 1hmyA1 GLU 55 HA 0.08 0.18 0.94 -0.75 4.29 4.74 1hmyA1 GLU 55 HB2 0.15 0.06 -0.04 -0.04 2.09 2.21 1hmyA1 GLU 55 HB3 0.08 -0.02 -0.15 -0.04 1.99 1.87 1hmyA1 GLU 55 HG2 0.06 0.03 -0.18 -0.04 2.34 2.21 1hmyA1 GLU 55 HG3 0.05 -0.01 -0.06 -0.04 2.34 2.28 1hmyA1 LYS 56 H 0.04 0.16 0.07 -0.55 8.42 8.14 1hmyA1 LYS 56 HA 0.04 0.19 0.75 -0.75 4.32 4.55 1hmyA1 LYS 56 HB2 0.03 -0.00 -0.04 -0.04 1.87 1.82 1hmyA1 LYS 56 HB3 0.00 -0.04 0.09 -0.04 1.79 1.81 1hmyA1 LYS 56 HG2 -0.02 0.18 -0.13 -0.04 1.46 1.45 1hmyA1 LYS 56 HG3 0.00 -0.00 -0.02 -0.04 1.46 1.39 1hmyA1 LYS 56 HD2 -0.00 -0.02 -0.04 -0.04 1.69 1.58 1hmyA1 LYS 56 HD3 -0.01 -0.07 -0.07 -0.04 1.68 1.49 1hmyA1 LYS 56 HE2 -0.01 -0.06 -0.10 -0.04 2.99 2.78 1hmyA1 LYS 56 HE3 0.01 0.08 -0.09 -0.04 2.99 2.95 1hmyA1 PRO 57 HA -0.25 0.09 0.31 -0.51 4.44 4.07 1hmyA1 PRO 57 HB2 -0.29 -0.13 -0.27 -0.04 2.28 1.55 1hmyA1 PRO 57 HB3 -0.57 -0.03 -0.22 -0.04 2.02 1.16 1hmyA1 PRO 57 HG2 -0.15 0.12 -0.03 -0.04 2.03 1.93 1hmyA1 PRO 57 HG3 -0.37 -0.06 -0.12 -0.04 2.03 1.44 1hmyA1 PRO 57 HD2 -0.09 0.10 0.19 -0.04 3.68 3.84 1hmyA1 PRO 57 HD3 -0.51 0.18 -0.01 -0.04 3.65 3.27 1hmyA1 GLU 58 H -0.31 0.53 0.29 -0.55 8.60 8.57 1hmyA1 GLU 58 HA -0.05 0.15 0.57 -0.75 4.29 4.21 1hmyA1 GLU 58 HB2 -0.06 0.08 0.19 -0.04 2.09 2.25 1hmyA1 GLU 58 HB3 -0.07 -0.03 0.10 -0.04 1.99 1.95 1hmyA1 GLU 58 HG2 0.01 -0.33 0.15 -0.04 2.34 2.13 1hmyA1 GLU 58 HG3 0.02 0.06 0.09 -0.04 2.34 2.48 1hmyA1 GLY 59 H -0.01 0.16 0.06 -0.55 8.43 8.09 1hmyA1 GLY 59 HA2 0.02 0.17 0.67 -0.51 4.01 4.37 1hmyA1 GLY 59 HA3 0.04 0.05 0.23 -0.51 4.01 3.82 1hmyA1 ASP 60 H 0.13 0.15 0.07 -0.55 8.40 8.21 1hmyA1 ASP 60 HA -0.32 -0.11 0.36 -0.75 4.63 3.80 1hmyA1 ASP 60 HB2 0.24 0.04 0.15 -0.04 2.71 3.11 1hmyA1 ASP 60 HB3 0.05 0.08 0.10 -0.04 2.70 2.88 1hmyA1 ILE 61 H -0.35 0.03 0.04 -0.55 8.25 7.43 1hmyA1 ILE 61 HA -0.15 0.16 0.46 -0.75 4.18 3.90 1hmyA1 ILE 61 HB -0.48 -0.05 0.09 -0.04 1.89 1.41 1hmyA1 ILE 61 HG12 -0.26 -0.01 -0.07 -0.04 1.49 1.11 1hmyA1 ILE 61 HG13 -0.13 0.08 -0.22 -0.04 1.21 0.90 1hmyA1 ILE 61 HG23 -0.28 -0.00 0.04 -0.04 0.93 0.65 1hmyA1 ILE 61 HD13 -0.21 0.02 -0.02 -0.04 0.88 0.63 1hmyA1 THR 62 H -0.19 -0.02 -0.23 -0.55 8.28 7.28 1hmyA1 THR 62 HA -0.03 0.07 0.23 -0.75 4.39 3.90 1hmyA1 THR 62 HB -0.06 -0.01 -0.05 -0.04 4.32 4.16 1hmyA1 THR 62 HG23 -0.01 0.02 -0.02 -0.04 1.22 1.17 1hmyA1 GLN 63 H -0.05 0.35 -0.64 -0.55 8.47 7.58 1hmyA1 GLN 63 HA -0.00 0.18 0.80 -0.75 4.36 4.59 1hmyA1 GLN 63 HB2 -0.00 0.10 -0.03 -0.04 2.15 2.18 1hmyA1 GLN 63 HB3 0.01 -0.02 0.04 -0.04 2.02 2.00 1hmyA1 GLN 63 HG2 0.00 -0.15 -0.15 -0.04 2.40 2.06 1hmyA1 GLN 63 HG3 0.03 -0.03 -0.05 -0.04 2.39 2.30 1hmyA1 GLN 63 HE21 0.02 0.02 -0.10 -0.04 6.97 6.87 1hmyA1 GLN 63 HE22 0.01 -0.12 -0.21 -0.04 7.69 7.34 1hmyA1 VAL 64 H -0.04 0.28 0.00 -0.55 8.24 7.94 1hmyA1 VAL 64 HA -0.01 0.02 0.56 -0.75 4.13 3.94 1hmyA1 VAL 64 HB -0.02 0.01 0.06 -0.04 2.12 2.12 1hmyA1 VAL 64 HG13 -0.02 0.03 -0.10 -0.04 0.97 0.85 1hmyA1 VAL 64 HG23 0.01 -0.01 -0.01 -0.04 0.95 0.90 1hmyA1 ASN 65 H -0.02 0.10 0.15 -0.55 8.53 8.22 1hmyA1 ASN 65 HA -0.01 0.10 0.56 -0.75 4.76 4.66 1hmyA1 ASN 65 HB2 -0.01 0.07 0.09 -0.04 2.88 2.99 1hmyA1 ASN 65 HB3 -0.02 -0.01 0.07 -0.04 2.79 2.78 1hmyA1 ASN 65 HD21 -0.00 0.00 0.00 -0.04 7.03 6.99 1hmyA1 ASN 65 HD22 -0.00 0.04 0.01 -0.04 7.74 7.75 1hmyA1 GLU 66 H -0.02 0.16 0.12 -0.55 8.60 8.32 1hmyA1 GLU 66 HA -0.06 0.09 0.31 -0.75 4.29 3.88 1hmyA1 GLU 66 HB2 -0.03 0.14 -0.01 -0.04 2.09 2.15 1hmyA1 GLU 66 HB3 -0.04 0.03 -0.02 -0.04 1.99 1.91 1hmyA1 GLU 66 HG2 -0.01 -0.13 0.15 -0.04 2.34 2.30 1hmyA1 GLU 66 HG3 -0.02 0.01 0.07 -0.04 2.34 2.36 1hmyA1 LYS 67 H -0.03 0.04 -0.09 -0.55 8.42 7.79 1hmyA1 LYS 67 HA -0.03 0.21 0.20 -0.75 4.32 3.95 1hmyA1 LYS 67 HB2 -0.02 0.05 0.14 -0.04 1.87 2.00 1hmyA1 LYS 67 HB3 -0.02 -0.02 0.10 -0.04 1.79 1.81 1hmyA1 LYS 67 HG2 -0.02 -0.10 -0.09 -0.04 1.46 1.21 1hmyA1 LYS 67 HG3 -0.02 0.04 -0.18 -0.04 1.46 1.26 1hmyA1 LYS 67 HD2 -0.01 0.02 0.00 -0.04 1.69 1.66 1hmyA1 LYS 67 HD3 -0.01 -0.02 0.01 -0.04 1.68 1.62 1hmyA1 LYS 67 HE2 -0.01 -0.03 -0.04 -0.04 2.99 2.87 1hmyA1 LYS 67 HE3 -0.01 0.01 -0.04 -0.04 2.99 2.91 1hmyA1 THR 68 H -0.06 0.30 -1.09 -0.55 8.28 6.89 1hmyA1 THR 68 HA -0.05 0.12 0.65 -0.75 4.39 4.35 1hmyA1 THR 68 HB -0.07 0.17 0.02 -0.04 4.32 4.40 1hmyA1 THR 68 HG23 -0.05 -0.03 0.04 -0.04 1.22 1.14 1hmyA1 ILE 69 H -0.11 0.52 0.06 -0.55 8.25 8.17 1hmyA1 ILE 69 HA -0.36 0.04 0.54 -0.75 4.18 3.65 1hmyA1 ILE 69 HB -0.13 0.16 0.14 -0.04 1.89 2.01 1hmyA1 ILE 69 HG12 -0.84 -0.06 -0.04 -0.04 1.49 0.51 1hmyA1 ILE 69 HG13 -0.29 -0.03 -0.10 -0.04 1.21 0.75 1hmyA1 ILE 69 HG23 -0.21 0.01 -0.16 -0.04 0.93 0.53 1hmyA1 ILE 69 HD13 -0.14 -0.03 -0.09 -0.04 0.88 0.58 1hmyA1 PRO 70 HA -0.04 0.02 0.40 -0.51 4.44 4.31 1hmyA1 PRO 70 HB2 -0.03 -0.01 -0.10 -0.04 2.28 2.11 1hmyA1 PRO 70 HB3 -0.02 -0.00 0.11 -0.04 2.02 2.07 1hmyA1 PRO 70 HG2 -0.07 0.19 0.10 -0.04 2.03 2.21 1hmyA1 PRO 70 HG3 -0.09 0.03 0.12 -0.04 2.03 2.05 1hmyA1 PRO 70 HD2 -0.45 -0.01 0.10 -0.04 3.68 3.28 1hmyA1 PRO 70 HD3 -0.40 0.13 0.24 -0.04 3.65 3.58 1hmyA1 ASP 71 H 0.01 0.05 0.14 -0.55 8.40 8.05 1hmyA1 ASP 71 HA 0.00 0.09 0.45 -0.75 4.63 4.41 1hmyA1 ASP 71 HB2 0.01 -0.04 0.13 -0.04 2.71 2.76 1hmyA1 ASP 71 HB3 -0.01 0.00 -0.03 -0.04 2.70 2.63 1hmyA1 HIS 72 H -0.22 0.25 0.14 -0.55 8.41 8.04 1hmyA1 HIS 72 HA 0.02 0.07 0.53 -0.75 4.63 4.50 1hmyA1 HIS 72 HB2 0.06 -0.09 -0.12 -0.04 3.26 3.07 1hmyA1 HIS 72 HB3 0.01 0.11 -0.47 -0.04 3.20 2.81 1hmyA1 HIS 72 HD2 0.06 -0.05 -0.56 -0.04 6.97 6.38 1hmyA1 HIS 72 HE1 -0.03 0.10 -0.13 -0.04 7.75 7.65 1hmyA1 ASP 73 H 0.14 0.58 0.32 -0.55 8.40 8.89 1hmyA1 ASP 73 HA 0.00 0.03 0.98 -0.75 4.63 4.88 1hmyA1 ASP 73 HB2 0.09 0.07 0.28 -0.04 2.71 3.11 1hmyA1 ASP 73 HB3 0.05 0.02 0.17 -0.04 2.70 2.90 1hmyA1 ILE 74 H 0.23 0.36 0.34 -0.55 8.25 8.62 1hmyA1 ILE 74 HA 0.12 0.31 1.13 -0.75 4.18 4.99 1hmyA1 ILE 74 HB 0.18 -0.06 0.03 -0.04 1.89 1.99 1hmyA1 ILE 74 HG12 0.05 0.08 -0.13 -0.04 1.49 1.45 1hmyA1 ILE 74 HG13 0.10 -0.07 -0.25 -0.04 1.21 0.94 1hmyA1 ILE 74 HG23 0.10 -0.01 -0.25 -0.04 0.93 0.73 1hmyA1 ILE 74 HD13 0.02 0.01 -0.12 -0.04 0.88 0.75 1hmyA1 LEU 75 H 0.13 0.83 0.38 -0.55 8.37 9.16 1hmyA1 LEU 75 HA 0.11 0.09 1.02 -0.75 4.35 4.81 1hmyA1 LEU 75 HB2 0.26 0.09 -0.04 -0.04 1.64 1.90 1hmyA1 LEU 75 HB3 0.09 0.01 0.22 -0.04 1.64 1.92 1hmyA1 LEU 75 HG 0.03 -0.11 -0.15 -0.04 1.64 1.36 1hmyA1 LEU 75 HD13 -0.01 0.01 -0.14 -0.04 0.93 0.75 1hmyA1 LEU 75 HD23 0.06 0.03 -0.13 -0.04 0.89 0.81 1hmyA1 CYS 76 H 0.01 0.56 0.31 -0.55 8.50 8.83 1hmyA1 CYS 76 HA -0.37 0.29 0.92 -0.75 4.58 4.66 1hmyA1 CYS 76 HB2 -0.14 0.13 0.20 -0.04 2.97 3.12 1hmyA1 CYS 76 HB3 -0.94 -0.09 -0.02 -0.04 2.97 1.89 1hmyA1 ALA 77 H -0.52 0.61 0.26 -0.55 8.40 8.20 1hmyA1 ALA 77 HA -0.01 0.15 0.55 -0.75 4.34 4.27 1hmyA1 ALA 77 HB3 0.13 0.00 -0.20 -0.04 1.41 1.30 1hmyA1 GLY 78 H 0.14 0.31 -0.05 -0.55 8.43 8.28 1hmyA1 GLY 78 HA2 0.02 0.26 0.96 -0.51 4.01 4.73 1hmyA1 GLY 78 HA3 0.13 0.01 0.39 -0.51 4.01 4.02 1hmyA1 PHE 79 H 0.17 0.11 -0.13 -0.55 8.34 7.94 1hmyA1 PHE 79 HA -1.04 0.09 0.54 -0.75 4.62 3.46 1hmyA1 PHE 79 HB2 -0.74 0.00 0.06 -0.04 3.15 2.43 1hmyA1 PHE 79 HB3 -0.89 -0.02 -0.04 -0.04 3.06 2.08 1hmyA1 PHE 79 HD2 -0.14 0.05 -0.11 -0.04 7.28 7.04 1hmyA1 PHE 79 HE2 -0.14 -0.01 -0.09 -0.04 7.38 7.10 1hmyA1 PHE 79 HZ -0.46 -0.01 -0.11 -0.04 7.32 6.70 1hmyA1 PRO 80 HA -0.25 0.11 0.81 -0.51 4.44 4.61 1hmyA1 PRO 80 HB2 -0.02 0.07 0.02 -0.04 2.28 2.31 1hmyA1 PRO 80 HB3 -0.02 0.06 0.12 -0.04 2.02 2.13 1hmyA1 PRO 80 HG2 0.01 -0.05 0.16 -0.04 2.03 2.11 1hmyA1 PRO 80 HG3 0.05 0.01 0.10 -0.04 2.03 2.15 1hmyA1 PRO 80 HD2 -0.43 0.02 0.22 -0.04 3.68 3.44 1hmyA1 PRO 80 HD3 -0.20 0.20 0.09 -0.04 3.65 3.70 1hmyA1 CYS 81 H -0.25 0.11 0.14 -0.55 8.50 7.96 1hmyA1 CYS 81 HA -0.12 0.05 0.42 -0.75 4.58 4.17 1hmyA1 CYS 81 HB2 -0.20 -0.02 0.10 -0.04 2.97 2.81 1hmyA1 CYS 81 HB3 -0.15 -0.01 0.15 -0.04 2.97 2.91 1hmyA1 GLN 82 H -0.07 0.29 0.22 -0.55 8.47 8.37 1hmyA1 GLN 82 HA -0.06 0.12 0.75 -0.75 4.36 4.41 1hmyA1 GLN 82 HB2 -0.13 -0.08 -0.01 -0.04 2.15 1.89 1hmyA1 GLN 82 HB3 -0.08 0.08 0.05 -0.04 2.02 2.03 1hmyA1 GLN 82 HG2 -0.02 0.08 -0.08 -0.04 2.40 2.34 1hmyA1 GLN 82 HG3 -0.02 0.10 -0.63 -0.04 2.39 1.80 1hmyA1 GLN 82 HE21 0.06 -0.04 0.03 -0.04 6.97 6.98 1hmyA1 GLN 82 HE22 0.04 0.06 -0.04 -0.04 7.69 7.71 1hmyA1 ALA 83 H -0.01 0.13 0.11 -0.55 8.40 8.09 1hmyA1 ALA 83 HA 0.05 0.05 0.47 -0.75 4.34 4.15 1hmyA1 ALA 83 HB3 0.09 0.02 0.02 -0.04 1.41 1.50 1hmyA1 PHE 84 H 0.12 0.11 0.13 -0.55 8.34 8.16 1hmyA1 PHE 84 HA 0.05 0.22 0.71 -0.75 4.62 4.85 1hmyA1 PHE 84 HB2 0.02 -0.06 0.03 -0.04 3.15 3.10 1hmyA1 PHE 84 HB3 0.03 0.07 -0.13 -0.04 3.06 2.99 1hmyA1 PHE 84 HD2 0.05 0.11 -0.06 -0.04 7.28 7.35 1hmyA1 PHE 84 HE2 0.12 0.01 -0.00 -0.04 7.38 7.47 1hmyA1 PHE 84 HZ -0.10 -0.06 -0.07 -0.04 7.32 7.04 1hmyA1 SER 85 H 0.15 0.30 0.01 -0.55 8.46 8.37 1hmyA1 SER 85 HA 0.06 0.13 0.79 -0.75 4.49 4.72 1hmyA1 SER 85 HB2 0.04 0.03 0.04 -0.04 3.95 4.02 1hmyA1 SER 85 HB3 0.04 -0.01 0.00 -0.04 3.93 3.92 1hmyA1 ILE 86 H 0.07 0.23 -0.12 -0.55 8.25 7.88 1hmyA1 ILE 86 HA 0.04 0.06 0.53 -0.75 4.18 4.05 1hmyA1 ILE 86 HB 0.02 0.00 0.12 -0.04 1.89 1.99 1hmyA1 ILE 86 HG12 0.01 -0.02 -0.08 -0.04 1.49 1.36 1hmyA1 ILE 86 HG13 0.09 -0.03 -0.17 -0.04 1.21 1.06 1hmyA1 ILE 86 HG23 0.01 -0.01 -0.14 -0.04 0.93 0.75 1hmyA1 ILE 86 HD13 0.00 0.01 -0.05 -0.04 0.88 0.80 1hmyA1 SER 87 H 0.03 0.22 0.03 -0.55 8.46 8.19 1hmyA1 SER 87 HA 0.02 0.14 0.72 -0.75 4.49 4.61 1hmyA1 SER 87 HB2 0.01 -0.02 0.11 -0.04 3.95 4.02 1hmyA1 SER 87 HB3 0.02 0.02 -0.06 -0.04 3.93 3.87 1hmyA1 GLY 88 H 0.01 0.31 -0.03 -0.55 8.43 8.18 1hmyA1 GLY 88 HA2 0.01 0.04 0.24 -0.51 4.01 3.80 1hmyA1 GLY 88 HA3 0.02 0.09 0.52 -0.51 4.01 4.13 1hmyA1 LYS 89 H 0.01 0.14 0.09 -0.55 8.42 8.11 1hmyA1 LYS 89 HA 0.01 0.05 0.68 -0.75 4.32 4.30 1hmyA1 LYS 89 HB2 0.01 0.03 -0.00 -0.04 1.87 1.86 1hmyA1 LYS 89 HB3 0.01 0.01 0.07 -0.04 1.79 1.83 1hmyA1 LYS 89 HG2 0.01 0.03 0.04 -0.04 1.46 1.50 1hmyA1 LYS 89 HG3 0.01 -0.05 0.13 -0.04 1.46 1.51 1hmyA1 LYS 89 HD2 0.02 0.01 0.03 -0.04 1.69 1.71 1hmyA1 LYS 89 HD3 0.02 0.01 0.12 -0.04 1.68 1.78 1hmyA1 LYS 89 HE2 0.01 0.01 -0.06 -0.04 2.99 2.90 1hmyA1 LYS 89 HE3 0.01 0.01 -0.01 -0.04 2.99 2.96 1hmyA1 GLN 90 H 0.00 0.12 0.20 -0.55 8.47 8.24 1hmyA1 GLN 90 HA -0.00 0.01 0.31 -0.75 4.36 3.93 1hmyA1 GLN 90 HB2 0.00 0.16 -0.20 -0.04 2.15 2.07 1hmyA1 GLN 90 HB3 -0.00 -0.09 0.19 -0.04 2.02 2.08 1hmyA1 GLN 90 HG2 0.00 0.04 -0.02 -0.04 2.40 2.39 1hmyA1 GLN 90 HG3 0.00 0.01 0.06 -0.04 2.39 2.42 1hmyA1 GLN 90 HE21 0.00 0.01 0.03 -0.04 