============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. HIS 1 0.900 29.227 84.058 42.727 -99.200 -91.000 HIS 4 0.900 34.703 75.076 35.338 -99.200 -91.000 PHE 15 1.000 40.385 74.909 28.173 -99.200 -91.000 HIS 19 0.900 28.475 66.496 16.339 -99.200 -91.000 PHE 21 1.000 26.621 70.726 26.221 -99.200 -91.000 PHE 30 1.000 22.754 67.773 30.804 -99.200 -91.000 PHE 38 1.000 34.486 62.914 29.772 -99.200 -91.000 HIS 57 0.900 20.594 63.311 23.391 -99.200 -91.000 HIS 59 0.900 21.254 60.871 19.154 -99.200 -91.000 TYR 60 0.840 27.682 60.120 17.616 -99.200 -91.000 HIS 62 0.900 24.588 64.942 23.423 -99.200 -91.000 TYR 68 0.840 37.558 57.389 26.262 -99.200 -91.000 TRP 75 1.040 22.163 60.348 38.695 -99.200 -91.000 TRP6 75 1.020 20.362 60.599 40.199 -99.200 -91.000 TYR 85 0.840 20.463 51.562 13.939 -99.200 -91.000 TYR 90 0.840 24.906 51.949 17.438 -99.200 -91.000 TRP 95 1.040 23.123 52.755 26.621 -99.200 -91.000 TRP6 95 1.020 23.666 54.579 28.007 -99.200 -91.000 TYR 100 0.840 32.549 44.464 33.227 -99.200 -91.000 TYR 101 0.840 34.807 48.564 32.128 -99.200 -91.000 PHE 106 1.000 18.687 51.884 34.130 -99.200 -91.000 PHE 118 1.000 14.180 70.181 41.811 -99.200 -91.000 PHE 134 1.000 17.985 62.592 14.989 -99.200 -91.000 PHE 135 1.000 14.103 55.959 10.848 -99.200 -91.000 PHE 147 1.000 15.737 61.838 19.705 -99.200 -91.000 HIS 169 0.900 17.888 64.899 19.464 -99.200 -91.000 PHE 183 1.000 11.437 73.140 38.656 -99.200 -91.000 PHE 193 1.000 19.353 76.259 23.065 -99.200 -91.000 HIS 194 0.900 19.351 68.199 16.156 -99.200 -91.000 PHE 210 1.000 15.414 80.038 24.647 -99.200 -91.000 HIS 222 0.900 26.423 68.536 20.474 -99.200 -91.000 PHE 232 1.000 18.047 81.448 20.645 -99.200 -91.000 PHE 236 1.000 17.487 85.820 24.940 -99.200 -91.000 TYR 243 0.840 34.884 79.779 25.065 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3h3eA1 HIS 0 HA -0.00 -0.07 0.07 -0.75 4.63 3.87 3h3eA1 HIS 0 HB2 -0.00 -0.01 -0.01 -0.04 3.26 3.20 3h3eA1 HIS 0 HB3 -0.01 0.04 -0.00 -0.04 3.20 3.19 3h3eA1 HIS 0 HD2 -0.00 -0.01 -0.01 -0.04 6.97 6.90 3h3eA1 HIS 0 