6.97 6.97 1hmyA1 GLN 90 HE22 0.00 0.04 0.05 -0.04 7.69 7.74 1hmyA1 LYS 91 H -0.01 0.16 0.16 -0.55 8.42 8.18 1hmyA1 LYS 91 HA -0.02 0.22 0.95 -0.75 4.32 4.72 1hmyA1 LYS 91 HB2 -0.04 0.02 -0.07 -0.04 1.87 1.74 1hmyA1 LYS 91 HB3 -0.07 -0.06 -0.03 -0.04 1.79 1.59 1hmyA1 LYS 91 HG2 -0.03 0.04 -0.19 -0.04 1.46 1.24 1hmyA1 LYS 91 HG3 -0.02 -0.14 -0.61 -0.04 1.46 0.65 1hmyA1 LYS 91 HD2 -0.04 0.00 -0.11 -0.04 1.69 1.51 1hmyA1 LYS 91 HD3 -0.04 0.01 -0.08 -0.04 1.68 1.53 1hmyA1 LYS 91 HE2 -0.01 0.02 -0.07 -0.04 2.99 2.89 1hmyA1 LYS 91 HE3 -0.01 -0.03 -0.07 -0.04 2.99 2.83 1hmyA1 GLY 92 H -0.04 0.15 0.12 -0.55 8.43 8.11 1hmyA1 GLY 92 HA2 -0.00 0.09 0.22 -0.51 4.01 3.81 1hmyA1 GLY 92 HA3 0.04 0.22 0.57 -0.51 4.01 4.33 1hmyA1 PHE 93 H 0.18 0.28 0.06 -0.55 8.34 8.30 1hmyA1 PHE 93 HA 0.01 0.01 0.31 -0.75 4.62 4.19 1hmyA1 PHE 93 HB2 -0.03 0.11 0.12 -0.04 3.15 3.31 1hmyA1 PHE 93 HB3 -0.00 -0.01 0.05 -0.04 3.06 3.06 1hmyA1 PHE 93 HD2 -0.04 0.01 -0.15 -0.04 7.28 7.05 1hmyA1 PHE 93 HE2 -0.10 0.03 -0.15 -0.04 7.38 7.12 1hmyA1 PHE 93 HZ -0.25 0.04 -0.10 -0.04 7.32 6.97 1hmyA1 GLU 94 H 0.23 0.13 -0.26 -0.55 8.60 8.15 1hmyA1 GLU 94 HA 0.18 0.06 0.37 -0.75 4.29 4.15 1hmyA1 GLU 94 HB2 0.09 0.03 -0.05 -0.04 2.09 2.13 1hmyA1 GLU 94 HB3 0.10 0.03 0.04 -0.04 1.99 2.12 1hmyA1 GLU 94 HG2 0.21 -0.07 -0.01 -0.04 2.34 2.43 1hmyA1 GLU 94 HG3 0.10 0.04 -0.03 -0.04 2.34 2.41 1hmyA1 ASP 95 H 0.03 0.70 -0.11 -0.55 8.40 8.47 1hmyA1 ASP 95 HA 0.05 0.21 0.71 -0.75 4.63 4.85 1hmyA1 ASP 95 HB2 -0.09 -0.02 0.00 -0.04 2.71 2.57 1hmyA1 ASP 95 HB3 0.03 -0.05 -0.03 -0.04 2.70 2.61 1hmyA1 SER 96 H 0.01 0.48 -0.24 -0.55 8.46 8.16 1hmyA1 SER 96 HA 0.52 0.06 0.37 -0.75 4.49 4.69 1hmyA1 SER 96 HB2 0.51 -0.19 -0.00 -0.04 3.95 4.22 1hmyA1 SER 96 HB3 0.13 -0.00 -0.07 -0.04 3.93 3.95 1hmyA1 ARG 97 H 0.04 0.23 -0.73 -0.55 8.46 7.45 1hmyA1 ARG 97 HA -0.60 -0.04 0.53 -0.75 4.34 3.48 1hmyA1 ARG 97 HB2 -0.09 0.14 0.13 -0.04 1.90 2.03 1hmyA1 ARG 97 HB3 -0.30 -0.01 -0.02 -0.04 1.80 1.42 1hmyA1 ARG 97 HG2 -0.56 -0.06 -0.04 -0.04 1.67 0.96 1hmyA1 ARG 97 HG3 -0.01 0.12 0.04 -0.04 1.67 1.79 1hmyA1 ARG 97 HD2 -0.04 0.04 0.04 -0.04 3.22 3.22 1hmyA1 ARG 97 HD3 -0.26 -0.02 -0.00 -0.04 3.22 2.89 1hmyA1 GLY 98 H -0.26 0.17 0.24 -0.55 8.43 8.03 1hmyA1 GLY 98 HA2 -0.09 -0.00 0.35 -0.51 4.01 3.76 1hmyA1 GLY 98 HA3 -0.04 0.24 0.90 -0.51 4.01 4.61 1hmyA1 THR 99 H 0.07 0.31 0.02 -0.55 8.28 8.14 1hmyA1 THR 99 HA 0.03 0.25 0.88 -0.75 4.39 4.80 1hmyA1 THR 99 HB 0.02 -0.06 0.13 -0.04 4.32 4.36 1hmyA1 THR 99 HG23 -0.13 0.06 -0.25 -0.04 1.22 0.86 1hmyA1 LEU 100 H 0.11 0.25 0.15 -0.55 8.37 8.34 1hmyA1 LEU 100 HA 0.14 0.17 0.66 -0.75 4.35 4.56 1hmyA1 LEU 100 HB2 0.15 0.09 0.15 -0.04 1.64 2.00 1hmyA1 LEU 100 HB3 0.31 -0.00 0.11 -0.04 1.64 2.02 1hmyA1 LEU 100 HG 0.07 0.04 0.01 -0.04 1.64 1.72 1hmyA1 LEU 100 HD13 0.18 0.01 0.06 -0.04 0.93 1.13 1hmyA1 LEU 100 HD23 0.02 0.00 0.02 -0.04 0.89 0.89 1hmyA1 PHE 101 H 0.28 0.10 -0.23 -0.55 8.34 7.93 1hmyA1 PHE 101 HA -0.29 0.12 0.42 -0.75 4.62 4.12 1hmyA1 PHE 101 HB2 0.05 0.04 0.04 -0.04 3.15 3.23 1hmyA1 PHE 101 HB3 0.24 0.03 0.02 -0.04 3.06 3.31 1hmyA1 PHE 101 HD2 -0.33 -0.00 -0.08 -0.04 7.28 6.83 1hmyA1 PHE 101 HE2 -0.16 0.05 -0.11 -0.04 7.38 7.12 1hmyA1 PHE 101 HZ -0.07 0.14 -0.02 -0.04 7.32 7.33 1hmyA1 PHE 102 H 0.28 0.23 -0.15 -0.55 8.34 8.15 1hmyA1 PHE 102 HA -0.41 0.03 0.36 -0.75 4.62 3.85 1hmyA1 PHE 102 HB2 -0.07 0.51 -0.09 -0.04 3.15 3.45 1hmyA1 PHE 102 HB3 -0.06 0.11 0.08 -0.04 3.06 3.15 1hmyA1 PHE 102 HD2 -0.24 0.01 -0.30 -0.04 7.28 6.70 1hmyA1 PHE 102 HE2 -0.16 0.04 -0.08 -0.04 7.38 7.14 1hmyA1 PHE 102 HZ -0.01 0.04 -0.05 -0.04 7.32 7.26 1hmyA1 ASP 103 H 0.10 0.12 -0.80 -0.55 8.40 7.27 1hmyA1 ASP 103 HA -0.05 0.09 0.33 -0.75 4.63 4.24 1hmyA1 ASP 103 HB2 0.11 0.23 0.04 -0.04 2.71 3.04 1hmyA1 ASP 103 HB3 -0.01 0.01 -0.06 -0.04 2.70 2.60 1hmyA1 ILE 104 H -0.23 0.41 -0.34 -0.55 8.25 7.55 1hmyA1 ILE 104 HA -0.09 0.09 0.49 -0.75 4.18 3.91 1hmyA1 ILE 104 HB -0.48 0.14 0.19 -0.04 1.89 1.70 1hmyA1 ILE 104 HG12 -0.12 -0.04 -0.05 -0.04 1.49 1.24 1hmyA1 ILE 104 HG13 0.07 0.02 -0.06 -0.04 1.21 1.20 1hmyA1 ILE 104 HG23 -0.16 0.01 -0.22 -0.04 0.93 0.52 1hmyA1 ILE 104 HD13 0.19 -0.06 -0.05 -0.04 0.88 0.92 1hmyA1 ALA 105 H -0.68 0.37 -0.01 -0.55 8.40 7.54 1hmyA1 ALA 105 HA -0.27 0.06 0.28 -0.75 4.34 3.66 1hmyA1 ALA 105 HB3 -0.51 0.01 0.04 -0.04 1.41 0.91 1hmyA1 ARG 106 H -0.52 0.66 -0.16 -0.55 8.46 7.90 1hmyA1 ARG 106 HA -0.18 -0.01 0.36 -0.75 4.34 3.76 1hmyA1 ARG 106 HB2 -0.68 -0.01 0.05 -0.04 1.90 1.22 1hmyA1 ARG 106 HB3 -0.25 0.06 0.04 -0.04 1.80 1.61 1hmyA1 ARG 106 HG2 -0.08 0.02 -0.21 -0.04 1.67 1.36 1hmyA1 ARG 106 HG3 -0.08 -0.05 0.01 -0.04 1.67 1.51 1hmyA1 ARG 106 HD2 0.05 -0.03 -0.03 -0.04 3.22 3.16 1hmyA1 ARG 106 HD3 0.12 -0.05 -0.07 -0.04 3.22 3.18 1hmyA1 ILE 107 H -0.15 0.33 -0.51 -0.55 8.25 7.38 1hmyA1 ILE 107 HA -0.05 0.04 0.50 -0.75 4.18 3.92 1hmyA1 ILE 107 HB -0.06 0.09 0.08 -0.04 1.89 1.96 1hmyA1 ILE 107 HG12 -0.06 -0.05 -0.05 -0.04 1.49 1.29 1hmyA1 ILE 107 HG13 -0.08 0.06 -0.01 -0.04 1.21 1.15 1hmyA1 ILE 107 HG23 -0.00 -0.00 -0.10 -0.04 0.93 0.78 1hmyA1 ILE 107 HD13 -0.07 -0.03 -0.04 -0.04 0.88 0.69 1hmyA1 VAL 108 H -0.10 0.31 -0.14 -0.55 8.24 7.76 1hmyA1 VAL 108 HA -0.02 0.19 0.51 -0.75 4.13 4.05 1hmyA1 VAL 108 HB -0.15 -0.05 0.06 -0.04 2.12 1.95 1hmyA1 VAL 108 HG13 -0.24 0.01 -0.20 -0.04 0.97 0.49 1hmyA1 VAL 108 HG23 -0.11 -0.01 -0.11 -0.04 0.95 0.67 1hmyA1 ARG 109 H -0.05 0.51 -0.04 -0.55 8.46 8.33 1hmyA1 ARG 109 HA -0.01 0.11 0.42 -0.75 4.34 4.10 1hmyA1 ARG 109 HB2 -0.07 -0.06 0.07 -0.04 1.90 1.80 1hmyA1 ARG 109 HB3 -0.04 0.07 0.10 -0.04 1.80 1.89 1hmyA1 ARG 109 HG2 -0.07 -0.00 -0.17 -0.04 1.67 1.39 1hmyA1 ARG 109 HG3 -0.09 0.01 0.04 -0.04 1.67 1.60 1hmyA1 ARG 109 HD2 -0.31 -0.01 -0.01 -0.04 3.22 2.86 1hmyA1 ARG 109 HD3 -0.25 -0.03 -0.04 -0.04 3.22 2.85 1hmyA1 GLU 110 H -0.03 0.15 -0.58 -0.55 8.60 7.60 1hmyA1 GLU 110 HA -0.02 0.24 0.90 -0.75 4.29 4.66 1hmyA1 GLU 110 HB2 -0.03 0.02 -0.02 -0.04 2.09 2.02 1hmyA1 GLU 110 HB3 -0.02 -0.03 0.02 -0.04 1.99 1.92 1hmyA1 GLU 110 HG2 -0.02 0.07 -0.01 -0.04 2.34 2.34 1hmyA1 GLU 110 HG3 -0.02 -0.07 -0.04 -0.04 2.34 2.17 1hmyA1 LYS 111 H -0.01 0.42 -0.35 -0.55 8.42 7.93 1hmyA1 LYS 111 HA -0.03 -0.02 0.67 -0.75 4.32 4.19 1hmyA1 LYS 111 HB2 0.00 0.04 -0.28 -0.04 1.87 1.59 1hmyA1 LYS 111 HB3 0.06 0.17 0.04 -0.04 1.79 2.01 1hmyA1 LYS 111 HG2 0.16 -0.01 -0.14 -0.04 1.46 1.43 1hmyA1 LYS 111 HG3 -0.05 -0.12 -0.27 -0.04 1.46 0.98 1hmyA1 LYS 111 HD2 0.03 0.03 -0.38 -0.04 1.69 1.32 1hmyA1 LYS 111 HD3 -0.02 -0.14 -0.02 -0.04 1.68 1.45 1hmyA1 LYS 111 HE2 -0.02 0.03 0.01 -0.04 2.99 2.98 1hmyA1 LYS 111 HE3 -0.02 0.07 -0.05 -0.04 2.99 2.95 1hmyA1 LYS 112 H -0.06 0.03 0.09 -0.55 8.42 7.93 1hmyA1 LYS 112 HA -0.06 -0.05 0.30 -0.75 4.32 3.76 1hmyA1 LYS 112 HB2 -0.45 0.14 0.04 -0.04 1.87 1.56 1hmyA1 LYS 112 HB3 -0.18 -0.02 0.36 -0.04 1.79 1.91 1hmyA1 LYS 112 HG2 -0.11 -0.03 0.02 -0.04 1.46 1.30 1hmyA1 LYS 112 HG3 -0.21 -0.60 0.18 -0.04 1.46 0.78 1hmyA1 LYS 112 HD2 -0.07 0.03 0.02 -0.04 1.69 1.62 1hmyA1 LYS 112 HD3 -0.06 0.02 0.08 -0.04 1.68 1.68 1hmyA1 LYS 112 HE2 -0.04 0.02 0.04 -0.04 2.99 2.97 1hmyA1 LYS 112 HE3 -0.04 -0.10 0.05 -0.04 2.99 2.85 1hmyA1 PRO 113 HA -0.11 0.08 0.49 -0.51 4.44 4.39 1hmyA1 PRO 113 HB2 -0.01 -0.02 -0.28 -0.04 2.28 1.93 1hmyA1 PRO 113 HB3 -0.46 0.06 -0.05 -0.04 2.02 1.53 1hmyA1 PRO 113 HG2 0.12 -0.07 -0.22 -0.04 2.03 1.82 1hmyA1 PRO 113 HG3 0.07 -0.02 -0.13 -0.04 2.03 1.91 1hmyA1 PRO 113 HD2 0.25 0.04 0.38 -0.04 3.68 4.31 1hmyA1 PRO 113 HD3 0.02 0.44 -0.92 -0.04 3.65 3.15 1hmyA1 LYS 114 H 0.02 0.21 0.36 -0.55 8.42 8.46 1hmyA1 LYS 114 HA 0.04 0.01 0.47 -0.75 4.32 4.09 1hmyA1 LYS 114 HB2 0.06 0.08 0.25 -0.04 1.87 2.22 1hmyA1 LYS 114 HB3 0.09 -0.02 0.13 -0.04 1.79 1.95 1hmyA1 LYS 114 HG2 0.01 -0.01 0.08 -0.04 1.46 1.50 1hmyA1 LYS 114 HG3 0.01 -0.06 0.18 -0.04 1.46 1.55 1hmyA1 LYS 114 HD2 0.04 -0.01 0.09 -0.04 1.69 1.76 1hmyA1 LYS 114 HD3 0.03 0.05 0.05 -0.04 1.68 1.77 1hmyA1 LYS 114 HE2 -0.00 -0.00 0.03 -0.04 2.99 2.98 1hmyA1 LYS 114 HE3 0.00 -0.04 0.06 -0.04 2.99 2.97 1hmyA1 VAL 115 H 0.07 0.41 0.25 -0.55 8.24 8.41 1hmyA1 VAL 115 HA 0.07 0.34 1.05 -0.75 4.13 4.84 1hmyA1 VAL 115 HB -0.48 0.09 0.08 -0.04 2.12 1.77 1hmyA1 VAL 115 HG13 -0.06 0.02 -0.19 -0.04 0.97 0.70 1hmyA1 VAL 115 HG23 -0.11 -0.04 -0.19 -0.04 0.95 0.57 1hmyA1 VAL 116 H 0.01 0.50 0.32 -0.55 8.24 8.52 1hmyA1 VAL 116 HA 0.05 0.13 0.95 -0.75 4.13 4.51 1hmyA1 VAL 116 HB -0.01 -0.07 0.16 -0.04 2.12 2.16 1hmyA1 VAL 116 HG13 0.02 -0.02 -0.15 -0.04 0.97 0.78 1hmyA1 VAL 116 HG23 -0.16 0.03 -0.11 -0.04 0.95 0.66 1hmyA1 PHE 117 H 0.14 0.92 0.29 -0.55 8.34 9.14 1hmyA1 PHE 117 HA -0.01 0.18 0.90 -0.75 4.62 4.94 1hmyA1 PHE 117 HB2 -0.08 -0.01 -0.10 -0.04 3.15 2.92 1hmyA1 PHE 117 HB3 -0.13 -0.06 0.16 -0.04 3.06 3.00 1hmyA1 PHE 117 HD2 0.05 0.09 -0.06 -0.04 7.28 7.32 1hmyA1 PHE 117 HE2 0.21 -0.01 -0.09 -0.04 7.38 7.45 1hmyA1 PHE 117 HZ 0.17 0.01 -0.08 -0.04 7.32 7.38 1hmyA1 MET 118 H 0.30 0.56 0.31 -0.55 8.47 9.09 1hmyA1 MET 118 HA 0.07 0.30 1.17 -0.75 4.52 5.31 1hmyA1 MET 118 HB2 0.21 -0.06 0.05 -0.04 2.15 2.30 1hmyA1 MET 118 HB3 0.26 -0.06 0.21 -0.04 2.03 2.40 1hmyA1 MET 118 HG2 0.11 0.04 -0.13 -0.04 2.63 2.61 1hmyA1 MET 118 HG3 0.15 -0.01 -0.27 -0.04 2.56 2.39 1hmyA1 MET 118 HE3 0.26 0.00 -0.13 -0.04 2.10 2.19 1hmyA1 GLU 119 H 0.08 0.36 0.38 -0.55 8.60 8.88 1hmyA1 GLU 119 HA -0.13 0.17 0.65 -0.75 4.29 4.23 1hmyA1 GLU 119 HB2 0.00 0.07 -0.12 -0.04 2.09 2.00 1hmyA1 GLU 119 HB3 -0.02 -0.07 -0.01 -0.04 1.99 1.84 1hmyA1 GLU 119 HG2 -0.54 0.15 0.18 -0.04 2.34 2.09 1hmyA1 GLU 119 HG3 -0.78 -0.05 0.01 -0.04 2.34 1.48 1hmyA1 ASN 120 H -0.28 0.56 0.29 -0.55 8.53 8.55 1hmyA1 ASN 120 HA -0.32 0.20 0.63 -0.75 4.76 4.51 1hmyA1 ASN 120 HB2 -0.64 0.00 -0.35 -0.04 2.88 1.84 1hmyA1 ASN 120 HB3 -0.49 -0.05 0.05 -0.04 2.79 2.26 1hmyA1 ASN 120 HD21 -1.26 -0.09 -0.27 -0.04 7.03 5.37 1hmyA1 ASN 120 HD22 -1.68 -0.01 -0.12 -0.04 7.74 5.89 1hmyA1 VAL 121 H -0.19 0.09 0.19 -0.55 8.24 7.79 1hmyA1 VAL 121 HA -0.09 0.26 0.60 -0.75 4.13 4.15 1hmyA1 VAL 121 HB -0.03 0.00 0.10 -0.04 2.12 2.15 1hmyA1 VAL 121 HG13 -0.09 0.05 0.11 -0.04 0.97 1.00 1hmyA1 VAL 121 HG23 -0.02 -0.06 -0.01 -0.04 0.95 0.82 1hmyA1 LYS 122 H -0.02 0.34 0.28 -0.55 8.42 8.46 1hmyA1 LYS 122 HA 0.01 0.01 0.14 -0.75 4.32 3.73 1hmyA1 LYS 122 HB2 0.02 -0.02 -0.01 -0.04 1.87 1.81 1hmyA1 LYS 122 HB3 0.00 0.37 0.09 -0.04 1.79 2.21 1hmyA1 LYS 122 HG2 -0.00 -0.24 0.11 -0.04 1.46 1.29 1hmyA1 LYS 122 HG3 0.01 0.01 0.00 -0.04 1.46 1.44 1hmyA1 LYS 122 HD2 -0.01 -0.00 0.07 -0.04 1.69 1.71 1hmyA1 LYS 122 HD3 -0.01 0.09 0.15 -0.04 1.68 1.87 1hmyA1 LYS 122 HE2 -0.03 -0.10 0.25 -0.04 2.99 3.06 1hmyA1 LYS 122 HE3 -0.02 -0.07 0.10 -0.04 2.99 2.96 1hmyA1 ASN 123 H 0.03 0.05 -0.46 -0.55 8.53 7.61 1hmyA1 ASN 123 HA 0.05 0.28 0.94 -0.75 4.76 5.27 1hmyA1 ASN 123 HB2 0.03 0.02 0.01 -0.04 2.88 2.91 1hmyA1 ASN 123 HB3 0.05 -0.07 0.12 -0.04 2.79 2.85 1hmyA1 ASN 123 HD21 0.02 0.06 -0.05 -0.04 7.03 7.02 1hmyA1 ASN 123 HD22 0.02 -0.00 -0.03 -0.04 7.74 7.69 1hmyA1 PHE 124 H 0.17 0.80 -0.04 -0.55 8.34 8.72 1hmyA1 PHE 124 HA -0.01 -0.02 0.29 -0.75 4.62 4.13 1hmyA1 PHE 124 HB2 -0.06 0.05 0.10 -0.04 3.15 3.20 1hmyA1 PHE 124 HB3 0.02 0.04 -0.02 -0.04 3.06 3.05 1hmyA1 PHE 124 HD2 0.00 -0.01 -0.10 -0.04 7.28 7.13 1hmyA1 PHE 124 HE2 0.08 0.01 -0.09 -0.04 7.38 7.34 1hmyA1 PHE 124 HZ 0.09 0.05 -0.10 -0.04 7.32 7.33 1hmyA1 ALA 125 H 0.12 0.15 -0.46 -0.55 8.40 7.66 1hmyA1 ALA 125 HA 0.00 0.05 0.18 -0.75 4.34 3.82 1hmyA1 ALA 125 HB3 0.07 0.03 -0.01 -0.04 1.41 1.46 1hmyA1 SER 126 H 0.02 0.55 -0.30 -0.55 8.46 8.18 1hmyA1 SER 126 HA -0.00 0.21 0.97 -0.75 4.49 4.91 1hmyA1 SER 126 HB2 0.03 0.01 0.03 -0.04 3.95 3.99 1hmyA1 SER 126 HB3 0.02 -0.02 0.07 -0.04 3.93 3.96 1hmyA1 HIS 127 H 0.07 0.38 0.03 -0.55 8.41 8.34 1hmyA1 HIS 127 HA -0.03 -0.02 0.36 -0.75 4.63 4.19 1hmyA1 HIS 127 HB2 -0.04 0.05 0.06 -0.04 3.26 3.29 1hmyA1 HIS 127 HB3 -0.15 -0.00 0.08 -0.04 3.20 3.09 1hmyA1 HIS 127 HD2 -0.01 0.01 -0.00 -0.04 6.97 6.92 1hmyA1 HIS 127 HE1 -0.03 -0.04 -0.15 -0.04 7.75 7.49 1hmyA1 ASP 128 H -0.26 0.15 0.21 -0.55 8.40 7.96 1hmyA1 ASP 128 HA -0.18 0.08 0.37 -0.75 4.63 4.16 1hmyA1 ASP 128 HB2 -0.20 0.04 -0.21 -0.04 2.71 2.30 1hmyA1 ASP 128 HB3 -0.09 0.00 0.32 -0.04 2.70 2.89 1hmyA1 ASN 129 H -0.05 0.24 0.08 -0.55 8.53 8.25 1hmyA1 ASN 129 HA -0.02 0.06 0.36 -0.75 4.76 4.40 1hmyA1 ASN 129 HB2 -0.03 -0.07 -0.17 -0.04 2.88 2.57 1hmyA1 ASN 129 HB3 -0.03 0.11 0.33 -0.04 2.79 3.16 1hmyA1 ASN 129 HD21 -0.01 0.00 0.07 -0.04 7.03 7.05 1hmyA1 ASN 129 HD22 -0.01 0.01 0.13 -0.04 7.74 7.82 1hmyA1 GLY 130 H -0.04 0.35 -0.49 -0.55 8.43 7.71 1hmyA1 GLY 130 HA2 -0.04 0.13 0.17 -0.51 4.01 3.75 1hmyA1 GLY 130 HA3 -0.02 0.16 0.47 -0.51 4.01 4.10 1hmyA1 ASN 131 H -0.04 0.39 -0.79 -0.55 8.53 7.54 1hmyA1 ASN 131 HA -0.03 0.02 0.25 -0.75 4.76 4.24 1hmyA1 ASN 131 HB2 -0.03 0.02 0.16 -0.04 2.88 2.99 1hmyA1 ASN 131 HB3 0.01 -0.07 0.01 -0.04 2.79 2.69 1hmyA1 ASN 131 HD21 -0.02 -0.02 0.06 -0.04 7.03 7.01 1hmyA1 ASN 131 HD22 -0.01 -0.07 0.09 -0.04 7.74 7.70 1hmyA1 THR 132 H -0.04 0.47 -0.24 -0.55 8.28 7.93 1hmyA1 THR 132 HA 0.30 0.03 0.37 -0.75 4.39 4.35 1hmyA1 THR 132 HB -0.18 0.11 0.03 -0.04 4.32 4.23 1hmyA1 THR 132 HG23 0.03 -0.01 -0.06 -0.04 1.22 1.13 1hmyA1 LEU 133 H -0.22 0.31 -0.23 -0.55 8.37 7.68 1hmyA1 LEU 133 HA -0.19 0.03 0.49 -0.75 4.35 3.92 1hmyA1 LEU 133 HB2 -0.30 0.07 -0.09 -0.04 1.64 1.28 1hmyA1 LEU 133 HB3 -0.07 0.15 0.04 -0.04 1.64 1.72 1hmyA1 LEU 133 HG 0.16 0.02 -0.16 -0.04 1.64 1.63 1hmyA1 LEU 133 HD13 0.51 -0.03 -0.10 -0.04 0.93 1.27 1hmyA1 LEU 133 HD23 0.17 -0.00 -0.13 -0.04 0.89 0.89 1hmyA1 GLU 134 H -0.09 0.58 -0.10 -0.55 8.60 8.45 1hmyA1 GLU 134 HA -0.08 0.03 0.24 -0.75 4.29 3.72 1hmyA1 GLU 134 HB2 -0.04 0.09 -0.01 -0.04 2.09 2.09 1hmyA1 GLU 134 HB3 -0.06 0.06 0.03 -0.04 1.99 1.98 1hmyA1 GLU 134 HG2 -0.05 -0.04 -0.09 -0.04 2.34 2.12 1hmyA1 GLU 134 HG3 -0.05 -0.05 0.06 -0.04 2.34 2.26 1hmyA1 VAL 135 H -0.15 0.39 -0.52 -0.55 8.24 7.41 1hmyA1 VAL 135 HA -0.17 -0.01 0.26 -0.75 4.13 3.45 1hmyA1 VAL 135 HB -0.56 0.16 0.03 -0.04 2.12 1.71 1hmyA1 VAL 135 HG13 -0.90 -0.02 -0.33 -0.04 0.97 -0.33 1hmyA1 VAL 135 HG23 -0.26 0.01 -0.05 -0.04 0.95 0.61 1hmyA1 VAL 136 H -0.19 0.36 -0.12 -0.55 8.24 7.74 1hmyA1 VAL 136 HA -0.08 0.00 0.35 -0.75 4.13 3.66 1hmyA1 VAL 136 HB 0.01 0.08 0.07 -0.04 2.12 2.24 1hmyA1 VAL 136 HG13 0.03 -0.00 -0.16 -0.04 0.97 0.80 1hmyA1 VAL 136 HG23 -0.68 0.02 0.01 -0.04 0.95 0.25 1hmyA1 LYS 137 H -0.28 0.55 -0.35 -0.55 8.42 7.78 1hmyA1 LYS 137 HA -1.04 0.04 0.34 -0.75 4.32 2.91 1hmyA1 LYS 137 HB2 -0.79 -0.01 -0.02 -0.04 1.87 1.00 1hmyA1 LYS 137 HB3 -0.28 0.11 0.08 -0.04 1.79 1.66 1hmyA1 LYS 137 HG2 -0.19 0.00 -0.25 -0.04 1.46 0.98 1hmyA1 LYS 137 HG3 -0.43 -0.01 -0.06 -0.04 1.46 0.91 1hmyA1 LYS 137 HD2 0.07 -0.02 -0.08 -0.04 1.69 1.62 1hmyA1 LYS 137 HD3 -0.06 -0.00 -0.05 -0.04 1.68 1.53 1hmyA1 LYS 137 HE2 0.01 -0.00 -0.04 -0.04 2.99 2.92 1hmyA1 LYS 137 HE3 0.12 0.02 -0.03 -0.04 2.99 3.06 1hmyA1 ASN 138 H -0.15 0.61 -0.00 -0.55 8.53 8.45 1hmyA1 ASN 138 HA -0.05 0.03 0.33 -0.75 4.76 4.32 1hmyA1 ASN 138 HB2 -0.06 0.02 0.02 -0.04 2.88 2.82 1hmyA1 ASN 138 HB3 -0.02 0.01 -0.01 -0.04 2.79 2.73 1hmyA1 ASN 138 HD21 -0.04 -0.07 -0.01 -0.04 7.03 6.87 1hmyA1 ASN 138 HD22 -0.06 -0.02 -0.15 -0.04 7.74 7.47 1hmyA1 THR 139 H -0.03 0.39 -0.58 -0.55 8.28 7.51 1hmyA1 THR 139 HA 0.09 -0.10 0.44 -0.75 4.39 4.06 1hmyA1 THR 139 HB 0.19 0.15 0.09 -0.04 4.32 4.71 1hmyA1 THR 139 HG23 0.10 -0.02 -0.12 -0.04 1.22 1.14 1hmyA1 MET 140 H 0.01 0.49 -0.09 -0.55 8.47 8.33 1hmyA1 MET 140 HA 0.00 0.05 0.33 -0.75 4.52 4.15 1hmyA1 MET 140 HB2 0.04 0.09 0.07 -0.04 2.15 2.30 1hmyA1 MET 140 HB3 0.13 -0.02 -0.13 -0.04 2.03 1.96 1hmyA1 MET 140 HG2 0.11 0.20 0.06 -0.04 2.63 2.96 1hmyA1 MET 140 HG3 0.19 -0.06 -0.09 -0.04 2.56 2.56 1hmyA1 MET 140 HE3 -0.02 -0.01 -0.16 -0.04 2.10 1.86 1hmyA1 ASN 141 H 0.02 0.52 -0.13 -0.55 8.53 8.39 1hmyA1 ASN 141 HA 0.11 0.41 0.46 -0.75 4.76 4.98 1hmyA1 ASN 141 HB2 0.01 0.01 0.13 -0.04 2.88 3.00 1hmyA1 ASN 141 HB3 0.04 -0.04 0.03 -0.04 2.79 2.77 1hmyA1 ASN 141 HD21 0.05 -0.05 -0.01 -0.04 7.03 6.98 1hmyA1 ASN 141 HD22 0.01 -0.04 -0.03 -0.04 7.74 7.65 1hmyA1 GLU 142 H 0.03 0.46 -0.24 -0.55 8.60 8.30 1hmyA1 GLU 142 HA 0.02 0.07 0.49 -0.75 4.29 4.12 1hmyA1 GLU 142 HB2 -0.01 -0.05 0.21 -0.04 2.09 2.20 1hmyA1 GLU 142 HB3 0.01 -0.04 0.15 -0.04 1.99 2.07 1hmyA1 GLU 142 HG2 0.03 0.44 0.32 -0.04 2.34 3.09 1hmyA1 GLU 142 HG3 0.02 0.06 0.02 -0.04 2.34 2.39 1hmyA1 LEU 143 H 0.09 0.46 -0.66 -0.55 8.37 7.71 1hmyA1 LEU 143 HA 0.02 0.12 0.82 -0.75 4.35 4.55 1hmyA1 LEU 143 HB2 0.09 0.09 0.04 -0.04 1.64 1.81 1hmyA1 LEU 143 HB3 0.12 0.03 0.12 -0.04 1.64 1.87 1hmyA1 LEU 143 HG 0.02 0.07 -0.07 -0.04 1.64 1.61 1hmyA1 LEU 143 HD13 -0.04 -0.01 -0.10 -0.04 0.93 0.74 1hmyA1 LEU 143 HD23 -0.13 0.00 -0.01 -0.04 0.89 0.71 1hmyA1 ASP 144 H 0.08 0.35 -0.14 -0.55 8.40 8.15 1hmyA1 ASP 144 HA 0.04 0.04 0.38 -0.75 4.63 4.33 1hmyA1 ASP 144 HB2 0.01 0.00 -0.45 -0.04 2.71 2.24 1hmyA1 ASP 144 HB3 -0.06 0.02 0.34 -0.04 2.70 2.96 1hmyA1 TYR 145 H 0.22 0.36 0.14 -0.55 8.29 8.45 1hmyA1 TYR 145 HA 0.07 0.12 0.90 -0.75 4.56 4.89 1hmyA1 TYR 145 HB2 0.07 0.08 -0.16 -0.04 3.06 3.01 1hmyA1 TYR 145 HB3 0.10 -0.02 -0.14 -0.04 2.98 2.87 1hmyA1 TYR 145 HD2 0.04 -0.05 -0.54 -0.04 7.15 6.55 1hmyA1 TYR 145 HE2 0.01 0.08 -0.11 -0.04 6.85 6.78 1hmyA1 SER 146 H 0.22 0.48 0.20 -0.55 8.46 8.80 1hmyA1 SER 146 HA 0.13 0.10 0.78 -0.75 4.49 4.75 1hmyA1 SER 146 HB2 0.12 0.05 0.07 -0.04 3.95 4.14 1hmyA1 SER 146 HB3 0.23 -0.06 0.11 -0.04 3.93 4.17 1hmyA1 PHE 147 H 0.11 0.17 0.14 -0.55 8.34 8.21 1hmyA1 PHE 147 HA 0.08 0.25 0.98 -0.75 4.62 5.17 1hmyA1 PHE 147 HB2 0.07 0.03 -0.18 -0.04 3.15 3.03 1hmyA1 PHE 147 HB3 0.03 -0.02 0.10 -0.04 3.06 3.14 1hmyA1 PHE 147 HD2 0.09 0.04 -0.14 -0.04 7.28 7.22 1hmyA1 PHE 147 HE2 0.13 -0.02 -0.18 -0.04 7.38 7.27 1hmyA1 PHE 147 HZ 0.19 -0.06 -0.18 -0.04 7.32 7.23 1hmyA1 HIS 148 H -0.12 0.57 0.29 -0.55 8.41 8.60 1hmyA1 HIS 148 HA 0.02 0.16 0.97 -0.75 4.63 5.02 1hmyA1 HIS 148 HB2 0.02 0.02 0.18 -0.04 3.26 3.44 1hmyA1 HIS 148 HB3 0.29 -0.01 -0.04 -0.04 3.20 3.39 1hmyA1 HIS 148 HD2 0.18 -0.00 -0.02 -0.04 6.97 7.08 1hmyA1 HIS 148 HE1 0.19 0.05 -0.06 -0.04 7.75 7.89 1hmyA1 ALA 149 H 0.07 0.24 0.17 -0.55 8.40 8.34 1hmyA1 ALA 149 HA 0.11 0.33 1.11 -0.75 4.34 5.14 1hmyA1 ALA 149 HB3 -0.08 -0.02 -0.08 -0.04 1.41 1.19 1hmyA1 LYS 150 H -0.01 0.59 0.36 -0.55 8.42 8.80 1hmyA1 LYS 150 HA -0.11 0.09 0.65 -0.75 4.32 4.20 1hmyA1 LYS 150 HB2 -1.35 -0.00 -0.32 -0.04 1.87 0.15 1hmyA1 LYS 150 HB3 -0.71 -0.01 -0.13 -0.04 1.79 0.90 1hmyA1 LYS 150 HG2 -0.17 -0.14 0.16 -0.04 1.46 1.26 1hmyA1 LYS 150 HG3 -0.23 0.09 0.10 -0.04 1.46 1.38 1hmyA1 LYS 150 HD2 -0.45 0.01 -0.05 -0.04 1.69 1.16 1hmyA1 LYS 150 HD3 -0.30 0.00 -0.12 -0.04 1.68 1.23 1hmyA1 LYS 150 HE2 -0.06 -0.00 0.03 -0.04 2.99 2.91 1hmyA1 LYS 150 HE3 -0.06 -0.01 0.04 -0.04 2.99 2.92 1hmyA1 VAL 151 H -0.04 0.20 0.13 -0.55 8.24 7.97 1hmyA1 VAL 151 HA 0.08 0.26 0.82 -0.75 4.13 4.53 1hmyA1 VAL 151 HB 0.02 0.01 0.18 -0.04 2.12 2.28 1hmyA1 VAL 151 HG13 0.04 -0.02 -0.21 -0.04 0.97 0.74 1hmyA1 VAL 151 HG23 0.04 -0.01 -0.08 -0.04 0.95 0.87 1hmyA1 LEU 152 H 0.23 0.45 0.30 -0.55 8.37 8.81 1hmyA1 LEU 152 HA 0.08 0.18 0.94 -0.75 4.35 4.81 1hmyA1 LEU 152 HB2 -0.11 -0.02 -0.01 -0.04 1.64 1.46 1hmyA1 LEU 152 HB3 0.09 0.04 -0.00 -0.04 1.64 1.73 1hmyA1 LEU 152 HG -0.21 0.01 -0.05 -0.04 1.64 1.36 1hmyA1 LEU 152 HD13 -0.47 0.01 -0.08 -0.04 0.93 0.35 1hmyA1 LEU 152 HD23 -0.17 -0.01 -0.24 -0.04 0.89 0.43 1hmyA1 ASN 153 H 0.13 0.23 0.16 -0.55 8.53 8.51 1hmyA1 ASN 153 HA 0.09 0.20 0.72 -0.75 4.76 5.01 1hmyA1 ASN 153 HB2 0.04 0.05 -0.01 -0.04 2.88 2.91 1hmyA1 ASN 153 HB3 0.02 0.05 0.18 -0.04 2.79 2.99 1hmyA1 ASN 153 HD21 -0.00 0.01 0.03 -0.04 7.03 7.02 1hmyA1 ASN 153 HD22 0.00 0.07 0.01 -0.04 7.74 7.78 1hmyA1 ALA 154 H 0.08 0.40 0.16 -0.55 8.40 8.50 1hmyA1 ALA 154 HA 0.18 0.02 0.23 -0.75 4.34 4.01 1hmyA1 ALA 154 HB3 0.05 0.06 0.09 -0.04 1.41 1.56 1hmyA1 LEU 155 H -0.01 -0.02 -0.37 -0.55 8.37 7.43 1hmyA1 LEU 155 HA -0.09 0.59 0.89 -0.75 4.35 4.99 1hmyA1 LEU 155 HB2 -0.07 0.01 0.14 -0.04 1.64 1.67 1hmyA1 LEU 155 HB3 -0.04 -0.01 0.04 -0.04 1.64 1.59 1hmyA1 LEU 155 HG -0.05 -0.08 -0.01 -0.04 1.64 1.46 1hmyA1 LEU 155 HD13 -0.07 0.03 -0.12 -0.04 0.93 0.72 1hmyA1 LEU 155 HD23 -0.02 -0.01 -0.03 -0.04 0.89 0.79 1hmyA1 ASP 156 H -0.10 0.58 0.04 -0.55 8.40 8.38 1hmyA1 ASP 156 HA -0.41 0.21 0.62 -0.75 4.63 4.30 1hmyA1 ASP 156 HB2 -0.30 0.13 0.18 -0.04 2.71 2.68 1hmyA1 ASP 156 HB3 -0.67 -0.06 0.22 -0.04 2.70 2.16 1hmyA1 TYR 157 H -0.19 0.25 -0.69 -0.55 8.29 7.10 1hmyA1 TYR 157 HA -0.64 0.19 0.73 -0.75 4.56 4.09 1hmyA1 TYR 157 HB2 -0.00 -0.04 -0.04 -0.04 3.06 2.94 1hmyA1 TYR 157 HB3 0.18 0.01 0.03 -0.04 2.98 3.16 1hmyA1 TYR 157 HD2 -0.16 -0.00 -0.23 -0.04 7.15 6.72 1hmyA1 TYR 157 HE2 -0.09 -0.07 -0.36 -0.04 6.85 6.30 1hmyA1 GLY 158 H -0.56 0.23 -0.17 -0.55 8.43 7.39 1hmyA1 GLY 158 HA2 -0.19 -0.02 0.30 -0.51 4.01 3.59 1hmyA1 GLY 158 HA3 0.05 0.12 0.47 -0.51 4.01 4.13 1hmyA1 ILE 159 H -0.07 0.22 -0.23 -0.55 8.25 7.62 1hmyA1 ILE 159 HA -0.05 0.26 