HE1 -0.01 0.02 -0.16 -0.04 7.75 7.56 3h3eA1 ARG 2 HA -0.02 0.02 0.43 -0.75 4.34 4.02 3h3eA1 ARG 2 HB2 0.09 -0.02 0.07 -0.04 1.90 2.00 3h3eA1 ARG 2 HB3 0.01 0.03 -0.04 -0.04 1.80 1.76 3h3eA1 ARG 2 HG2 0.00 -0.01 -0.05 -0.04 1.67 1.57 3h3eA1 ARG 2 HG3 0.05 -0.06 -0.20 -0.04 1.67 1.42 3h3eA1 ARG 2 HD2 0.05 -0.02 -0.08 -0.04 3.22 3.12 3h3eA1 ARG 2 HD3 0.07 0.02 -0.06 -0.04 3.22 3.21 3h3eA1 ILE 3 H -0.14 0.61 0.37 -0.55 8.25 8.53 3h3eA1 ILE 3 HA -0.01 0.30 1.11 -0.75 4.18 4.83 3h3eA1 ILE 3 HB -0.09 -0.08 0.12 -0.04 1.89 1.80 3h3eA1 ILE 3 HG12 -0.04 0.00 0.01 -0.04 1.49 1.43 3h3eA1 ILE 3 HG13 -0.04 0.01 -0.36 -0.04 1.21 0.77 3h3eA1 ILE 3 HG23 -0.06 -0.01 -0.20 -0.04 0.93 0.61 3h3eA1 ILE 3 HD13 -0.05 -0.02 -0.14 -0.04 0.88 0.63 3h3eA1 HIS 4 H 0.06 0.70 0.35 -0.55 8.41 8.97 3h3eA1 HIS 4 HA -0.10 0.37 1.20 -0.75 4.63 5.34 3h3eA1 HIS 4 HB2 -0.04 -0.11 0.11 -0.04 3.26 3.18 3h3eA1 HIS 4 HB3 -0.07 0.09 -0.13 -0.04 3.20 3.05 3h3eA1 HIS 4 HD2 -0.05 0.09 -0.04 -0.04 6.97 6.93 3h3eA1 HIS 4 HE1 -0.01 0.00 -0.11 -0.04 7.75 7.59 3h3eA1 VAL 5 H -0.14 0.70 0.22 -0.55 8.24 8.47 3h3eA1 VAL 5 HA -0.14 -0.02 0.90 -0.75 4.13 4.11 3h3eA1 VAL 5 HB -0.21 0.17 0.17 -0.04 2.12 2.21 3h3eA1 VAL 5 HG13 -0.07 -0.07 -0.25 -0.04 0.97 0.54 3h3eA1 VAL 5 HG23 -0.08 -0.03 -0.02 -0.04 0.95 0.77 3h3eA1 LEU 6 H -0.13 0.50 0.43 -0.55 8.37 8.62 3h3eA1 LEU 6 HA -0.01 0.27 0.78 -0.75 4.35 4.64 3h3eA1 LEU 6 HB2 0.02 -0.07 -0.09 -0.04 1.64 1.45 3h3eA1 LEU 6 HB3 0.08 -0.02 0.08 -0.04 1.64 1.75 3h3eA1 LEU 6 HG 0.01 -0.02 -0.10 -0.04 1.64 1.49 3h3eA1 LEU 6 HD13 0.06 0.02 -0.10 -0.04 0.93 0.87 3h3eA1 LEU 6 HD23 -0.01 0.04 -0.25 -0.04 0.89 0.63 3h3eA1 CYS 7 H -0.15 0.49 0.26 -0.55 8.50 8.56 3h3eA1 CYS 7 HA 0.00 0.19 0.48 -0.75 4.58 4.50 3h3eA1 CYS 7 HB2 0.02 0.05 -0.28 -0.04 2.97 2.72 3h3eA1 CYS 7 HB3 -0.14 -0.08 -0.27 -0.04 2.97 2.44 3h3eA1 ASP 8 H 0.03 0.35 0.29 -0.55 8.40 8.52 3h3eA1 ASP 8 HA 0.10 0.18 0.72 -0.75 4.63 4.87 3h3eA1 ASP 8 HB2 0.09 0.18 -0.22 -0.04 2.71 2.72 3h3eA1 ASP 8 HB3 0.07 0.07 -0.10 -0.04 2.70 2.70 3h3eA1 ASP 9 H 0.13 -0.02 0.28 -0.55 8.40 8.24 3h3eA1 ASP 9 HA 0.12 0.22 0.41 -0.75 4.63 4.62 3h3eA1 ASP 9 HB2 0.11 -0.02 0.15 -0.04 2.71 2.90 3h3eA1 ASP 9 HB3 0.12 0.03 0.06 -0.04 2.70 2.87 3h3eA1 SER 10 H 0.09 -0.04 -0.08 -0.55 8.46 7.88 3h3eA1 SER 10 HA 0.06 0.24 0.83 -0.75 4.49 4.87 3h3eA1 SER 10 HB2 0.11 0.09 0.09 -0.04 3.95 4.20 3h3eA1 SER 10 HB3 0.06 0.04 0.13 -0.04 3.93 4.12 3h3eA1 SER 11 H 0.06 0.33 0.16 -0.55 8.46 8.46 3h3eA1 SER 11 HA 0.19 -0.24 0.59 -0.75 4.49 4.28 3h3eA1 SER 11 HB2 0.19 0.13 -0.14 -0.04 3.95 4.09 3h3eA1 SER 11 HB3 0.12 0.11 -0.52 -0.04 3.93 3.60 3h3eA1 GLN 12 H 0.20 -0.07 0.11 -0.55 8.47 8.16 3h3eA1 GLN 12 HA -0.13 0.14 0.75 -0.75 4.36 4.37 3h3eA1 GLN 12 HB2 -0.15 -0.09 0.06 -0.04 2.15 1.93 3h3eA1 GLN 12 HB3 0.20 0.13 -0.06 -0.04 2.02 2.25 3h3eA1 GLN 12 HG2 -0.04 0.08 0.00 -0.04 2.40 2.41 3h3eA1 GLN 12 HG3 -0.08 -0.10 0.12 -0.04 2.39 2.30 3h3eA1 GLN 12 HE21 -0.37 0.03 -0.03 -0.04 6.97 6.56 3h3eA1 GLN 12 HE22 -0.15 0.04 -0.02 -0.04 7.69 7.52 3h3eA1 ASN 13 H 0.01 0.12 0.12 -0.55 8.53 8.23 3h3eA1 ASN 13 HA 0.03 0.01 0.34 -0.75 4.76 4.39 3h3eA1 ASN 13 HB2 0.02 0.01 0.15 -0.04 2.88 3.01 3h3eA1 ASN 13 HB3 0.00 0.05 -0.00 -0.04 2.79 2.80 3h3eA1 ASN 13 HD21 -0.01 0.00 0.03 -0.04 7.03 7.01 3h3eA1 ASN 13 HD22 -0.01 0.02 0.04 -0.04 7.74 7.75 3h3eA1 GLY 14 H 0.01 0.13 0.12 -0.55 8.43 8.13 3h3eA1 GLY 14 HA2 -0.11 -0.03 0.33 -0.51 4.01 3.69 3h3eA1 GLY 14 HA3 -0.20 0.24 0.83 -0.51 4.01 4.36 3h3eA1 PHE 15 H 0.20 0.51 -0.14 -0.55 8.34 8.37 3h3eA1 PHE 15 HA 0.01 0.14 0.72 -0.75 4.62 4.73 3h3eA1 PHE 15 HB2 0.07 -0.13 0.04 -0.04 3.15 3.08 3h3eA1 PHE 15 HB3 0.05 0.08 -0.08 -0.04 3.06 3.06 3h3eA1 PHE 15 HD2 0.04 -0.01 -0.11 -0.04 7.28 7.16 3h3eA1 PHE 15 HE2 0.04 0.06 -0.05 -0.04 7.38 7.39 3h3eA1 PHE 15 HZ 0.05 0.04 -0.06 -0.04 7.32 7.31 3h3eA1 GLU 16 H 0.12 0.14 0.14 -0.55 8.60 8.46 3h3eA1 GLU 16 HA 0.06 0.13 0.62 -0.75 4.29 4.35 3h3eA1 GLU 16 HB2 0.04 -0.01 0.07 -0.04 2.09 2.14 3h3eA1 GLU 16 HB3 0.03 -0.03 0.05 -0.04 1.99 2.00 3h3eA1 GLU 16 HG2 0.01 0.03 -0.06 -0.04 2.34 2.27 3h3eA1 GLU 16 HG3 -0.00 0.07 -0.02 -0.04 2.34 