0.88 -0.75 4.18 4.51 1hmyA1 ILE 159 HB 0.01 0.04 0.03 -0.04 1.89 1.92 1hmyA1 ILE 159 HG12 0.04 0.01 -0.27 -0.04 1.49 1.23 1hmyA1 ILE 159 HG13 0.02 -0.11 -0.18 -0.04 1.21 0.90 1hmyA1 ILE 159 HG23 -0.02 -0.03 -0.24 -0.04 0.93 0.60 1hmyA1 ILE 159 HD13 -0.01 0.09 -0.10 -0.04 0.88 0.82 1hmyA1 PRO 160 HA -0.07 0.06 0.66 -0.51 4.44 4.58 1hmyA1 PRO 160 HB2 -0.02 -0.14 0.18 -0.04 2.28 2.26 1hmyA1 PRO 160 HB3 -0.14 0.34 0.06 -0.04 2.02 2.24 1hmyA1 PRO 160 HG2 -0.06 0.00 0.06 -0.04 2.03 1.99 1hmyA1 PRO 160 HG3 -0.08 0.01 -0.21 -0.04 2.03 1.72 1hmyA1 PRO 160 HD2 -0.06 0.18 0.13 -0.04 3.68 3.89 1hmyA1 PRO 160 HD3 -0.10 0.21 0.03 -0.04 3.65 3.74 1hmyA1 GLN 161 H -0.04 0.39 -0.01 -0.55 8.47 8.27 1hmyA1 GLN 161 HA -0.03 0.12 0.36 -0.75 4.36 4.06 1hmyA1 GLN 161 HB2 -0.04 0.17 -0.01 -0.04 2.15 2.23 1hmyA1 GLN 161 HB3 -0.03 -0.01 -0.22 -0.04 2.02 1.72 1hmyA1 GLN 161 HG2 -0.03 0.05 -0.39 -0.04 2.40 1.98 1hmyA1 GLN 161 HG3 -0.04 0.05 -0.22 -0.04 2.39 2.13 1hmyA1 GLN 161 HE21 -0.03 -0.02 -0.15 -0.04 6.97 6.74 1hmyA1 GLN 161 HE22 -0.04 0.20 -0.13 -0.04 7.69 7.68 1hmyA1 LYS 162 H -0.04 0.52 0.09 -0.55 8.42 8.44 1hmyA1 LYS 162 HA -0.01 -0.01 0.55 -0.75 4.32 4.09 1hmyA1 LYS 162 HB2 -0.04 0.02 0.08 -0.04 1.87 1.89 1hmyA1 LYS 162 HB3 -0.05 -0.06 0.23 -0.04 1.79 1.87 1hmyA1 LYS 162 HG2 -0.02 -0.03 -0.09 -0.04 1.46 1.28 1hmyA1 LYS 162 HG3 -0.01 0.01 0.05 -0.04 1.46 1.46 1hmyA1 LYS 162 HD2 -0.02 0.01 0.03 -0.04 1.69 1.67 1hmyA1 LYS 162 HD3 -0.04 -0.04 0.05 -0.04 1.68 1.61 1hmyA1 LYS 162 HE2 -0.01 -0.01 0.01 -0.04 2.99 2.93 1hmyA1 LYS 162 HE3 -0.01 -0.01 0.01 -0.04 2.99 2.94 1hmyA1 ARG 163 H 0.01 0.04 0.11 -0.55 8.46 8.06 1hmyA1 ARG 163 HA -0.00 0.07 0.45 -0.75 4.34 4.10 1hmyA1 ARG 163 HB2 -0.01 0.17 -0.19 -0.04 1.90 1.83 1hmyA1 ARG 163 HB3 0.02 -0.05 0.01 -0.04 1.80 1.74 1hmyA1 ARG 163 HG2 0.01 -0.06 -0.22 -0.04 1.67 1.37 1hmyA1 ARG 163 HG3 -0.01 0.02 -0.04 -0.04 1.67 1.60 1hmyA1 ARG 163 HD2 0.01 -0.03 -0.07 -0.04 3.22 3.09 1hmyA1 ARG 163 HD3 -0.01 0.01 -0.08 -0.04 3.22 3.10 1hmyA1 GLU 164 H 0.01 0.11 0.11 -0.55 8.60 8.29 1hmyA1 GLU 164 HA 0.07 0.24 0.56 -0.75 4.29 4.41 1hmyA1 GLU 164 HB2 0.02 -0.05 0.13 -0.04 2.09 2.15 1hmyA1 GLU 164 HB3 0.03 0.04 -0.08 -0.04 1.99 1.95 1hmyA1 GLU 164 HG2 0.03 0.05 -0.11 -0.04 2.34 2.27 1hmyA1 GLU 164 HG3 0.02 -0.12 0.01 -0.04 2.34 2.21 1hmyA1 ARG 165 H 0.11 0.49 0.33 -0.55 8.46 8.84 1hmyA1 ARG 165 HA -0.06 -0.04 0.81 -0.75 4.34 4.29 1hmyA1 ARG 165 HB2 -0.18 -0.01 0.06 -0.04 1.90 1.73 1hmyA1 ARG 165 HB3 -0.31 0.16 0.11 -0.04 1.80 1.72 1hmyA1 ARG 165 HG2 -0.01 -0.04 -0.74 -0.04 1.67 0.85 1hmyA1 ARG 165 HG3 -0.06 -0.00 -0.10 -0.04 1.67 1.47 1hmyA1 ARG 165 HD2 -0.07 -0.10 0.19 -0.04 3.22 3.21 1hmyA1 ARG 165 HD3 -0.05 0.01 -0.08 -0.04 3.22 3.06 1hmyA1 ILE 166 H -0.09 0.19 -0.09 -0.55 8.25 7.71 1hmyA1 ILE 166 HA 0.06 0.23 0.71 -0.75 4.18 4.43 1hmyA1 ILE 166 HB 0.08 -0.05 -0.08 -0.04 1.89 1.79 1hmyA1 ILE 166 HG12 0.11 0.13 -0.16 -0.04 1.49 1.53 1hmyA1 ILE 166 HG13 0.08 -0.01 -0.24 -0.04 1.21 1.00 1hmyA1 ILE 166 HG23 0.02 -0.03 -0.21 -0.04 0.93 0.67 1hmyA1 ILE 166 HD13 0.25 -0.03 -0.17 -0.04 0.88 0.88 1hmyA1 TYR 167 H 0.22 0.69 0.43 -0.55 8.29 9.08 1hmyA1 TYR 167 HA 0.14 0.19 0.87 -0.75 4.56 5.01 1hmyA1 TYR 167 HB2 0.14 -0.02 0.17 -0.04 3.06 3.31 1hmyA1 TYR 167 HB3 0.29 0.06 0.06 -0.04 2.98 3.35 1hmyA1 TYR 167 HD2 0.10 0.06 0.05 -0.04 7.15 7.32 1hmyA1 TYR 167 HE2 -0.04 0.02 0.02 -0.04 6.85 6.82 1hmyA1 MET 168 H 0.28 0.56 0.12 -0.55 8.47 8.88 1hmyA1 MET 168 HA 0.14 0.30 1.10 -0.75 4.52 5.31 1hmyA1 MET 168 HB2 0.21 -0.08 -0.00 -0.04 2.15 2.24 1hmyA1 MET 168 HB3 0.11 0.05 -0.06 -0.04 2.03 2.09 1hmyA1 MET 168 HG2 0.14 0.03 -0.21 -0.04 2.63 2.56 1hmyA1 MET 168 HG3 0.14 -0.10 -0.62 -0.04 2.56 1.94 1hmyA1 MET 168 HE3 -0.02 -0.02 -0.21 -0.04 2.10 1.80 1hmyA1 ILE 169 H 0.06 0.70 0.33 -0.55 8.25 8.80 1hmyA1 ILE 169 HA -0.07 0.23 1.14 -0.75 4.18 4.73 1hmyA1 ILE 169 HB -0.39 -0.03 0.09 -0.04 1.89 1.52 1hmyA1 ILE 169 HG12 -0.29 0.04 -0.17 -0.04 1.49 1.03 1hmyA1 ILE 169 HG13 0.14 -0.11 -0.35 -0.04 1.21 0.86 1hmyA1 ILE 169 HG23 -0.98 0.01 -0.19 -0.04 0.93 -0.28 1hmyA1 ILE 169 HD13 -0.22 0.00 -0.16 -0.04 0.88 0.46 1hmyA1 CYS 170 H -0.12 0.57 0.33 -0.55 8.50 8.73 1hmyA1 CYS 170 HA 0.10 0.36 1.23 -0.75 4.58 5.52 1hmyA1 CYS 170 HB2 0.09 -0.10 0.18 -0.04 2.97 3.09 1hmyA1 CYS 170 HB3 0.26 0.07 0.04 -0.04 2.97 3.29 1hmyA1 PHE 171 H 0.23 0.26 0.24 -0.55 8.34 8.52 1hmyA1 PHE 171 HA 0.03 0.27 1.04 -0.75 4.62 5.20 1hmyA1 PHE 171 HB2 0.05 -0.07 0.14 -0.04 3.15 3.23 1hmyA1 PHE 171 HB3 -0.02 0.09 -0.06 -0.04 3.06 3.03 1hmyA1 PHE 171 HD2 -0.12 0.04 -0.02 -0.04 7.28 7.14 1hmyA1 PHE 171 HE2 -0.45 0.00 -0.08 -0.04 7.38 6.81 1hmyA1 PHE 171 HZ -0.23 0.04 -0.03 -0.04 7.32 7.07 1hmyA1 ARG 172 H 0.05 0.70 0.39 -0.55 8.46 9.05 1hmyA1 ARG 172 HA -0.95 0.13 0.55 -0.75 4.34 3.32 1hmyA1 ARG 172 HB2 -0.26 0.28 0.31 -0.04 1.90 2.19 1hmyA1 ARG 172 HB3 -0.15 -0.19 0.20 -0.04 1.80 1.61 1hmyA1 ARG 172 HG2 -0.46 0.02 0.24 -0.04 1.67 1.43 1hmyA1 ARG 172 HG3 -0.60 0.18 0.11 -0.04 1.67 1.32 1hmyA1 ARG 172 HD2 -0.12 -0.22 0.03 -0.04 3.22 2.87 1hmyA1 ARG 172 HD3 -0.13 0.04 0.04 -0.04 3.22 3.13 1hmyA1 ASN 173 H -0.25 0.72 0.38 -0.55 8.53 8.84 1hmyA1 ASN 173 HA -0.03 0.02 0.45 -0.75 4.76 4.44 1hmyA1 ASN 173 HB2 -0.07 0.12 0.11 -0.04 2.88 3.00 1hmyA1 ASN 173 HB3 -0.03 -0.03 0.04 -0.04 2.79 2.73 1hmyA1 ASN 173 HD21 0.03 0.00 -0.12 -0.04 7.03 6.91 1hmyA1 ASN 173 HD22 0.01 -0.01 -0.05 -0.04 7.74 7.65 1hmyA1 ASP 174 H -0.12 0.12 -0.28 -0.55 8.40 7.56 1hmyA1 ASP 174 HA -0.05 0.04 0.36 -0.75 4.63 4.23 1hmyA1 ASP 174 HB2 -0.07 0.01 0.09 -0.04 2.71 2.70 1hmyA1 ASP 174 HB3 -0.07 0.01 0.04 -0.04 2.70 2.63 1hmyA1 LEU 175 H -0.06 0.27 -0.28 -0.55 8.37 7.76 1hmyA1 LEU 175 HA -0.05 0.06 0.35 -0.75 4.35 3.96 1hmyA1 LEU 175 HB2 -0.04 0.11 -0.03 -0.04 1.64 1.64 1hmyA1 LEU 175 HB3 -0.08 0.03 -0.03 -0.04 1.64 1.52 1hmyA1 LEU 175 HG -0.02 -0.09 0.06 -0.04 1.64 1.55 1hmyA1 LEU 175 HD13 0.10 -0.01 0.08 -0.04 0.93 1.05 1hmyA1 LEU 175 HD23 -0.02 0.01 0.00 -0.04 0.89 0.83 1hmyA1 ASN 176 H -0.04 0.26 -0.41 -0.55 8.53 7.79 1hmyA1 ASN 176 HA -0.03 -0.05 0.30 -0.75 4.76 4.23 1hmyA1 ASN 176 HB2 -0.03 0.09 -0.22 -0.04 2.88 2.68 1hmyA1 ASN 176 HB3 -0.04 0.13 0.10 -0.04 2.79 2.95 1hmyA1 ASN 176 HD21 -0.01 -0.06 -0.01 -0.04 7.03 6.91 1hmyA1 ASN 176 HD22 -0.02 0.00 -0.01 -0.04 7.74 7.67 1hmyA1 ILE 177 H -0.06 0.13 -0.02 -0.55 8.25 7.74 1hmyA1 ILE 177 HA -0.14 0.28 0.98 -0.75 4.18 4.55 1hmyA1 ILE 177 HB -0.42 -0.06 0.10 -0.04 1.89 1.47 1hmyA1 ILE 177 HG12 -0.24 -0.09 -0.57 -0.04 1.49 0.54 1hmyA1 ILE 177 HG13 -0.77 -0.04 -0.15 -0.04 1.21 0.21 1hmyA1 ILE 177 HG23 -0.73 -0.02 -0.12 -0.04 0.93 0.02 1hmyA1 ILE 177 HD13 -0.20 0.11 -0.11 -0.04 0.88 0.64 1hmyA1 GLN 178 H -0.04 0.31 0.11 -0.55 8.47 8.30 1hmyA1 GLN 178 HA 0.04 0.14 0.65 -0.75 4.36 4.45 1hmyA1 GLN 178 HB2 0.00 0.05 0.08 -0.04 2.15 2.24 1hmyA1 GLN 178 HB3 0.01 0.01 0.17 -0.04 2.02 2.17 1hmyA1 GLN 178 HG2 0.03 -0.01 0.02 -0.04 2.40 2.39 1hmyA1 GLN 178 HG3 0.04 0.02 -0.03 -0.04 2.39 2.38 1hmyA1 GLN 178 HE21 0.01 0.02 -0.05 -0.04 6.97 6.91 1hmyA1 GLN 178 HE22 0.03 -0.02 -0.04 -0.04 7.69 7.62 1hmyA1 ASN 179 H -0.09 0.08 -0.27 -0.55 8.53 7.71 1hmyA1 ASN 179 HA -0.08 0.17 0.56 -0.75 4.76 4.66 1hmyA1 ASN 179 HB2 -0.08 -0.03 0.08 -0.04 2.88 2.82 1hmyA1 ASN 179 HB3 -0.12 0.05 0.03 -0.04 2.79 2.71 1hmyA1 ASN 179 HD21 -0.52 -0.04 -0.01 -0.04 7.03 6.42 1hmyA1 ASN 179 HD22 -0.13 0.10 0.04 -0.04 7.74 7.70 1hmyA1 PHE 180 H 0.02 0.08 -0.17 -0.55 8.34 7.71 1hmyA1 PHE 180 HA -0.16 0.19 0.70 -0.75 4.62 4.60 1hmyA1 PHE 180 HB2 -0.08 0.02 -0.01 -0.04 3.15 3.03 1hmyA1 PHE 180 HB3 -0.33 -0.02 -0.00 -0.04 3.06 2.67 1hmyA1 PHE 180 HD2 -0.51 0.07 -0.11 -0.04 7.28 6.70 1hmyA1 PHE 180 HE2 -0.76 0.02 -0.20 -0.04 7.38 6.39 1hmyA1 PHE 180 HZ -0.58 -0.05 -0.20 -0.04 7.32 6.45 1hmyA1 GLN 181 H -1.00 0.29 0.16 -0.55 8.47 7.38 1hmyA1 GLN 181 HA -0.72 0.04 0.63 -0.75 4.36 3.55 1hmyA1 GLN 181 HB2 -0.21 0.03 -0.03 -0.04 2.15 1.90 1hmyA1 GLN 181 HB3 -0.24 0.08 -0.22 -0.04 2.02 1.60 1hmyA1 GLN 181 HG2 -0.23 0.04 -0.02 -0.04 2.40 2.15 1hmyA1 GLN 181 HG3 -0.25 -0.01 -0.10 -0.04 2.39 1.99 1hmyA1 GLN 181 HE21 -0.07 -0.04 -0.07 -0.04 6.97 6.75 1hmyA1 GLN 181 HE22 -0.09 -0.01 -0.15 -0.04 7.69 7.40 1hmyA1 PHE 182 H -0.25 0.09 0.08 -0.55 8.34 7.70 1hmyA1 PHE 182 HA -0.21 0.08 0.37 -0.75 4.62 4.09 1hmyA1 PHE 182 HB2 -0.08 0.00 0.04 -0.04 3.15 3.07 1hmyA1 PHE 182 HB3 -0.07 0.04 -0.03 -0.04 3.06 2.96 1hmyA1 PHE 182 HD2 0.00 0.02 -0.04 -0.04 7.28 7.23 1hmyA1 PHE 182 HE2 0.18 0.00 -0.16 -0.04 7.38 7.36 1hmyA1 PHE 182 HZ 0.20 -0.04 -0.49 -0.04 7.32 6.94 1hmyA1 PRO 183 HA 0.01 0.08 0.25 -0.51 4.44 4.27 1hmyA1 PRO 183 HB2 0.06 0.03 -0.13 -0.04 2.28 2.19 1hmyA1 PRO 183 HB3 -0.03 0.03 0.06 -0.04 2.02 2.04 1hmyA1 PRO 183 HG2 -0.03 -0.03 -0.07 -0.04 2.03 1.86 1hmyA1 PRO 183 HG3 0.07 0.12 -0.18 -0.04 2.03 2.00 1hmyA1 PRO 183 HD2 -0.02 0.04 0.05 -0.04 3.68 3.71 1hmyA1 PRO 183 HD3 0.06 0.11 0.13 -0.04 3.65 3.91 1hmyA1 LYS 184 H 0.01 0.12 0.15 -0.55 8.42 8.14 1hmyA1 LYS 184 HA 0.05 0.18 0.83 -0.75 4.32 4.63 1hmyA1 LYS 184 HB2 -0.03 -0.07 0.14 -0.04 1.87 1.87 1hmyA1 LYS 184 HB3 -0.02 0.09 0.01 -0.04 1.79 1.83 1hmyA1 LYS 184 HG2 0.00 0.02 0.04 -0.04 1.46 1.49 1hmyA1 LYS 184 HG3 -0.01 0.02 -0.06 -0.04 1.46 1.37 1hmyA1 LYS 184 HD2 -0.03 -0.03 0.00 -0.04 1.69 1.60 1hmyA1 LYS 184 HD3 -0.02 0.01 0.01 -0.04 1.68 1.64 1hmyA1 LYS 184 HE2 -0.01 -0.01 0.00 -0.04 2.99 2.93 1hmyA1 LYS 184 HE3 -0.02 0.01 -0.02 -0.04 2.99 2.93 1hmyA1 PRO 185 HA -0.65 0.26 0.56 -0.51 4.44 4.10 1hmyA1 PRO 185 HB2 -0.26 0.02 0.03 -0.04 2.28 2.04 1hmyA1 PRO 185 HB3 -0.36 -0.05 0.15 -0.04 2.02 1.72 1hmyA1 PRO 185 HG2 -0.07 0.01 0.09 -0.04 2.03 2.02 1hmyA1 PRO 185 HG3 -0.07 -0.01 0.09 -0.04 2.03 2.00 1hmyA1 PRO 185 HD2 -0.01 0.06 0.29 -0.04 3.68 3.99 1hmyA1 PRO 185 HD3 0.02 0.19 0.21 -0.04 3.65 4.02 1hmyA1 PHE 186 H -0.51 0.46 0.25 -0.55 8.34 7.99 1hmyA1 PHE 186 HA -0.14 0.14 0.77 -0.75 4.62 4.64 1hmyA1 PHE 186 HB2 -0.10 -0.17 0.17 -0.04 3.15 3.00 1hmyA1 PHE 186 HB3 -0.13 0.10 -0.15 -0.04 3.06 2.83 1hmyA1 PHE 186 HD2 -0.19 0.04 -0.00 -0.04 7.28 7.09 1hmyA1 PHE 186 HE2 -0.16 -0.01 -0.05 -0.04 7.38 7.12 1hmyA1 PHE 186 HZ 0.16 0.05 -0.27 -0.04 7.32 7.22 1hmyA1 GLU 187 H 0.15 0.10 0.12 -0.55 8.60 8.42 1hmyA1 GLU 187 HA -0.07 0.04 0.49 -0.75 4.29 3.99 1hmyA1 GLU 187 HB2 0.08 -0.02 0.10 -0.04 2.09 2.20 1hmyA1 GLU 187 HB3 0.01 0.07 -0.13 -0.04 1.99 1.90 1hmyA1 GLU 187 HG2 0.01 -0.02 0.03 -0.04 2.34 2.32 1hmyA1 GLU 187 HG3 0.02 0.00 0.02 -0.04 2.34 2.34 1hmyA1 LEU 188 H -0.10 0.13 0.19 -0.55 8.37 8.04 1hmyA1 LEU 188 HA -0.25 0.12 0.78 -0.75 4.35 4.24 1hmyA1 LEU 188 HB2 -0.23 0.19 0.10 -0.04 1.64 1.66 1hmyA1 LEU 188 HB3 -0.16 -0.06 0.11 -0.04 1.64 1.49 1hmyA1 LEU 188 HG -0.61 -0.05 -0.14 -0.04 1.64 0.80 1hmyA1 LEU 188 HD13 -0.26 0.01 -0.12 -0.04 0.93 0.52 1hmyA1 LEU 188 HD23 -0.15 -0.00 -0.01 -0.04 0.89 0.69 1hmyA1 ASN 189 H -0.22 0.19 0.09 -0.55 8.53 8.05 1hmyA1 ASN 189 HA -0.17 0.17 0.70 -0.75 4.76 4.70 1hmyA1 ASN 189 HB2 -0.02 -0.01 0.15 -0.04 2.88 2.95 1hmyA1 ASN 189 HB3 -0.02 0.03 -0.17 -0.04 2.79 2.59 1hmyA1 ASN 189 HD21 0.01 0.02 -0.05 -0.04 7.03 6.97 1hmyA1 ASN 189 HD22 -0.01 -0.02 -0.00 -0.04 7.74 7.66 1hmyA1 THR 190 H -0.59 0.24 -0.01 -0.55 8.28 7.37 1hmyA1 THR 190 HA -0.18 0.13 0.79 -0.75 4.39 4.38 1hmyA1 THR 190 HB -0.17 0.05 -0.03 -0.04 4.32 4.13 1hmyA1 THR 190 HG23 -0.06 0.03 0.03 -0.04 1.22 1.17 1hmyA1 PHE 191 H 0.01 0.15 0.13 -0.55 8.34 8.08 1hmyA1 PHE 191 HA -0.03 0.22 0.78 -0.75 4.62 4.83 1hmyA1 PHE 191 HB2 -0.02 -0.09 -0.01 -0.04 3.15 2.98 1hmyA1 PHE 191 HB3 -0.02 0.17 0.07 -0.04 3.06 3.25 1hmyA1 PHE 191 HD2 -0.02 0.03 -0.20 -0.04 7.28 7.05 1hmyA1 PHE 191 HE2 -0.02 -0.01 -0.38 -0.04 7.38 6.93 1hmyA1 PHE 191 HZ -0.02 0.07 -0.27 -0.04 7.32 7.05 1hmyA1 VAL 192 H 0.14 0.53 0.23 -0.55 8.24 8.59 1hmyA1 VAL 192 HA -0.04 0.07 0.28 -0.75 4.13 3.69 1hmyA1 VAL 192 HB 0.01 0.01 0.12 -0.04 2.12 2.21 1hmyA1 VAL 192 HG13 -0.27 -0.01 -0.09 -0.04 0.97 0.56 1hmyA1 VAL 192 HG23 -0.01 0.08 -0.06 -0.04 0.95 0.91 1hmyA1 LYS 193 H 0.06 0.38 -0.04 -0.55 8.42 8.27 1hmyA1 LYS 193 HA -0.00 -0.01 0.31 -0.75 4.32 3.86 1hmyA1 LYS 193 HB2 0.02 0.04 -0.11 -0.04 1.87 1.78 1hmyA1 LYS 193 HB3 0.01 -0.07 0.03 -0.04 1.79 1.72 1hmyA1 LYS 193 HG2 0.02 0.06 -0.09 -0.04 1.46 1.41 1hmyA1 LYS 193 HG3 0.10 -0.08 -0.00 -0.04 1.46 1.44 1hmyA1 LYS 193 HD2 0.01 -0.01 -0.06 -0.04 1.69 1.59 1hmyA1 LYS 193 HD3 0.01 -0.01 -0.04 -0.04 1.68 1.60 1hmyA1 LYS 193 HE2 0.12 -0.03 -0.05 -0.04 2.99 2.97 1hmyA1 LYS 193 HE3 0.04 0.03 -0.14 -0.04 2.99 2.88 1hmyA1 ASP 194 H 0.04 0.37 -0.22 -0.55 8.40 8.04 1hmyA1 ASP 194 HA 0.01 0.09 0.58 -0.75 4.63 4.55 1hmyA1 ASP 194 HB2 0.00 0.09 0.13 -0.04 2.71 2.90 1hmyA1 ASP 194 HB3 -0.00 0.03 0.11 -0.04 2.70 2.80 1hmyA1 LEU 195 H -0.02 0.37 -0.21 -0.55 8.37 7.96 1hmyA1 LEU 195 HA -0.03 0.18 0.70 -0.75 4.35 4.45 1hmyA1 LEU 195 HB2 -0.07 0.04 0.04 -0.04 1.64 1.62 1hmyA1 LEU 195 HB3 -0.06 -0.06 0.05 -0.04 1.64 1.54 1hmyA1 LEU 195 HG -0.04 -0.02 -0.14 -0.04 1.64 1.40 1hmyA1 LEU 195 HD13 -0.06 -0.01 -0.17 -0.04 0.93 0.65 1hmyA1 LEU 195 HD23 -0.03 0.03 -0.12 -0.04 0.89 0.72 1hmyA1 LEU 196 H -0.04 0.20 -0.22 -0.55 8.37 7.76 1hmyA1 LEU 196 HA -0.06 -0.04 0.44 -0.75 4.35 3.94 1hmyA1 LEU 196 HB2 -0.03 0.06 -0.03 -0.04 1.64 1.60 1hmyA1 LEU 196 HB3 -0.04 -0.03 0.06 -0.04 1.64 1.59 1hmyA1 LEU 196 HG -0.05 0.17 0.03 -0.04 1.64 1.76 1hmyA1 LEU 196 HD13 -0.02 -0.03 -0.05 -0.04 0.93 0.79 1hmyA1 LEU 196 HD23 -0.12 -0.04 -0.10 -0.04 0.89 0.59 1hmyA1 LEU 197 H -0.06 0.00 0.13 -0.55 8.37 7.90 1hmyA1 LEU 197 HA -0.05 0.20 0.61 -0.75 4.35 4.35 1hmyA1 LEU 197 HB2 -0.11 -0.04 0.00 -0.04 1.64 1.44 1hmyA1 LEU 197 HB3 -0.09 0.03 0.11 -0.04 1.64 1.64 1hmyA1 LEU 197 HG -0.09 0.00 -0.04 -0.04 1.64 1.47 1hmyA1 LEU 197 HD13 -0.39 -0.04 -0.01 -0.04 0.93 0.45 1hmyA1 LEU 197 HD23 -0.08 0.02 -0.03 -0.04 0.89 0.77 1hmyA1 PRO 198 HA -0.02 0.13 0.53 -0.51 4.44 4.58 1hmyA1 PRO 198 HB2 -0.01 -0.11 0.04 -0.04 2.28 2.15 1hmyA1 PRO 198 HB3 -0.01 0.11 0.11 -0.04 2.02 2.19 1hmyA1 PRO 198 HG2 -0.02 -0.08 0.07 -0.04 2.03 1.96 1hmyA1 PRO 198 HG3 -0.02 0.10 0.07 -0.04 2.03 2.15 1hmyA1 PRO 198 HD2 -0.04 0.10 0.22 -0.04 3.68 3.91 1hmyA1 PRO 198 HD3 -0.02 0.23 0.11 -0.04 3.65 3.93 1hmyA1 ASP 199 H -0.01 0.18 0.14 -0.55 8.40 8.17 1hmyA1 ASP 199 HA -0.02 0.11 0.28 -0.75 4.63 4.26 1hmyA1 ASP 199 HB2 -0.00 -0.02 0.12 -0.04 2.71 2.76 1hmyA1 ASP 199 HB3 0.00 0.03 -0.04 -0.04 2.70 2.65 1hmyA1 SER 200 H -0.00 0.09 -0.22 -0.55 8.46 7.78 1hmyA1 SER 200 HA 0.01 0.06 0.36 -0.75 4.49 4.17 1hmyA1 SER 200 HB2 0.01 0.05 0.00 -0.04 3.95 3.98 1hmyA1 SER 200 HB3 0.01 0.02 0.08 -0.04 3.93 3.99 1hmyA1 GLU 201 H -0.02 0.41 -0.37 -0.55 8.60 8.08 1hmyA1 GLU 201 HA 0.05 0.20 0.84 -0.75 4.29 4.62 1hmyA1 GLU 201 HB2 -0.07 0.07 0.04 -0.04 2.09 2.09 1hmyA1 GLU 201 HB3 -0.04 -0.02 0.16 -0.04 1.99 2.04 1hmyA1 GLU 201 HG2 0.01 0.03 -0.07 -0.04 2.34 2.28 1hmyA1 GLU 201 HG3 -0.01 -0.08 -0.10 -0.04 2.34 2.11 1hmyA1 VAL 202 H -0.02 0.55 -0.25 -0.55 8.24 7.97 1hmyA1 VAL 202 HA -0.20 0.19 0.91 -0.75 4.13 4.29 1hmyA1 VAL 202 HB -0.06 -0.03 0.08 -0.04 2.12 2.08 1hmyA1 VAL 202 HG13 -0.07 -0.02 -0.24 -0.04 0.97 0.61 1hmyA1 VAL 202 HG23 -0.03 0.04 -0.12 -0.04 0.95 0.80 1hmyA1 GLU 203 H -0.00 0.25 -0.05 -0.55 8.60 8.26 1hmyA1 GLU 203 HA -0.00 0.05 0.31 -0.75 4.29 3.89 1hmyA1 GLU 203 HB2 0.08 -0.01 0.11 -0.04 2.09 2.22 1hmyA1 GLU 203 HB3 0.04 0.00 0.03 -0.04 1.99 2.03 1hmyA1 GLU 203 HG2 0.02 -0.03 0.01 -0.04 2.34 2.31 1hmyA1 GLU 203 HG3 0.02 0.15 0.07 -0.04 2.34 2.53 1hmyA1 HIS 204 H 0.06 0.11 -0.23 -0.55 8.41 7.82 1hmyA1 HIS 204 HA 0.04 0.09 0.32 -0.75 4.63 4.33 1hmyA1 HIS 204 HB2 0.04 0.01 0.16 -0.04 3.26 3.43 1hmyA1 HIS 204 HB3 0.04 -0.02 0.08 -0.04 3.20 3.26 1hmyA1 HIS 204 HD2 0.06 -0.03 -0.08 -0.04 6.97 6.88 1hmyA1 HIS 204 HE1 0.08 -0.05 -0.02 -0.04 7.75 7.72 1hmyA1 LEU 205 H -0.12 0.44 -0.64 -0.55 8.37 7.50 1hmyA1 LEU 205 HA 0.07 0.18 0.93 -0.75 4.35 4.79 1hmyA1 LEU 205 HB2 -0.04 0.15 0.01 -0.04 1.64 1.71 1hmyA1 LEU 205 HB3 0.08 -0.16 0.09 -0.04 1.64 1.60 1hmyA1 LEU 205 HG -0.47 -0.09 -0.35 -0.04 1.64 0.69 1hmyA1 LEU 205 HD13 0.07 -0.00 -0.17 -0.04 0.93 0.79 1hmyA1 LEU 205 HD23 0.18 0.01 -0.06 -0.04 0.89 0.98 1hmyA1 VAL 206 H 0.03 0.44 0.13 -0.55 8.24 8.28 1hmyA1 VAL 206 HA 0.08 0.08 0.47 -0.75 4.13 4.01 1hmyA1 VAL 206 HB 0.04 0.02 0.11 -0.04 2.12 2.25 1hmyA1 VAL 206 HG13 0.05 -0.04 -0.19 -0.04 0.97 0.75 1hmyA1 VAL 206 HG23 0.02 0.02 0.01 -0.04 0.95 0.97 1hmyA1 ILE 207 H 0.14 0.76 0.35 -0.55 8.25 8.94 1hmyA1 ILE 207 HA 0.04 0.13 0.91 -0.75 4.18 4.51 1hmyA1 ILE 207 HB 0.20 0.01 0.10 -0.04 1.89 2.16 1hmyA1 ILE 207 HG12 -0.00 0.02 -0.05 -0.04 1.49 1.41 1hmyA1 ILE 207 HG13 0.09 0.10 -0.46 -0.04 1.21 0.90 1hmyA1 ILE 207 HG23 -0.14 -0.03 -0.22 -0.04 0.93 0.50 1hmyA1 ILE 207 HD13 -0.09 -0.03 -0.05 -0.04 0.88 0.66 1hmyA1 ASP 208 H 0.02 0.20 0.10 -0.55 8.40 8.17 1hmyA1 ASP 208 HA 0.04 0.11 0.80 -0.75 4.63 4.82 1hmyA1 ASP 208 HB2 0.02 0.00 0.13 -0.04 2.71 2.82 1hmyA1 ASP 208 HB3 0.02 0.01 -0.02 -0.04 2.70 2.66 1hmyA1 ARG 209 H 0.03 0.30 0.16 -0.55 8.46 8.40 1hmyA1 ARG 209 HA -0.00 0.14 0.83 -0.75 4.34 4.56 1hmyA1 ARG 209 HB2 0.05 0.07 -0.06 -0.04 1.90 1.91 1hmyA1 ARG 209 HB3 0.01 -0.11 -0.10 -0.04 1.80 1.56 1hmyA1 ARG 209 HG2 -0.04 0.20 -0.22 -0.04 1.67 1.57 1hmyA1 ARG 209 HG3 -0.06 0.01 -0.17 -0.04 1.67 1.41 1hmyA1 ARG 209 HD2 -0.03 -0.08 -0.02 -0.04 3.22 3.05 1hmyA1 ARG 209 HD3 -0.02 -0.10 0.09 -0.04 3.22 3.15 1hmyA1 LYS 210 H 0.00 0.16 0.15 -0.55 8.42 8.18 1hmyA1 LYS 210 HA 0.01 0.23 0.84 -0.75 4.32 4.64 1hmyA1 LYS 210 HB2 -0.00 -0.02 0.10 -0.04 1.87 1.91 1hmyA1 LYS 210 HB3 0.00 0.06 0.11 -0.04 1.79 1.92 1hmyA1 LYS 210 HG2 0.00 -0.06 -0.09 -0.04 1.46 1.27 1hmyA1 LYS 210 HG3 0.00 0.02 0.01 -0.04 1.46 1.46 1hmyA1 LYS 210 HD2 0.00 0.02 0.03 -0.04 1.69 1.69 1hmyA1 LYS 210 HD3 0.00 0.04 0.05 -0.04 1.68 1.73 1hmyA1 LYS 210 HE2 0.01 -0.02 -0.08 -0.04 2.99 2.86 1hmyA1 LYS 210 HE3 0.00 0.00 -0.03 -0.04 2.99 2.93 1hmyA1 ASP 211 H 0.00 -0.00 -0.06 -0.55 8.40 7.80 1hmyA1 ASP 211 HA 0.00 0.29 0.74 -0.75 4.63 4.91 1hmyA1 ASP 211 HB2 -0.00 0.08 0.17 -0.04 2.71 2.92 1hmyA1 ASP 211 HB3 -0.00 0.02 0.07 -0.04 2.70 2.74 1hmyA1 LEU 212 H 0.01 0.19 -0.78 -0.55 8.37 7.24 1hmyA1 LEU 212 HA 0.02 0.26 0.70 -0.75 4.35 4.58 1hmyA1 LEU 212 HB2 0.04 -0.07 0.01 -0.04 1.64 1.58 1hmyA1 LEU 212 HB3 0.02 0.07 0.07 -0.04 1.64 1.75 1hmyA1 LEU 212 HG -0.00 -0.04 -0.48 -0.04 1.64 1.07 1hmyA1 LEU 212 HD13 0.01 0.08 -0.05 -0.04 0.93 0.92 1hmyA1 LEU 212 HD23 0.01 -0.01 -0.08 -0.04 0.89 0.76 1hmyA1 VAL 213 H -0.01 0.41 0.15 -0.55 8.24 8.25 1hmyA1 VAL 213 HA -0.01 0.20 0.93 -0.75 4.13 4.49 1hmyA1 VAL 213 HB -0.02 -0.06 0.05 -0.04 2.12 2.06 1hmyA1 VAL 213 HG13 -0.01 0.01 -0.19 -0.04 0.97 0.74 1hmyA1 VAL 213 HG23 -0.01 0.05 -0.25 -0.04 0.95 0.70 1hmyA1 MET 214 H -0.02 0.19 0.08 -0.55 8.47 8.18 1hmyA1 MET 214 HA -0.04 0.02 0.73 -0.75 4.52 4.47 1hmyA1 MET 214 HB2 -0.02 -0.01 0.13 -0.04 2.15 2.21 1hmyA1 MET 214 HB3 -0.03 0.14 -0.03 -0.04 2.03 2.07 1hmyA1 MET 214 HG2 -0.02 -0.03 -0.05 -0.04 2.63 2.49 1hmyA1 MET 214 HG3 -0.02 0.00 -0.01 -0.04 2.56 2.49 1hmyA1 MET 214 HE3 -0.03 0.02 -0.01 -0.04 2.10 2.04 1hmyA1 THR 215 H -0.05 0.29 0.36 -0.55 8.28 8.33 1hmyA1 THR 215 HA -0.03 0.12 0.66 -0.75 4.39 4.39 1hmyA1 THR 215 HB -0.03 -0.02 -0.01 -0.04 4.32 4.22 1hmyA1 THR 215 HG23 -0.03 0.00 -0.08 -0.04 1.22 1.07 1hmyA1 ASN 216 H -0.04 0.45 0.24 -0.55 8.53 8.63 1hmyA1 ASN 216 HA -0.03 0.16 0.85 -0.75 4.76 4.99 1hmyA1 ASN 216 HB2 -0.04 0.02 0.08 -0.04 2.88 2.90 1hmyA1 ASN 216 HB3 -0.03 0.05 0.03 -0.04 2.79 2.80 1hmyA1 ASN 216 HD21 -0.03 -0.06 -0.06 -0.04 7.03 6.85 1hmyA1 ASN 216 HD22 -0.04 0.22 -0.00 -0.04 7.74 7.88 1hmyA1 GLN 217 H -0.02 0.15 0.12 -0.55 8.47 8.18 1hmyA1 GLN 217 HA -0.02 0.15 0.83 -0.75 4.36 4.55 1hmyA1 GLN 217 HB2 -0.02 0.02 0.04 -0.04 2.15 2.15 1hmyA1 GLN 217 HB3 -0.02 0.00 0.07 -0.04 2.02 2.03 1hmyA1 GLN 217 HG2 -0.02 0.03 -0.11 -0.04 2.40 2.26 1hmyA1 GLN 217 HG3 -0.02 -0.00 -0.12 -0.04 2.39 2.20 1hmyA1 GLN 217 HE21 -0.01 -0.00 -0.02 -0.04 6.97 6.90 1hmyA1 GLN 217 HE22 -0.01 -0.00 -0.02 -0.04 7.69 7.61 1hmyA1 GLU 218 H -0.02 0.09 0.12 -0.55 8.60 8.24 1hmyA1 GLU 218 HA -0.02 -0.06 0.38 -0.75 4.29 3.84 1hmyA1 GLU 218 HB2 -0.02 -0.04 0.14 -0.04 2.09 2.13 1hmyA1 GLU 218 HB3 -0.02 -0.00 0.11 -0.04 1.99 2.04 1hmyA1 GLU 218 HG2 -0.01 -0.04 0.00 -0.04 2.34 2.25 1hmyA1 GLU 218 HG3 -0.02 0.37 -0.15 -0.04 2.34 2.50 1hmyA1 ILE 219 H -0.03 0.02 0.18 -0.55 8.25 7.87 1hmyA1 ILE 219 HA -0.03 0.10 0.59 -0.75 4.18 4.08 1hmyA1 ILE 219 HB -0.05 -0.02 0.11 -0.04 1.89 1.90 1hmyA1 ILE 219 HG12 -0.03 -0.16 0.09 -0.04 1.49 1.34 1hmyA1 ILE 219 HG13 -0.06 0.01 -0.24 -0.04 1.21 0.89 1hmyA1 ILE 219 HG23 -0.03 0.01 0.04 -0.04 0.93 0.92 1hmyA1 ILE 219 HD13 -0.06 0.08 -0.03 -0.04 0.88 0.83 1hmyA1 GLU 220 H -0.03 0.11 0.18 -0.55 8.60 8.31 1hmyA1 GLU 220 HA -0.03 0.17 0.69 -0.75 4.29 4.36 1hmyA1 GLU 220 HB2 -0.03 -0.03 0.11 -0.04 2.09 2.11 1hmyA1 GLU 220 HB3 -0.03 0.01 0.04 -0.04 1.99 1.97 1hmyA1 GLU 220 HG2 -0.02 0.05 -0.09 -0.04 2.34 2.24 1hmyA1 GLU 220 HG3 -0.02 0.00 0.02 -0.04 2.34 2.30 1hmyA1 GLN 221 H -0.06 0.01 0.02 -0.55 8.47 7.90 1hmyA1 GLN 