2.35 3h3eA1 SER 17 H 0.05 0.22 0.17 -0.55 8.46 8.36 3h3eA1 SER 17 HA 0.06 0.13 0.88 -0.75 4.49 4.81 3h3eA1 SER 17 HB2 0.07 0.19 -0.26 -0.04 3.95 3.91 3h3eA1 SER 17 HB3 0.08 -0.03 -0.54 -0.04 3.93 3.40 3h3eA1 GLU 18 H 0.05 0.34 0.21 -0.55 8.60 8.65 3h3eA1 GLU 18 HA 0.08 0.17 0.43 -0.75 4.29 4.22 3h3eA1 GLU 18 HB2 0.08 -0.01 0.11 -0.04 2.09 2.22 3h3eA1 GLU 18 HB3 0.05 0.10 -0.05 -0.04 1.99 2.05 3h3eA1 GLU 18 HG2 0.01 0.01 -0.16 -0.04 2.34 2.17 3h3eA1 GLU 18 HG3 0.00 0.02 -0.50 -0.04 2.34 1.82 3h3eA1 HIS 19 H 0.20 0.18 0.09 -0.55 8.41 8.34 3h3eA1 HIS 19 HA 0.12 0.06 0.73 -0.75 4.63 4.79 3h3eA1 HIS 19 HB2 0.09 0.05 0.15 -0.04 3.26 3.51 3h3eA1 HIS 19 HB3 0.12 0.00 0.23 -0.04 3.20 3.51 3h3eA1 HIS 19 HD2 0.24 0.01 0.00 -0.04 6.97 7.17 3h3eA1 HIS 19 HE1 -0.11 -0.02 -0.07 -0.04 7.75 7.51 3h3eA1 GLY 20 H -0.03 0.47 0.14 -0.55 8.43 8.46 3h3eA1 GLY 20 HA2 -0.56 0.01 0.25 -0.51 4.01 3.20 3h3eA1 GLY 20 HA3 -0.31 0.00 0.51 -0.51 4.01 3.70 3h3eA1 PHE 21 H -0.69 0.42 0.29 -0.55 8.34 7.80 3h3eA1 PHE 21 HA -0.32 0.37 0.93 -0.75 4.62 4.85 3h3eA1 PHE 21 HB2 -0.86 -0.13 -0.06 -0.04 3.15 2.05 3h3eA1 PHE 21 HB3 -0.45 -0.06 0.14 -0.04 3.06 2.65 3h3eA1 PHE 21 HD2 0.04 -0.06 0.11 -0.04 7.28 7.33 3h3eA1 PHE 21 HE2 0.04 0.04 -0.04 -0.04 7.38 7.38 3h3eA1 PHE 21 HZ -0.05 0.08 -0.09 -0.04 7.32 7.22 3h3eA1 SER 22 H -0.65 0.59 0.29 -0.55 8.46 8.15 3h3eA1 SER 22 HA -0.42 0.29 0.38 -0.75 4.49 3.98 3h3eA1 SER 22 HB2 -0.36 -0.17 -0.24 -0.04 3.95 3.14 3h3eA1 SER 22 HB3 -0.19 -0.15 -0.19 -0.04 3.93 3.36 3h3eA1 VAL 23 H -0.23 0.78 0.31 -0.55 8.24 8.55 3h3eA1 VAL 23 HA -0.18 0.17 1.15 -0.75 4.13 4.53 3h3eA1 VAL 23 HB -0.37 -0.07 -0.07 -0.04 2.12 1.57 3h3eA1 VAL 23 HG13 -0.07 -0.02 0.03 -0.04 0.97 0.86 3h3eA1 VAL 23 HG23 -0.05 0.03 -0.32 -0.04 0.95 0.57 3h3eA1 LEU 24 H -0.01 0.68 0.36 -0.55 8.37 8.85 3h3eA1 LEU 24 HA 0.02 0.09 0.90 -0.75 4.35 4.61 3h3eA1 LEU 24 HB2 0.02 -0.04 0.07 -0.04 1.64 1.64 3h3eA1 LEU 24 HB3 0.07 -0.03 0.21 -0.04 1.64 1.85 3h3eA1 LEU 24 HG 0.05 0.08 -0.24 -0.04 1.64 1.49 3h3eA1 LEU 24 HD13 0.02 0.03 -0.15 -0.04 0.93 