221 HA -0.08 0.17 0.90 -0.75 4.36 4.60 1hmyA1 GLN 221 HB2 -0.06 -0.05 0.04 -0.04 2.15 2.04 1hmyA1 GLN 221 HB3 -0.07 0.13 -0.00 -0.04 2.02 2.04 1hmyA1 GLN 221 HG2 -0.03 0.03 -0.02 -0.04 2.40 2.34 1hmyA1 GLN 221 HG3 -0.04 0.07 -0.09 -0.04 2.39 2.29 1hmyA1 GLN 221 HE21 -0.02 -0.01 -0.03 -0.04 6.97 6.87 1hmyA1 GLN 221 HE22 -0.02 0.07 -0.07 -0.04 7.69 7.62 1hmyA1 THR 222 H -0.20 0.09 0.15 -0.55 8.28 7.78 1hmyA1 THR 222 HA -0.38 0.35 0.58 -0.75 4.39 4.19 1hmyA1 THR 222 HB -1.74 0.03 -0.11 -0.04 4.32 2.46 1hmyA1 THR 222 HG23 -0.59 0.00 -0.04 -0.04 1.22 0.56 1hmyA1 THR 223 H -0.39 0.41 0.34 -0.55 8.28 8.09 1hmyA1 THR 223 HA -0.08 0.20 0.69 -0.75 4.39 4.45 1hmyA1 THR 223 HB -0.06 -0.04 0.06 -0.04 4.32 4.24 1hmyA1 THR 223 HG23 -0.01 -0.04 -0.08 -0.04 1.22 1.06 1hmyA1 PRO 224 HA 0.23 0.15 0.63 -0.51 4.44 4.94 1hmyA1 PRO 224 HB2 0.02 0.01 0.20 -0.04 2.28 2.47 1hmyA1 PRO 224 HB3 0.09 0.05 0.10 -0.04 2.02 2.22 1hmyA1 PRO 224 HG2 0.02 0.00 -0.05 -0.04 2.03 1.96 1hmyA1 PRO 224 HG3 0.03 0.05 0.05 -0.04 2.03 2.12 1hmyA1 PRO 224 HD2 0.03 0.09 0.15 -0.04 3.68 3.91 1hmyA1 PRO 224 HD3 0.12 0.16 0.05 -0.04 3.65 3.94 1hmyA1 LYS 225 H 0.04 0.24 -0.79 -0.55 8.42 7.36 1hmyA1 LYS 225 HA 0.02 0.21 0.87 -0.75 4.32 4.66 1hmyA1 LYS 225 HB2 0.01 -0.01 -0.14 -0.04 1.87 1.69 1hmyA1 LYS 225 HB3 0.01 0.01 0.01 -0.04 1.79 1.78 1hmyA1 LYS 225 HG2 0.00 0.02 -0.04 -0.04 1.46 1.40 1hmyA1 LYS 225 HG3 0.01 -0.02 -0.53 -0.04 1.46 0.88 1hmyA1 LYS 225 HD2 -0.00 -0.01 -0.09 -0.04 1.69 1.55 1hmyA1 LYS 225 HD3 0.00 0.01 -0.05 -0.04 1.68 1.61 1hmyA1 LYS 225 HE2 -0.00 0.02 -0.05 -0.04 2.99 2.91 1hmyA1 LYS 225 HE3 0.00 -0.02 -0.09 -0.04 2.99 2.85 1hmyA1 THR 226 H 0.01 0.18 0.10 -0.55 8.28 8.02 1hmyA1 THR 226 HA 0.01 0.14 0.61 -0.75 4.39 4.40 1hmyA1 THR 226 HB -0.01 -0.02 0.16 -0.04 4.32 4.41 1hmyA1 THR 226 HG23 0.06 -0.00 -0.04 -0.04 1.22 1.20 1hmyA1 VAL 227 H 0.10 0.19 0.15 -0.55 8.24 8.13 1hmyA1 VAL 227 HA 0.06 0.26 1.13 -0.75 4.13 4.82 1hmyA1 VAL 227 HB 0.01 0.03 -0.07 -0.04 2.12 2.05 1hmyA1 VAL 227 HG13 0.00 0.02 -0.13 -0.04 0.97 0.81 1hmyA1 VAL 227 HG23 0.03 -0.02 0.07 -0.04 0.95 0.99 1hmyA1 ARG 228 H 0.05 0.21 0.06 -0.55 8.46 8.22 1hmyA1 ARG 228 HA -0.32 0.08 0.56 -0.75 4.34 3.91 1hmyA1 ARG 228 HB2 -0.03 -0.02 0.08 -0.04 1.90 1.89 1hmyA1 ARG 228 HB3 -0.08 0.02 0.10 -0.04 1.80 1.80 1hmyA1 ARG 228 HG2 -0.26 0.02 0.00 -0.04 1.67 1.39 1hmyA1 ARG 228 HG3 -0.62 -0.05 0.04 -0.04 1.67 1.00 1hmyA1 ARG 228 HD2 -0.09 -0.00 -0.02 -0.04 3.22 3.07 1hmyA1 ARG 228 HD3 -0.16 0.06 0.06 -0.04 3.22 3.14 1hmyA1 LEU 229 H -0.25 0.61 0.47 -0.55 8.37 8.65 1hmyA1 LEU 229 HA -0.08 0.17 0.82 -0.75 4.35 4.51 1hmyA1 LEU 229 HB2 -0.13 -0.00 -0.06 -0.04 1.64 1.41 1hmyA1 LEU 229 HB3 -0.08 0.02 -0.05 -0.04 1.64 1.49 1hmyA1 LEU 229 HG -0.04 0.01 -0.09 -0.04 1.64 1.48 1hmyA1 LEU 229 HD13 -0.04 -0.03 -0.13 -0.04 0.93 0.70 1hmyA1 LEU 229 HD23 -0.03 -0.00 -0.27 -0.04 0.89 0.54 1hmyA1 GLY 230 H -0.23 0.30 0.28 -0.55 8.43 8.23 1hmyA1 GLY 230 HA2 -0.08 0.07 0.84 -0.51 4.01 4.32 1hmyA1 GLY 230 HA3 -0.09 0.01 0.33 -0.51 4.01 3.75 1hmyA1 ILE 231 H -0.05 0.36 0.25 -0.55 8.25 8.26 1hmyA1 ILE 231 HA -0.05 0.12 0.71 -0.75 4.18 4.20 1hmyA1 ILE 231 HB -0.05 -0.02 -0.18 -0.04 1.89 1.60 1hmyA1 ILE 231 HG12 -0.02 -0.07 0.22 -0.04 1.49 1.58 1hmyA1 ILE 231 HG13 -0.05 0.15 0.46 -0.04 1.21 1.73 1hmyA1 ILE 231 HG23 -0.01 0.02 -0.13 -0.04 0.93 0.76 1hmyA1 ILE 231 HD13 -0.06 0.04 0.06 -0.04 0.88 0.88 1hmyA1 VAL 232 H 0.02 0.54 0.35 -0.55 8.24 8.60 1hmyA1 VAL 232 HA 0.02 0.29 0.52 -0.75 4.13 4.21 1hmyA1 VAL 232 HB 0.14 -0.01 -0.21 -0.04 2.12 1.99 1hmyA1 VAL 232 HG13 -0.01 -0.06 -0.11 -0.04 0.97 0.75 1hmyA1 VAL 232 HG23 0.09 0.02 -0.18 -0.04 0.95 0.84 1hmyA1 GLY 233 H -0.00 0.11 0.12 -0.55 8.43 8.11 1hmyA1 GLY 233 HA2 -0.01 0.07 0.37 -0.51 4.01 3.94 1hmyA1 GLY 233 HA3 -0.00 -0.08 0.37 -0.51 4.01 3.78 1hmyA1 LYS 234 H 0.00 0.03 0.22 -0.55 8.42 8.12 1hmyA1 LYS 234 HA -0.00 0.20 0.63 -0.75 4.32 4.39 1hmyA1 LYS 234 HB2 0.00 -0.10 0.09 -0.04 1.87 1.82 1hmyA1 LYS 234 HB3 0.00 0.06 0.11 -0.04 1.79 1.92 1hmyA1 LYS 234 HG2 -0.00 0.07 -0.01 -0.04 1.46 1.47 1hmyA1 LYS 234 HG3 -0.00 -0.06 0.04 -0.04 1.46 1.40 1hmyA1 LYS 234 HD2 0.00 -0.02 0.01 -0.04 1.69 1.64 1hmyA1 LYS 234 HD3 0.00 0.03 0.02 -0.04 1.68 1.70 1hmyA1 LYS 234 HE2 -0.00 0.03 -0.00 -0.04 2.99 2.97 1hmyA1 LYS 234 HE3 -0.00 -0.02 -0.00 -0.04 2.99 2.93 1hmyA1 GLY 235 H 0.01 0.27 0.04 -0.55 8.43 8.20 1hmyA1 GLY 235 HA2 -0.00 0.12 0.40 -0.51 4.01 4.02 1hmyA1 GLY 235 HA3 -0.01 0.10 0.58 -0.51 4.01 4.17 1hmyA1 GLY 236 H 0.01 -0.11 -0.16 -0.55 8.43 7.63 1hmyA1 GLY 236 HA2 0.02 0.22 0.61 -0.51 4.01 4.35 1hmyA1 GLY 236 HA3 0.02 -0.01 0.27 -0.51 4.01 3.78 1hmyA1 GLN 237 H 0.03 0.13 0.10 -0.55 8.47 8.18 1hmyA1 GLN 237 HA 0.06 0.05 0.41 -0.75 4.36 4.13 1hmyA1 GLN 237 HB2 0.03 -0.02 0.14 -0.04 2.15 2.26 1hmyA1 GLN 237 HB3 0.04 0.11 0.04 -0.04 2.02 2.16 1hmyA1 GLN 237 HG2 0.04 0.05 0.03 -0.04 2.40 2.48 1hmyA1 GLN 237 HG3 0.03 -0.03 0.03 -0.04 2.39 2.38 1hmyA1 GLN 237 HE21 0.02 0.01 0.02 -0.04 6.97 6.98 1hmyA1 GLN 237 HE22 0.02 0.02 0.02 -0.04 7.69 7.71 1hmyA1 GLY 238 H 0.09 0.15 0.17 -0.55 8.43 8.30 1hmyA1 GLY 238 HA2 0.13 0.26 0.31 -0.51 4.01 4.20 1hmyA1 GLY 238 HA3 0.08 0.27 0.68 -0.51 4.01 4.53 1hmyA1 GLU 239 H 0.08 0.48 -0.45 -0.55 8.60 8.17 1hmyA1 GLU 239 HA 0.28 0.16 0.80 -0.75 4.29 4.77 1hmyA1 GLU 239 HB2 0.05 0.01 0.05 -0.04 2.09 2.16 1hmyA1 GLU 239 HB3 0.03 -0.07 -0.14 -0.04 1.99 1.77 1hmyA1 GLU 239 HG2 0.04 0.17 -0.51 -0.04 2.34 2.00 1hmyA1 GLU 239 HG3 0.03 -0.02 -0.03 -0.04 2.34 2.28 1hmyA1 ARG 240 H 0.08 0.15 -0.18 -0.55 8.46 7.96 1hmyA1 ARG 240 HA -0.14 0.24 0.89 -0.75 4.34 4.56 1hmyA1 ARG 240 HB2 -0.03 -0.10 0.06 -0.04 1.90 1.79 1hmyA1 ARG 240 HB3 -0.45 0.06 0.00 -0.04 1.80 1.36 1hmyA1 ARG 240 HG2 -0.08 0.11 -0.01 -0.04 1.67 1.65 1hmyA1 ARG 240 HG3 -0.01 0.02 -0.42 -0.04 1.67 1.22 1hmyA1 ARG 240 HD2 0.08 -0.16 -0.12 -0.04 3.22 2.98 1hmyA1 ARG 240 HD3 0.12 -0.03 -0.06 -0.04 3.22 3.21 1hmyA1 ILE 241 H -0.33 0.35 -0.02 -0.55 8.25 7.70 1hmyA1 ILE 241 HA -0.50 0.38 0.87 -0.75 4.18 4.18 1hmyA1 ILE 241 HB -0.22 -0.11 -0.05 -0.04 1.89 1.46 1hmyA1 ILE 241 HG12 -0.20 0.02 -0.26 -0.04 1.49 1.01 1hmyA1 ILE 241 HG13 -0.61 0.05 -0.34 -0.04 1.21 0.26 1hmyA1 ILE 241 HG23 -0.21 -0.01 -0.31 -0.04 0.93 0.36 1hmyA1 ILE 241 HD13 -0.01 -0.02 -0.41 -0.04 0.88 0.40 1hmyA1 TYR 242 H -0.42 0.71 0.42 -0.55 8.29 8.45 1hmyA1 TYR 242 HA -0.15 0.17 1.11 -0.75 4.56 4.93 1hmyA1 TYR 242 HB2 -0.65 0.05 0.02 -0.04 3.06 2.44 1hmyA1 TYR 242 HB3 -0.12 0.04 0.03 -0.04 2.98 2.88 1hmyA1 TYR 242 HD2 -0.28 0.05 -0.22 -0.04 7.15 6.65 1hmyA1 TYR 242 HE2 -0.10 -0.01 -0.11 -0.04 6.85 6.59 1hmyA1 SER 243 H 0.07 0.47 0.25 -0.55 8.46 8.70 1hmyA1 SER 243 HA 0.04 0.05 0.63 -0.75 4.49 4.46 1hmyA1 SER 243 HB2 0.00 0.06 0.08 -0.04 3.95 4.05 1hmyA1 SER 243 HB3 0.03 0.06 0.16 -0.04 3.93 4.14 1hmyA1 THR 244 H 0.08 0.24 0.16 -0.55 8.28 8.22 1hmyA1 THR 244 HA 0.12 0.14 0.30 -0.75 4.39 4.19 1hmyA1 THR 244 HB 0.02 -0.04 0.02 -0.04 4.32 4.28 1hmyA1 THR 244 HG23 0.05 0.02 -0.12 -0.04 1.22 1.13 1hmyA1 ARG 245 H 0.01 0.04 -0.57 -0.55 8.46 7.39 1hmyA1 ARG 245 HA -0.06 0.12 0.70 -0.75 4.34 4.35 1hmyA1 ARG 245 HB2 -0.06 -0.02 -0.05 -0.04 1.90 1.73 1hmyA1 ARG 245 HB3 -0.14 0.03 -0.04 -0.04 1.80 1.60 1hmyA1 ARG 245 HG2 -0.05 0.04 -0.10 -0.04 1.67 1.52 1hmyA1 ARG 245 HG3 -0.02 -0.14 -0.15 -0.04 1.67 1.32 1hmyA1 ARG 245 HD2 -0.04 0.03 -0.05 -0.04 3.22 3.12 1hmyA1 ARG 245 HD3 -0.06 0.05 -0.26 -0.04 3.22 2.91 1hmyA1 GLY 246 H 0.05 0.15 -0.59 -0.55 8.43 7.49 1hmyA1 GLY 246 HA2 -0.04 0.22 0.94 -0.51 4.01 4.63 1hmyA1 GLY 246 HA3 0.04 -0.02 0.44 -0.51 4.01 3.96 1hmyA1 ILE 247 H 0.07 0.34 0.18 -0.55 8.25 8.29 1hmyA1 ILE 247 HA 0.08 0.11 0.56 -0.75 4.18 4.18 1hmyA1 ILE 247 HB 0.03 -0.03 -0.34 -0.04 1.89 1.51 1hmyA1 ILE 247 HG12 0.11 -0.03 -0.26 -0.04 1.49 1.27 1hmyA1 ILE 247 HG13 0.03 0.04 -0.22 -0.04 1.21 1.02 1hmyA1 ILE 247 HG23 -0.01 0.02 -0.38 -0.04 0.93 0.51 1hmyA1 ILE 247 HD13 0.08 -0.01 -0.09 -0.04 0.88 0.82 1hmyA1 ALA 248 H -0.00 0.43 -0.02 -0.55 8.40 8.26 1hmyA1 ALA 248 HA 0.14 0.02 0.51 -0.75 4.34 4.25 1hmyA1 ALA 248 HB3 -0.06 0.05 0.15 -0.04 1.41 1.51 1hmyA1 ILE 249 H -0.08 0.11 0.11 -0.55 8.25 7.84 1hmyA1 ILE 249 HA -0.18 0.00 0.51 -0.75 4.18 3.77 1hmyA1 ILE 249 HB -0.19 0.03 -0.10 -0.04 1.89 1.59 1hmyA1 ILE 249 HG12 -0.30 -0.04 0.03 -0.04 1.49 1.13 1hmyA1 ILE 249 HG13 -0.09 0.11 -0.33 -0.04 1.21 0.85 1hmyA1 ILE 249 HG23 -0.72 -0.02 -0.01 -0.04 0.93 0.15 1hmyA1 ILE 249 HD13 -0.13 -0.02 -0.14 -0.04 0.88 0.55 1hmyA1 THR 250 H -0.08 0.01 0.13 -0.55 8.28 7.79 1hmyA1 THR 250 HA -0.04 0.11 0.21 -0.75 4.39 3.92 1hmyA1 THR 250 HB -0.03 -0.08 0.19 -0.04 4.32 4.36 1hmyA1 THR 250 HG23 -0.02 0.07 0.04 -0.04 1.22 1.26 1hmyA1 LEU 251 H -0.04 0.12 0.20 -0.55 8.37 8.10 1hmyA1 LEU 251 HA -0.05 0.15 0.45 -0.75 4.35 4.15 1hmyA1 LEU 251 HB2 -0.04 -0.02 0.08 -0.04 1.64 1.62 1hmyA1 LEU 251 HB3 -0.04 -0.00 -0.13 -0.04 1.64 1.42 1hmyA1 LEU 251 HG -0.09 -0.08 -0.05 -0.04 1.64 1.38 1hmyA1 LEU 251 HD13 -0.06 0.01 0.05 -0.04 0.93 0.88 1hmyA1 LEU 251 HD23 -0.07 0.00 -0.10 -0.04 0.89 0.68 1hmyA1 SER 252 H -0.05 0.38 0.28 -0.55 8.46 8.52 1hmyA1 SER 252 HA -0.06 0.22 0.88 -0.75 4.49 4.77 1hmyA1 SER 252 HB2 -0.02 -0.25 0.05 -0.04 3.95 3.69 1hmyA1 SER 252 HB3 -0.02 0.08 0.04 -0.04 3.93 3.99 1hmyA1 ALA 253 H -0.18 0.15 0.14 -0.55 8.40 7.96 1hmyA1 ALA 253 HA -0.18 0.21 0.70 -0.75 4.34 4.32 1hmyA1 ALA 253 HB3 -0.61 -0.00 0.04 -0.04 1.41 0.79 1hmyA1 TYR 254 H -0.11 0.03 0.04 -0.55 8.29 7.69 1hmyA1 TYR 254 HA 0.01 0.30 0.87 -0.75 4.56 4.99 1hmyA1 TYR 254 HB2 0.00 -0.02 0.09 -0.04 3.06 3.09 1hmyA1 TYR 254 HB3 0.01 0.02 0.16 -0.04 2.98 3.12 1hmyA1 TYR 254 HD2 0.00 0.06 -0.05 -0.04 7.15 7.12 1hmyA1 TYR 254 HE2 0.00 -0.00 -0.01 -0.04 6.85 6.80 1hmyA1 GLY 255 H 0.04 0.13 -0.30 -0.55 8.43 7.76 1hmyA1 GLY 255 HA2 0.06 0.04 0.46 -0.51 4.01 4.06 1hmyA1 GLY 255 HA3 0.04 0.10 0.25 -0.51 4.01 3.90 1hmyA1 GLY 256 H 0.04 0.07 0.13 -0.55 8.43 8.12 1hmyA1 GLY 256 HA2 0.04 0.20 0.80 -0.51 4.01 4.54 1hmyA1 GLY 256 HA3 0.03 -0.02 0.29 -0.51 4.01 3.80 1hmyA1 GLY 257 H 0.01 0.15 0.11 -0.55 8.43 8.16 1hmyA1 GLY 257 HA2 0.01 -0.01 0.24 -0.51 4.01 3.74 1hmyA1 GLY 257 HA3 0.04 0.24 0.82 -0.51 4.01 4.59 1hmyA1 ILE 258 H -0.05 0.14 -0.13 -0.55 8.25 7.67 1hmyA1 ILE 258 HA -0.16 0.09 0.36 -0.75 4.18 3.71 1hmyA1 ILE 258 HB -0.48 0.05 0.03 -0.04 1.89 1.45 1hmyA1 ILE 258 HG12 -0.11 0.01 -0.08 -0.04 1.49 1.27 1hmyA1 ILE 258 HG13 -0.09 -0.05 -0.04 -0.04 1.21 0.99 1hmyA1 ILE 258 HG23 -0.48 0.01 -0.08 -0.04 0.93 0.33 1hmyA1 ILE 258 HD13 -0.11 -0.00 -0.04 -0.04 0.88 0.69 1hmyA1 PHE 259 H 0.05 0.67 -0.08 -0.55 8.34 8.44 1hmyA1 PHE 259 HA 0.04 0.12 0.53 -0.75 4.62 4.55 1hmyA1 PHE 259 HB2 0.01 0.01 0.05 -0.04 3.15 3.17 1hmyA1 PHE 259 HB3 0.03 0.04 -0.46 -0.04 3.06 2.63 1hmyA1 PHE 259 HD2 0.01 0.07 -0.16 -0.04 7.28 7.16 1hmyA1 PHE 259 HE2 -0.01 0.04 -0.27 -0.04 7.38 7.10 1hmyA1 PHE 259 HZ -0.01 0.03 -0.20 -0.04 7.32 7.10 1hmyA1 ALA 260 H 0.08 0.26 -0.31 -0.55 8.40 7.89 1hmyA1 ALA 260 HA 0.07 0.11 -0.21 -0.75 4.34 3.56 1hmyA1 ALA 260 HB3 0.06 0.10 -0.06 -0.04 1.41 1.46 1hmyA1 LYS 261 H 0.01 0.01 0.01 -0.55 8.42 7.90 1hmyA1 LYS 261 HA -0.01 0.28 1.09 -0.75 4.32 4.92 1hmyA1 LYS 261 HB2 -0.15 -0.09 0.08 -0.04 1.87 1.67 1hmyA1 LYS 261 HB3 -0.06 0.41 0.15 -0.04 1.79 2.25 1hmyA1 LYS 261 HG2 0.03 -0.01 -0.29 -0.04 1.46 1.15 1hmyA1 LYS 261 HG3 0.07 -0.17 -0.21 -0.04 1.46 1.11 1hmyA1 LYS 261 HD2 0.19 -0.12 -0.02 -0.04 1.69 1.70 1hmyA1 LYS 261 HD3 0.04 0.20 -0.04 -0.04 1.68 1.84 1hmyA1 LYS 261 HE2 0.11 -0.10 -0.01 -0.04 2.99 2.95 1hmyA1 LYS 261 HE3 0.09 -0.03 0.05 -0.04 2.99 3.06 1hmyA1 THR 262 H -0.10 -0.05 0.01 -0.55 8.28 7.59 1hmyA1 THR 262 HA -0.09 0.16 0.51 -0.75 4.39 4.23 1hmyA1 THR 262 HB -0.04 0.00 0.05 -0.04 4.32 4.30 1hmyA1 THR 262 HG23 -0.50 0.02 0.02 -0.04 1.22 0.73 1hmyA1 GLY 263 H 0.08 0.01 -0.30 -0.55 8.43 7.67 1hmyA1 GLY 263 HA2 0.08 0.05 0.24 -0.51 4.01 3.88 1hmyA1 GLY 263 HA3 0.01 0.13 0.47 -0.51 4.01 4.11 1hmyA1 GLY 264 H -0.31 0.32 0.22 -0.55 8.43 8.12 1hmyA1 GLY 264 HA2 -0.30 0.32 0.94 -0.51 4.01 4.46 1hmyA1 GLY 264 HA3 -1.50 -0.04 0.18 -0.51 4.01 2.13 1hmyA1 TYR 265 H -0.06 0.84 0.34 -0.55 8.29 8.86 1hmyA1 TYR 265 HA -0.08 0.14 1.06 -0.75 4.56 4.93 1hmyA1 TYR 265 HB2 -0.04 0.05 -0.04 -0.04 3.06 2.98 1hmyA1 TYR 265 HB3 -0.03 -0.04 -0.15 -0.04 2.98 2.73 1hmyA1 TYR 265 HD2 -0.02 0.03 -0.33 -0.04 7.15 6.79 1hmyA1 TYR 265 HE2 -0.04 0.17 -0.22 -0.04 6.85 6.73 1hmyA1 LEU 266 H -0.01 0.38 0.15 -0.55 8.37 8.35 1hmyA1 LEU 266 HA -0.01 0.26 0.69 -0.75 4.35 4.53 1hmyA1 LEU 266 HB2 -0.05 -0.01 -0.04 -0.04 1.64 1.50 1hmyA1 LEU 266 HB3 -0.02 -0.04 0.16 -0.04 1.64 1.70 1hmyA1 LEU 266 HG -0.00 -0.10 -0.08 -0.04 1.64 1.42 1hmyA1 LEU 266 HD13 -0.01 0.06 -0.24 -0.04 0.93 0.70 1hmyA1 LEU 266 HD23 -0.02 0.01 -0.06 -0.04 0.89 0.77 1hmyA1 VAL 267 H 0.03 0.53 0.24 -0.55 8.24 8.49 1hmyA1 VAL 267 HA 0.02 0.13 1.05 -0.75 4.13 4.57 1hmyA1 VAL 267 HB 0.02 0.04 0.15 -0.04 2.12 2.28 1hmyA1 VAL 267 HG13 0.00 0.00 -0.13 -0.04 0.97 0.81 1hmyA1 VAL 267 HG23 0.04 0.01 -0.20 -0.04 0.95 0.77 1hmyA1 ASN 268 H 0.01 0.17 0.09 -0.55 8.53 8.26 1hmyA1 ASN 268 HA 0.00 0.03 0.33 -0.75 4.76 4.37 1hmyA1 ASN 268 HB2 0.01 0.26 0.13 -0.04 2.88 3.23 1hmyA1 ASN 268 HB3 0.00 0.00 0.21 -0.04 2.79 2.97 1hmyA1 ASN 268 HD21 0.00 0.03 -0.01 -0.04 7.03 7.01 1hmyA1 ASN 268 HD22 0.00 0.02 0.03 -0.04 7.74 7.75 1hmyA1 GLY 269 H 0.00 0.07 -0.10 -0.55 8.43 7.86 1hmyA1 GLY 269 HA2 0.00 -0.01 0.26 -0.51 4.01 3.75 1hmyA1 GLY 269 HA3 0.01 0.13 0.48 -0.51 4.01 4.11 1hmyA1 LYS 270 H 0.01 0.19 -0.60 -0.55 8.42 7.47 1hmyA1 LYS 270 HA 0.03 0.14 0.74 -0.75 4.32 4.47 1hmyA1 LYS 270 HB2 0.02 0.11 -0.06 -0.04 1.87 1.91 1hmyA1 LYS 270 HB3 0.03 -0.03 -0.04 -0.04 1.79 1.71 1hmyA1 LYS 270 HG2 0.02 0.01 -0.05 -0.04 1.46 1.40 1hmyA1 LYS 270 HG3 0.02 0.06 -0.40 -0.04 1.46 1.10 1hmyA1 LYS 270 HD2 0.02 -0.02 -0.04 -0.04 1.69 1.60 1hmyA1 LYS 270 HD3 0.02 -0.02 -0.05 -0.04 1.68 1.59 1hmyA1 LYS 270 HE2 0.01 0.06 -0.02 -0.04 2.99 3.00 1hmyA1 LYS 270 HE3 0.01 0.04 -0.04 -0.04 2.99 2.97 1hmyA1 THR 271 H 0.06 0.22 0.11 -0.55 8.28 8.11 1hmyA1 THR 271 HA 0.00 0.24 0.98 -0.75 4.39 4.86 1hmyA1 THR 271 HB 0.08 -0.01 -0.09 -0.04 4.32 4.25 1hmyA1 THR 271 HG23 -0.01 -0.02 -0.21 -0.04 1.22 0.93 1hmyA1 ARG 272 H 0.04 0.54 0.34 -0.55 8.46 8.82 1hmyA1 ARG 272 HA 0.20 0.24 1.03 -0.75 4.34 5.05 1hmyA1 ARG 272 HB2 0.08 0.05 -0.11 -0.04 1.90 1.88 1hmyA1 ARG 272 HB3 0.07 -0.10 -0.32 -0.04 1.80 1.40 1hmyA1 ARG 272 HG2 0.06 -0.06 0.01 -0.04 1.67 1.64 1hmyA1 ARG 272 HG3 0.07 0.21 -0.16 -0.04 1.67 1.75 1hmyA1 ARG 272 HD2 0.01 0.06 -0.10 -0.04 3.22 3.15 1hmyA1 ARG 272 HD3 0.02 -0.04 -0.13 -0.04 3.22 3.04 1hmyA1 LYS 273 H 0.17 0.32 0.19 -0.55 8.42 8.55 1hmyA1 LYS 273 HA 0.19 0.28 0.74 -0.75 4.32 4.78 1hmyA1 LYS 273 HB2 0.19 0.05 0.05 -0.04 1.87 2.11 1hmyA1 LYS 273 HB3 0.15 -0.11 0.16 -0.04 1.79 1.94 1hmyA1 LYS 273 HG2 0.46 -0.02 -0.05 -0.04 1.46 1.80 1hmyA1 LYS 273 HG3 0.24 0.12 0.07 -0.04 1.46 1.85 1hmyA1 LYS 273 HD2 0.17 -0.12 -0.01 -0.04 1.69 1.68 1hmyA1 LYS 273 HD3 0.22 -0.08 0.08 -0.04 1.68 1.86 1hmyA1 LYS 273 HE2 0.15 0.10 0.06 -0.04 2.99 3.26 1hmyA1 LYS 273 HE3 0.27 0.05 0.04 -0.04 2.99 3.30 1hmyA1 LEU 274 H 0.05 0.08 0.10 -0.55 8.37 8.06 1hmyA1 LEU 274 HA 0.02 0.16 0.71 -0.75 4.35 4.49 1hmyA1 LEU 274 HB2 -0.08 -0.04 0.02 -0.04 1.64 1.50 1hmyA1 LEU 274 HB3 -0.06 0.01 -0.02 -0.04 1.64 1.54 1hmyA1 LEU 274 HG -0.13 0.05 -0.14 -0.04 1.64 1.38 1hmyA1 LEU 274 HD13 -0.23 0.01 -0.10 -0.04 0.93 0.57 1hmyA1 LEU 274 HD23 -0.33 0.01 -0.12 -0.04 0.89 0.41 1hmyA1 HIS 275 H 0.13 0.11 0.16 -0.55 8.41 8.27 1hmyA1 HIS 275 HA 0.17 0.20 0.60 -0.75 4.63 4.84 1hmyA1 HIS 275 HB2 0.02 0.11 0.09 -0.04 3.26 3.44 1hmyA1 HIS 275 HB3 0.03 -0.11 0.12 -0.04 3.20 3.19 1hmyA1 HIS 275 HD2 0.11 0.08 0.06 -0.04 6.97 7.17 1hmyA1 HIS 275 HE1 0.07 0.05 0.02 -0.04 7.75 7.85 1hmyA1 PRO 276 HA 0.21 0.09 0.37 -0.51 4.44 4.60 1hmyA1 PRO 276 HB2 0.08 0.07 0.01 -0.04 2.28 2.40 1hmyA1 PRO 276 HB3 0.24 0.00 0.03 -0.04 2.02 2.26 1hmyA1 PRO 276 HG2 -0.17 0.03 0.09 -0.04 2.03 1.94 1hmyA1 PRO 276 HG3 0.10 0.09 0.05 -0.04 2.03 2.23 1hmyA1 PRO 276 HD2 -1.02 0.13 0.20 -0.04 3.68 2.94 1hmyA1 PRO 276 HD3 -0.22 0.19 0.24 -0.04 3.65 3.82 1hmyA1 ARG 277 H 0.62 0.13 -0.22 -0.55 8.46 8.42 1hmyA1 ARG 277 HA 0.10 0.15 0.48 -0.75 4.34 4.32 1hmyA1 ARG 277 HB2 0.19 0.02 0.07 -0.04 1.90 2.14 1hmyA1 ARG 277 HB3 0.10 -0.04 0.04 -0.04 1.80 1.86 1hmyA1 ARG 277 HG2 0.03 0.03 -0.00 -0.04 1.67 1.69 1hmyA1 ARG 277 HG3 0.02 0.06 -0.12 -0.04 1.67 1.58 1hmyA1 ARG 277 HD2 0.05 0.04 0.00 -0.04 3.22 3.27 1hmyA1 ARG 277 HD3 0.06 -0.08 0.15 -0.04 3.22 3.30 1hmyA1 GLU 278 H 0.13 0.05 -0.28 -0.55 8.60 7.96 1hmyA1 GLU 278 HA -0.05 0.22 0.36 -0.75 4.29 4.06 1hmyA1 GLU 278 HB2 0.02 0.06 0.18 -0.04 2.09 2.31 1hmyA1 GLU 278 HB3 -0.08 0.03 -0.04 -0.04 1.99 1.86 1hmyA1 GLU 278 HG2 -0.05 0.29 0.00 -0.04 2.34 2.54 1hmyA1 GLU 278 HG3 -0.01 -0.08 0.03 -0.04 2.34 2.24 1hmyA1 CYS 279 H -0.04 0.42 -0.13 -0.55 8.50 8.20 1hmyA1 CYS 279 HA -0.18 0.04 0.25 -0.75 4.58 3.94 1hmyA1 CYS 279 HB2 -0.10 0.03 0.05 -0.04 2.97 2.91 1hmyA1 CYS 279 HB3 -0.23 0.03 -0.14 -0.04 2.97 2.59 1hmyA1 ALA 280 H -0.44 0.49 -0.39 -0.55 8.40 7.51 1hmyA1 ALA 280 HA -1.47 -0.04 0.38 -0.75 4.34 2.46 1hmyA1 ALA 280 HB3 -0.24 0.04 0.08 -0.04 1.41 1.25 1hmyA1 ARG 281 H -0.14 0.61 -0.07 -0.55 8.46 8.31 1hmyA1 ARG 281 HA -0.03 0.13 0.27 -0.75 4.34 3.96 1hmyA1 ARG 281 HB2 -0.07 0.08 0.19 -0.04 1.90 2.06 1hmyA1 ARG 281 HB3 -0.05 -0.04 0.04 -0.04 1.80 1.71 1hmyA1 ARG 281 HG2 -0.01 -0.02 0.05 -0.04 1.67 1.65 1hmyA1 ARG 281 HG3 -0.02 0.08 0.09 -0.04 1.67 1.77 1hmyA1 ARG 281 HD2 -0.03 -0.07 -0.10 -0.04 3.22 2.98 1hmyA1 ARG 281 HD3 -0.03 0.03 0.06 -0.04 3.22 3.24 1hmyA1 VAL 282 H -0.15 0.46 -0.43 -0.55 8.24 7.57 1hmyA1 VAL 282 HA -0.07 0.05 0.45 -0.75 4.13 3.80 1hmyA1 VAL 282 HB -0.13 0.08 0.08 -0.04 2.12 2.10 1hmyA1 VAL 282 HG13 -0.08 -0.02 -0.08 -0.04 0.97 0.75 1hmyA1 VAL 282 HG23 -0.11 -0.01 -0.01 -0.04 0.95 0.78 1hmyA1 MET 283 H -0.11 0.67 -0.24 -0.55 8.47 8.24 1hmyA1 MET 283 HA 0.01 0.08 0.74 -0.75 4.52 4.59 1hmyA1 MET 283 HB2 -0.03 0.12 0.20 -0.04 2.15 2.40 1hmyA1 MET 283 HB3 0.25 -0.07 0.14 -0.04 2.03 2.31 1hmyA1 MET 283 HG2 -0.12 0.12 -0.06 -0.04 2.63 2.53 1hmyA1 MET 283 HG3 0.08 -0.07 0.01 -0.04 2.56 2.54 1hmyA1 MET 283 HE3 0.08 0.01 -0.35 -0.04 2.10 1.80 1hmyA1 GLY 284 H -0.00 0.38 -0.19 -0.55 8.43 8.08 1hmyA1 GLY 284 HA2 -0.01 0.14 0.29 -0.51 4.01 3.91 1hmyA1 GLY 284 HA3 -0.03 -0.13 0.81 -0.51 4.01 4.14 1hmyA1 TYR 285 H 0.29 0.16 -0.20 -0.55 8.29 7.99 1hmyA1 TYR 285 HA -0.04 0.06 0.35 -0.75 4.56 4.18 1hmyA1 TYR 285 HB2 -0.09 -0.09 -0.02 -0.04 3.06 2.82 1hmyA1 TYR 285 HB3 -0.02 0.09 -0.02 -0.04 2.98 2.99 1hmyA1 TYR 285 HD2 -0.47 0.05 -0.05 -0.04 7.15 6.64 1hmyA1 TYR 285 HE2 -0.31 0.10 -0.05 -0.04 6.85 6.55 1hmyA1 PRO 286 HA 0.05 0.18 0.63 -0.51 4.44 4.80 1hmyA1 PRO 286 HB2 0.07 -0.10 -0.01 -0.04 2.28 2.20 1hmyA1 PRO 286 HB3 0.04 0.18 0.09 -0.04 2.02 2.29 1hmyA1 PRO 286 HG2 0.19 -0.14 0.11 -0.04 2.03 2.15 1hmyA1 PRO 286 HG3 0.09 0.09 0.04 -0.04 2.03 2.21 1hmyA1 PRO 286 HD2 0.04 -0.00 0.21 -0.04 3.68 3.88 1hmyA1 PRO 286 HD3 -0.03 0.26 0.15 -0.04 3.65 3.99 1hmyA1 ASP 287 H 0.05 0.22 0.13 -0.55 8.40 8.25 1hmyA1 ASP 287 HA 0.09 0.08 0.24 -0.75 4.63 4.28 1hmyA1 ASP 287 HB2 0.04 -0.00 0.05 -0.04 2.71 2.76 1hmyA1 ASP 287 HB3 0.04 -0.01 0.11 -0.04 2.70 2.80 1hmyA1 SER 288 H 0.09 0.02 -0.91 -0.55 8.46 7.12 1hmyA1 SER 288 HA 0.04 0.13 0.64 -0.75 4.49 4.55 1hmyA1 SER 288 HB2 0.06 0.04 -0.09 -0.04 3.95 3.92 1hmyA1 SER 288 HB3 0.03 0.01 0.06 -0.04 3.93 3.99 1hmyA1 TYR 289 H 0.23 0.62 -0.04 -0.55 8.29 8.56 1hmyA1 TYR 289 HA -0.00 0.06 0.56 -0.75 4.56 4.42 1hmyA1 TYR 289 HB2 0.17 0.00 0.10 -0.04 3.06 3.29 1hmyA1 TYR 289 HB3 0.20 -0.01 0.08 -0.04 2.98 3.21 1hmyA1 TYR 289 HD2 0.08 -0.05 -0.18 -0.04 7.15 6.96 1hmyA1 TYR 289 HE2 -0.16 -0.05 -0.06 -0.04 6.85 6.53 1hmyA1 LYS 290 H -0.32 0.21 0.12 -0.55 8.42 7.87 1hmyA1 LYS 290 HA -0.03 0.01 0.48 -0.75 4.32 4.03 1hmyA1 LYS 290 HB2 -0.21 0.01 0.07 -0.04 1.87 1.70 1hmyA1 LYS 290 HB3 -0.10 0.00 -0.04 -0.04 1.79 1.61 1hmyA1 LYS 290 HG2 -0.05 -0.02 -0.04 -0.04 1.46 1.31 1hmyA1 LYS 290 HG3 -0.10 0.13 0.04 -0.04 1.46 1.49 1hmyA1 LYS 290 HD2 -0.08 0.09 0.03 -0.04 1.69 1.68 1hmyA1 LYS 290 HD3 -0.06 -0.05 -0.00 -0.04 1.68 1.53 1hmyA1 LYS 290 HE2 -0.03 -0.03 -0.00 -0.04 2.99 2.89 1hmyA1 LYS 290 HE3 -0.04 0.04 0.02 -0.04 2.99 2.97 1hmyA1 VAL 291 H 0.05 0.10 0.12 -0.55 8.24 7.97 1hmyA1 VAL 291 HA 0.08 0.14 0.56 -0.75 4.13 4.15 1hmyA1 VAL 291 HB 0.13 0.02 -0.13 -0.04 2.12 2.09 1hmyA1 VAL 291 HG13 0.33 -0.01 -0.04 -0.04 0.97 1.21 1hmyA1 VAL 291 HG23 0.18 0.04 -0.02 -0.04 0.95 1.11 1hmyA1 HIS 292 H 0.10 0.05 0.09 -0.55 8.41 8.10 1hmyA1 HIS 292 HA -0.01 0.22 0.45 -0.75 4.63 4.54 1hmyA1 HIS 292 HB2 -0.02 0.06 0.08 -0.04 3.26 3.34 1hmyA1 HIS 292 HB3 -0.04 -0.12 0.06 -0.04 3.20 3.06 1hmyA1 HIS 292 HD2 0.09 0.14 0.04 -0.04 6.97 7.20 1hmyA1 HIS 292 HE1 0.09 0.02 0.01 -0.04 7.75 7.83 1hmyA1 PRO 293 HA -0.03 0.10 0.34 -0.51 4.44 4.34 1hmyA1 PRO 293 HB2 -0.11 -0.05 0.04 -0.04 2.28 2.12 1hmyA1 PRO 293 HB3 -0.07 0.05 0.09 -0.04 2.02 2.05 1hmyA1 PRO 293 HG2 -0.21 0.05 0.08 -0.04 2.03 1.90 1hmyA1 PRO 293 HG3 -0.12 0.11 0.10 -0.04 2.03 2.08 1hmyA1 PRO 293 HD2 -1.02 0.03 0.19 -0.04 3.68 2.84 1hmyA1 PRO 293 HD3 -0.27 0.32 0.25 -0.04 3.65 3.91 1hmyA1 SER 294 H 0.58 0.07 -0.35 -0.55 8.46 8.21 1hmyA1 SER 294 HA 0.01 0.17 0.76 -0.75 4.49 4.68 1hmyA1 SER 294 HB2 0.10 0.11 0.06 -0.04 3.95 4.18 1hmyA1 SER 294 HB3 0.05 -0.03 0.15 -0.04 3.93 4.06 1hmyA1 THR 295 H -0.09 0.31 0.19 -0.55 8.28 8.14 1hmyA1 THR 295 HA -0.20 0.08 0.20 -0.75 4.39 3.72 1hmyA1 THR 295 HB -0.38 0.01 0.15 -0.04 4.32 4.06 1hmyA1 THR 295 HG23 -0.12 0.04 0.10 -0.04 1.22 1.20 1hmyA1 SER 296 H -0.17 0.07 -0.40 -0.55 8.46 7.40 1hmyA1 SER 296 HA -0.28 0.17 0.69 -0.75 4.49 4.31 1hmyA1 SER 296 HB2 -0.07 0.05 0.10 -0.04 3.95 3.99 1hmyA1 SER 296 HB3 -0.11 0.03 0.05 -0.04 3.93 3.86 1hmyA1 GLN 297 H -0.18 0.56 -0.08 -0.55 8.47 8.22 1hmyA1 GLN 297 HA -0.22 0.10 0.61 -0.75 4.36 4.09 1hmyA1 GLN 297 HB2 -0.34 0.20 0.22 -0.04 2.15 2.19 1hmyA1 GLN 297 HB3 -0.47 -0.02 -0.01 -0.04 2.02 1.48 1hmyA1 GLN 297 HG2 -0.41 -0.04 -0.00 -0.04 2.40 1.91 1hmyA1 GLN 297 HG3 -0.86 0.01 0.03 -0.04 2.39 1.52 1hmyA1 GLN 297 HE21 -0.43 0.01 -0.03 -0.04 6.97 6.49 1hmyA1 GLN 297 HE22 -0.42 0.00 -0.08 -0.04 7.69 7.16 1hmyA1 ALA 298 H -0.10 0.42 0.01 -0.55 8.40 8.19 1hmyA1 ALA 298 HA -0.11 -0.01 0.29 -0.75 4.34 3.75 1hmyA1 ALA 298 HB3 0.09 0.07 0.05 -0.04 1.41 1.57 1hmyA1 TYR 299 H 0.06 0.17 -0.68 -0.55 8.29 7.29 1hmyA1 TYR 299 HA 0.08 0.05 0.29 -0.75 4.56 4.22 1hmyA1 TYR 299 HB2 -0.01 0.09 0.07 -0.04 3.06 3.17 1hmyA1 TYR 299 HB3 0.00 0.04 -0.03 -0.04 2.98 2.95 1hmyA1 TYR 299 HD2 0.05 -0.07 -0.09 -0.04 7.15 7.00 1hmyA1 TYR 299 HE2 0.02 -0.07 -0.08 -0.04 6.85 6.68 1hmyA1 LYS 300 H 0.05 0.30 -0.06 -0.55 8.42 8.15 1hmyA1 LYS 300 HA -0.09 0.09 0.46 -0.75 4.32 4.02 1hmyA1 LYS 300 HB2 -0.01 0.09 0.20 -0.04 1.87 2.11 1hmyA1 LYS 300 HB3 -0.06 -0.00 0.18 -0.04 1.79 1.86 1hmyA1 LYS 300 HG2 -0.07 -0.05 -0.12 -0.04 1.46 1.18 1hmyA1 LYS 300 HG3 -0.08 0.03 0.04 -0.04 1.46 1.41 1hmyA1 LYS 300 HD2 0.05 0.03 0.02 -0.04 1.69 1.75 1hmyA1 LYS 300 HD3 -0.02 -0.06 -0.02 -0.04 1.68 1.54 1hmyA1 LYS 300 HE2 0.17 -0.04 -0.02 -0.04 2.99 3.06 1hmyA1 LYS 300 HE3 0.45 0.03 -0.01 -0.04 2.99 3.41 1hmyA1 GLN 301 H -0.07 0.57 -0.31 -0.55 8.47 8.12 1hmyA1 GLN 301 HA -0.07 -0.00 0.43 -0.75 4.36 3.97 1hmyA1 GLN 301 HB2 -0.26 0.10 0.07 -0.04 2.15 2.01 1hmyA1 GLN 301 HB3 -0.26 -0.02 -0.02 -0.04 2.02 1.67 1hmyA1 GLN 301 HG2 -0.05 -0.07 -0.06 -0.04 2.40 2.18 1hmyA1 GLN 301 HG3 -0.10 0.02 -0.06 -0.04 2.39 2.21 1hmyA1 GLN 301 HE21 -0.02 0.08 -0.21 -0.04 6.97 6.78 1hmyA1 GLN 301 HE22 -0.02 -0.11 -0.23 -0.04 7.69 7.29 1hmyA1 PHE 302 H -0.12 0.60 0.05 -0.55 8.34 8.31 1hmyA1 PHE 302 HA -0.11 -0.05 0.23 -0.75 4.62 3.94 1hmyA1 PHE 302 HB2 -0.03 0.13 0.05 -0.04 3.15 3.26 1hmyA1 PHE 302 HB3 -0.08 0.04 -0.04 -0.04 3.06 2.94 1hmyA1 PHE 302 HD2 -0.20 -0.00 -0.02 -0.04 7.28 7.02 1hmyA1 PHE 302 HE2 -0.86 -0.02 -0.02 -0.04 7.38 6.44 1hmyA1 PHE 302 HZ -0.18 0.06 -0.05 -0.04 7.32 7.12 1hmyA1 GLY 303 H 0.01 0.24 -1.00 -0.55 8.43 7.13 1hmyA1 GLY 303 HA2 -0.00 0.18 0.54 -0.51 4.01 4.22 1hmyA1 GLY 303 HA3 -0.05 -0.00 -0.12 -0.51 4.01 3.33 1hmyA1 ASN 304 H -0.04 0.59 0.02 -0.55 8.53 8.55 1hmyA1 ASN 304 HA -0.07 0.11 0.84 -0.75 4.76 4.89 1hmyA1 ASN 304 HB2 -0.07 0.21 0.26 -0.04 2.88 3.23 1hmyA1 ASN 304 HB3 -0.01 -0.09 0.16 -0.04 2.79 2.82 1hmyA1 ASN 304 HD21 0.07 -0.07 0.06 -0.04 7.03 7.05 1hmyA1 ASN 304 HD22 0.03 -0.04 0.06 -0.04 7.74 7.75 1hmyA1 SER 305 H 0.02 0.11 -0.42 -0.55 8.46 7.62 1hmyA1 SER 305 HA 0.05 0.04 0.34 -0.75 4.49 4.17 1hmyA1 SER 305 HB2 0.06 0.07 -0.04 -0.04 3.95 4.00 1hmyA1 SER 305 HB3 0.17 0.20 -0.02 -0.04 3.93 4.24 1hmyA1 VAL 306 H 0.12 0.09 0.13 -0.55 8.24 8.03 1hmyA1 VAL 306 HA -0.05 0.19 0.70 -0.75 4.13 4.21 1hmyA1 VAL 306 HB -0.09 -0.11 -0.01 -0.04 2.12 1.88 1hmyA1 VAL 306 HG13 -0.19 -0.02 -0.33 -0.04 0.97 0.39 1hmyA1 VAL 306 HG23 -0.42 0.03 -0.11 -0.04 0.95 0.41 1hmyA1 VAL 307 H 0.00 0.15 0.08 -0.55 8.24 7.92 1hmyA1 VAL 307 HA 0.02 0.42 0.81 -0.75 4.13 4.62 1hmyA1 VAL 307 HB 0.06 -0.10 0.19 -0.04 2.12 2.24 1hmyA1 VAL 307 HG13 0.03 -0.02 -0.09 -0.04 0.97 0.84 1hmyA1 VAL 307 HG23 0.04 0.03 0.02 -0.04 0.95 0.99 1hmyA1 ILE 308 H -0.10 0.54 0.19 -0.55 8.25 8.34 1hmyA1 ILE 308 HA -0.16 -0.06 0.19 -0.75 4.18 3.39 1hmyA1 ILE 308 HB -0.18 0.11 0.06 -0.04 1.89 1.84 1hmyA1 ILE 308 HG12 -0.61 0.12 -0.05 -0.04 1.49 0.91 1hmyA1 ILE 308 HG13 -0.65 0.06 -0.13 -0.04 1.21 0.45 1hmyA1 ILE 308 HG23 -0.15 -0.00 -0.20 -0.04 0.93 0.54 1hmyA1 ILE 308 HD13 -0.39 -0.04 -0.06 -0.04 0.88 0.35 1hmyA1 ASN 309 H -0.05 0.25 -0.08 -0.55 8.53 8.10 1hmyA1 ASN 309 HA -0.11 0.01 0.31 -0.75 4.76 4.21 1hmyA1 ASN 309 HB2 0.08 -0.02 0.02 -0.04 2.88 2.91 1hmyA1 ASN 309 HB3 0.14 0.09 -0.01 -0.04 2.79 2.97 1hmyA1 ASN 309 HD21 0.02 0.11 -0.11 -0.04 7.03 7.02 1hmyA1 ASN 309 HD22 0.12 0.07 -0.05 -0.04 7.74 7.84 1hmyA1 VAL 310 H 0.02 0.18 -0.27 -0.55 8.24 7.62 1hmyA1 VAL 310 HA 0.01 0.05 0.34 -0.75 4.13 3.77 1hmyA1 VAL 310 HB -0.05 0.11 0.08 -0.04 2.12 2.22 1hmyA1 VAL 310 HG13 -0.66 -0.00 -0.12 -0.04 0.97 0.14 1hmyA1 VAL 310 HG23 -0.07 -0.00 -0.05 -0.04 0.95 0.79 1hmyA1 LEU 311 H -0.04 0.43 -0.17 -0.55 8.37 8.04 1hmyA1 LEU 311 HA 0.13 -0.00 0.32 -0.75 4.35 4.04 1hmyA1 LEU 311 HB2 -0.10 0.18 0.07 -0.04 1.64 1.74 1hmyA1 LEU 311 HB3 -0.04 -0.05 -0.13 -0.04 1.64 1.38 1hmyA1 LEU 311 HG -0.30 0.00 -0.06 -0.04 1.64 1.24 1hmyA1 LEU 311 HD13 -0.01 0.03 -0.11 -0.04 0.93 0.80 1hmyA1 LEU 311 HD23 -0.72 -0.02 -0.25 -0.04 0.89 -0.14 1hmyA1 GLN 312 H -0.06 0.50 -0.25 -0.55 8.47 8.11 1hmyA1 GLN 312 HA 0.01 0.00 0.35 -0.75 4.36 3.97 1hmyA1 GLN 312 HB2 -0.24 0.18 0.09 -0.04 2.15 2.14 1hmyA1 GLN 312 HB3 -0.19 -0.03 -0.11 -0.04 2.02 1.65 1hmyA1 GLN 312 HG2 -0.04 0.05 -0.02 -0.04 2.40 2.35 1hmyA1 GLN 312 HG3 -0.08 0.00 -0.10 -0.04 2.39 2.17 1hmyA1 GLN 312 HE21 -0.05 0.38 0.06 -0.04 6.97 7.32 1hmyA1 GLN 312 HE22 -0.03 -0.01 -0.01 -0.04 7.69 7.59 1hmyA1 TYR 313 H -0.04 0.45 -0.08 -0.55 8.29 8.07 1hmyA1 TYR 313 HA 0.02 0.05 0.59 -0.75 4.56 4.46 1hmyA1 TYR 313 HB2 -0.09 0.06 0.14 -0.04 3.06 3.12 1hmyA1 TYR 313 HB3 -0.00 -0.04 0.03 -0.04 2.98 2.92 1hmyA1 TYR 313 HD2 -0.03 -0.03 -0.04 -0.04 7.15 7.00 1hmyA1 TYR 313 HE2 0.08 0.04 -0.07 -0.04 6.85 6.87 1hmyA1 ILE 314 H 0.10 0.52 -0.08 -0.55 8.25 8.24 1hmyA1 ILE 314 HA 0.11 0.04 0.27 -0.75 4.18 3.84 1hmyA1 ILE 314 HB 0.21 0.08 0.00 -0.04 1.89 2.14 1hmyA1 ILE 314 HG12 0.01 -0.05 0.01 -0.04 1.49 1.42 1hmyA1 ILE 314 HG13 -0.06 0.41 0.10 -0.04 1.21 1.62 1hmyA1 ILE 314 HG23 0.09 -0.02 -0.15 -0.04 0.93 0.81 1hmyA1 ILE 314 HD13 -0.09 -0.03 -0.08 -0.04 0.88 0.63 1hmyA1 ALA 315 H 0.14 0.45 -0.30 -0.55 8.40 8.14 1hmyA1 ALA 315 HA -0.05 0.04 0.42 -0.75 4.34 3.99 1hmyA1 ALA 315 HB3 0.15 0.01 -0.00 -0.04 1.41 1.52 1hmyA1 TYR 316 H 0.19 0.50 -0.16 -0.55 8.29 8.27 1hmyA1 TYR 316 HA 0.02 -0.01 0.38 -0.75 4.56 4.20 1hmyA1 TYR 316 HB2 0.01 0.10 0.20 -0.04 3.06 3.32 1hmyA1 TYR 316 HB3 0.05 0.11 0.22 -0.04 2.98 3.32 1hmyA1 TYR 316 HD2 0.02 0.04 -0.04 -0.04 7.15 7.13 1hmyA1 TYR 316 HE2 0.01 0.03 0.08 -0.04 6.85 6.93 1hmyA1 ASN 317 H 0.23 0.50 -0.18 -0.55 8.53 8.53 1hmyA1 ASN 317 HA 0.10 -0.05 0.31 -0.75 4.76 4.37 1hmyA1 ASN 317 HB2 0.12 0.11 0.04 -0.04 2.88 3.10 1hmyA1 ASN 317 HB3 0.03 -0.02 0.12 -0.04 2.79 2.88 1hmyA1 ASN 317 HD21 -0.03 -0.13 -0.12 -0.04 7.03 6.71 1hmyA1 ASN 317 HD22 -0.16 0.65 0.08 -0.04 7.74 8.28 1hmyA1 ILE 318 H 0.03 0.56 -0.90 -0.55 8.25 7.39 1hmyA1 ILE 318 HA 0.17 0.03 0.70 -0.75 4.18 4.32 1hmyA1 ILE 318 HB -0.07 0.24 0.14 -0.04 1.89 2.16 1hmyA1 ILE 318 HG12 -0.32 -0.08 -0.08 -0.04 1.49 0.97 1hmyA1 ILE 318 HG13 -0.04 0.24 -0.13 -0.04 1.21 1.24 1hmyA1 ILE 318 HG23 -0.06 -0.03 -0.15 -0.04 0.93 0.64 1hmyA1 ILE 318 HD13 -0.67 -0.06 -0.14 -0.04 0.88 -0.03 1hmyA1 GLY 319 H -0.07 0.43 0.13 -0.55 8.43 8.37 1hmyA1 GLY 319 HA2 -0.03 0.07 0.47 -0.51 4.01 4.01 1hmyA1 GLY 319 HA3 -0.14 0.04 0.40 -0.51 4.01 3.81 1hmyA1 SER 320 H -0.20 0.44 0.01 -0.55 8.46 8.17 1hmyA1 SER 320 HA -0.08 -0.01 0.14 -0.75 4.49 3.79 1hmyA1 SER 320 HB2 -0.03 0.02 0.05 -0.04 3.95 3.94 1hmyA1 SER 320 HB3 -0.04 0.02 -0.02 -0.04 3.93 3.84 1hmyA1 SER 321 H 0.02 0.27 -0.25 -0.55 8.46 7.96 1hmyA1 SER 321 HA -0.05 -0.01 0.26 -0.75 4.49 3.94 1hmyA1 SER 321 HB2 0.05 0.10 0.07 -0.04 3.95 4.12 1hmyA1 SER 321 HB3 -0.26 -0.05 -0.06 -0.04 3.93 3.52 1hmyA1 LEU 322 H 0.00 0.59 -0.39 -0.55 8.37 8.04 1hmyA1 LEU 322 HA -0.05 0.05 0.51 -0.75 4.35 4.11 1hmyA1 LEU 322 HB2 0.03 0.24 0.17 -0.04 1.64 2.03 1hmyA1 LEU 322 HB3 0.02 -0.10 0.06 -0.04 1.64 1.58 1hmyA1 LEU 322 HG 0.19 -0.01 -0.02 -0.04 1.64 1.76 1hmyA1 LEU 322 HD13 0.10 -0.03 -0.05 -0.04 0.93 0.91 1hmyA1 LEU 322 HD23 0.05 -0.01 0.01 -0.04 0.89 0.89 1hmyA1 ASN 323 H 0.01 0.66 -0.12 -0.55 8.53 8.53 1hmyA1 ASN 323 HA -0.01 0.12 0.82 -0.75 4.76 4.94 1hmyA1 ASN 323 HB2 -0.01 0.09 -0.03 -0.04 2.88 2.89 1hmyA1 ASN 323 HB3 0.00 -0.13 0.07 -0.04 2.79 2.69 1hmyA1 ASN 323 HD21 -0.03 0.03 -0.04 -0.04 7.03 6.95 1hmyA1 ASN 323 HD22 -0.04 -0.12 -0.06 -0.04 7.74 7.47 1hmyA1 PHE 324 H 0.11 0.36 -0.36 -0.55 8.34 7.90 1hmyA1 PHE 324 HA -0.05 0.05 0.68 -0.75 4.62 4.55 1hmyA1 PHE 324 HB2 -0.05 -0.01 -0.05 -0.04 3.15 3.00 1hmyA1 PHE 324 HB3 -0.07 0.09 0.17 -0.04 3.06 3.22 1hmyA1 PHE 324 HD2 -0.04 0.03 -0.00 -0.04 7.28 7.22 1hmyA1 PHE 324 HE2 -0.02 -0.03 -0.03 -0.04 7.38 7.25 1hmyA1 PHE 324 HZ -0.02 -0.05 -0.03 -0.04 7.32 7.18 1hmyA1 LYS 325 H -0.21 0.29 -0.14 -0.55 8.42 7.80 1hmyA1 LYS 325 HA -0.18 0.22 0.79 -0.75 4.32 4.40 1hmyA1 LYS 325 HB2 -0.13 -0.01 0.00 -0.04 1.87 1.70 1hmyA1 LYS 325 HB3 -0.17 -0.06 0.07 -0.04 1.79 1.59 1hmyA1 LYS 325 HG2 -0.09 0.04 0.10 -0.04 1.46 1.47 1hmyA1 LYS 325 HG3 -0.06 0.10 -0.22 -0.04 1.46 1.24 1hmyA1 LYS 325 HD2 -0.07 0.01 -0.02 -0.04 1.69 1.58 1hmyA1 LYS 325 HD3 -0.09 -0.09 0.00 -0.04 1.68 1.47 1hmyA1 LYS 325 HE2 -0.06 0.04 0.05 -0.04 2.99 2.98 1hmyA1 LYS 325 HE3 -0.06 0.07 0.04 -0.04 2.99 3.00 1hmyA1 PRO 326 HA -0.32 0.09 0.73 -0.51 4.44 4.43 1hmyA1 PRO 326 HB2 -0.18 -0.05 -0.03 -0.04 2.28 1.98 1hmyA1 PRO 326 HB3 -0.50 0.03 0.01 -0.04 2.02 1.51 1hmyA1 PRO 326 HG2 -0.17 0.01 -0.02 -0.04 2.03 1.81 1hmyA1 PRO 326 HG3 -0.41 0.03 -0.02 -0.04 2.03 1.60 1hmyA1 PRO 326 HD2 -0.23 0.17 0.15 -0.04 3.68 3.73 1hmyA1 PRO 326 HD3 -0.78 0.16 -0.33 -0.04 3.65 2.66 1hmyA1 TYR 327 H -0.04 0.11 0.05 -0.55 8.29 7.86 1hmyA1 TYR 327 HA -0.06 0.15 0.19 -0.75 4.56 4.09 1hmyA1 TYR 327 HB2 -0.05 -0.02 0.10 -0.04 3.06 3.05 1hmyA1 TYR 327 HB3 -0.04 0.01 0.07 -0.04 2.98 2.98 1hmyA1 TYR 327 HD2 -0.04 -0.00 0.03 -0.04 7.15 7.09 1hmyA1 TYR 327 HE2 -0.03 -0.00 0.00 -0.04 6.85 6.78