0.79 3h3eA1 LEU 24 HD23 -0.05 0.00 -0.09 -0.04 0.89 0.71 3h3eA1 VAL 25 H 0.02 0.72 0.26 -0.55 8.24 8.69 3h3eA1 VAL 25 HA -0.00 0.19 1.07 -0.75 4.13 4.64 3h3eA1 VAL 25 HB -0.01 -0.02 0.16 -0.04 2.12 2.22 3h3eA1 VAL 25 HG13 -0.04 -0.00 -0.13 -0.04 0.97 0.75 3h3eA1 VAL 25 HG23 -0.03 0.00 -0.22 -0.04 0.95 0.66 3h3eA1 ASP 26 H 0.03 0.73 0.25 -0.55 8.40 8.86 3h3eA1 ASP 26 HA 0.02 0.14 0.42 -0.75 4.63 4.46 3h3eA1 ASP 26 HB2 -0.01 -0.01 -0.19 -0.04 2.71 2.46 3h3eA1 ASP 26 HB3 -0.02 -0.37 0.38 -0.04 2.70 2.65 3h3eA1 SER 27 H -0.02 0.16 0.28 -0.55 8.46 8.34 3h3eA1 SER 27 HA 0.00 0.19 0.53 -0.75 4.49 4.47 3h3eA1 SER 27 HB2 -0.01 -0.06 0.21 -0.04 3.95 4.05 3h3eA1 SER 27 HB3 -0.00 0.02 0.06 -0.04 3.93 3.96 3h3eA1 VAL 28 H -0.01 0.49 -0.29 -0.55 8.24 7.88 3h3eA1 VAL 28 HA -0.01 0.18 0.90 -0.75 4.13 4.44 3h3eA1 VAL 28 HB -0.07 -0.05 -0.18 -0.04 2.12 1.77 3h3eA1 VAL 28 HG13 -0.02 0.00 -0.20 -0.04 0.97 0.70 3h3eA1 VAL 28 HG23 -0.15 0.01 -0.06 -0.04 0.95 0.71 3h3eA1 LEU 29 H 0.02 0.71 0.33 -0.55 8.37 8.89 3h3eA1 LEU 29 HA 0.04 0.14 1.14 -0.75 4.35 4.91 3h3eA1 LEU 29 HB2 0.05 0.01 -0.00 -0.04 1.64 1.66 3h3eA1 LEU 29 HB3 0.05 0.01 0.14 -0.04 1.64 1.80 3h3eA1 LEU 29 HG -0.03 0.12 -0.34 -0.04 1.64 1.35 3h3eA1 LEU 29 HD13 0.04 -0.01 -0.22 -0.04 0.93 0.70 3h3eA1 LEU 29 HD23 0.12 -0.03 -0.14 -0.04 0.89 0.80 3h3eA1 PHE 30 H 0.11 0.75 0.36 -0.55 8.34 9.00 3h3eA1 PHE 30 HA -0.02 0.08 0.88 -0.75 4.62 4.81 3h3eA1 PHE 30 HB2 -0.02 0.05 0.05 -0.04 3.15 3.18 3h3eA1 PHE 30 HB3 -0.05 -0.01 0.25 -0.04 3.06 3.20 3h3eA1 PHE 30 HD2 0.08 -0.00 -0.14 -0.04 7.28 7.17 3h3eA1 PHE 30 HE2 0.16 -0.08 -0.23 -0.04 7.38 7.19 3h3eA1 PHE 30 HZ 0.10 -0.01 0.14 -0.04 7.32 7.51 3h3eA1 ASP 31 H -0.32 0.74 0.36 -0.55 8.40 8.63 3h3eA1 ASP 31 HA -0.20 0.06 0.50 -0.75 4.63 4.24 3h3eA1 ASP 31 HB2 -0.06 0.12 -0.03 -0.04 2.71 2.69 3h3eA1 ASP 31 HB3 -0.13 0.10 0.40 -0.04 2.70 3.02 3h3eA1 THR 32 H -0.28 0.40 0.35 -0.55 8.28 8.21 3h3eA1 THR 32 HA -0.75 0.19 0.83 -0.75 4.39 3.90 3h3eA1 THR 32 HB -1.20 -0.02 -0.11 -0.04 4.32 2.95 3h3eA1 THR 32 HG23 -0.27 0.01 -0.43 -0.04 1.22 0.50 3h3eA1 GLY 33 H -0.35 0.45 0.16 -0.55 8.43 8.15 3h3eA1 GLY 33 HA2 -0.31 0.02 0.24 -0.51 4.01 3.46 3h3eA1 GLY 33 HA3 -0.20 -0.04 0.19 -0.51 4.01 3.44 3h3eA1 LYS 34 H -0.09 0.01 0.06 -0.55 8.42 7.85 3h3eA1 LYS 34 HA -0.04 0.27 0.74 -0.75 4.32 4.53 3h3eA1 LYS 34 HB2 -0.01 0.12 0.10 -0.04 1.87 2.05 3h3eA1 LYS 34 HB3 0.03 -0.12 0.07 -0.04 1.79 1.74 3h3eA1 LYS 34 HG2 0.13 0.02 -0.25 -0.04 1.46 1.32 3h3eA1 LYS 34 HG3 0.27 0.01 -0.03 -0.04 1.46 1.66 3h3eA1 LYS 34 HD2 0.24 0.01 -0.01 -0.04 1.69 1.88 3h3eA1 LYS 34 HD3 0.23 0.05 0.03 -0.04 1.68 1.94 3h3eA1 LYS 34 HE2 0.09 -0.07 -0.04 -0.04 2.99 2.93 3h3eA1 LYS 34 HE3 0.11 0.03 -0.05 -0.04 2.99 3.03 3h3eA1 SER 35 H -0.00 -0.10 -0.03 -0.55 8.46 7.78 3h3eA1 SER 35 HA 0.16 0.35 0.69 -0.75 4.49 4.94 3h3eA1 SER 35 HB2 -0.10 -0.01 0.17 -0.04 3.95 3.97 3h3eA1 SER 35 HB3 0.08 0.11 -0.10 -0.04 3.93 3.98 3h3eA1 ASP 36 H -0.43 0.20 0.08 -0.55 8.40 7.70 3h3eA1 ASP 36 HA -0.29 0.27 0.58 -0.75 4.63 4.44 3h3eA1 ASP 36 HB2 -0.42 0.04 0.15 -0.04 2.71 2.44 3h3eA1 ASP 36 HB3 -1.53 0.10 0.02 -0.04 2.70 1.25 3h3eA1 VAL 37 H -0.05 -0.00 -0.36 -0.55 8.24 7.28 3h3eA1 VAL 37 HA -0.04 0.08 0.40 -0.75 4.13 3.81 3h3eA1 VAL 37 HB 0.03 -0.11 -0.07 -0.04 2.12 1.93 3h3eA1 VAL 37 HG13 0.04 0.04 -0.28 -0.04 0.97 0.73 3h3eA1 VAL 37 HG23 0.00 0.00 -0.12 -0.04 0.95 0.79 3h3eA1 PHE 38 H 0.39 0.11 -0.33 -0.55 8.34 7.96 3h3eA1 PHE 38 HA -0.06 0.40 0.31 -0.75 4.62 4.52 3h3eA1 PHE 38 HB2 -0.09 0.04 -0.15 -0.04 3.15 2.91 3h3eA1 PHE 38 HB3 -0.11 -0.10 -0.24 -0.04 3.06 2.56 3h3eA1 PHE 38 HD2 -0.10 -0.07 -0.12 -0.04 7.28 6.96 3h3eA1 PHE 38 HE2 -0.05 0.03 -0.06 -0.04 7.38 7.26 3h3eA1 PHE 38 HZ 0.03 0.13 -0.16 -0.04 7.32 7.27 3h3eA1 LEU 39 H -0.84 0.15 -0.34 -0.55 8.37 6.79 3h3eA1 LEU 39 HA -0.51 0.10 0.38 -0.75 4.35 3.56 3h3eA1 LEU 39 HB2 -0.50 0.09 0.15 -0.04 1.64 1.33 3h3eA1 LEU 39 HB3 -0.31 0.01 -0.07 -0.04 1.64 1.23 3h3eA1 LEU 39 HG -1.48 -0.05 -0.04 -0.04 1.64 0.04 3h3eA1 LEU 39 HD13 -0.16 0.02 -0.00 -0.04 0.93 0.75 3h3eA1 LEU 39 HD23 -0.29 0.01 -0.01 -0.04 0.89 0.56 3h3eA1 LYS 40 H -0.19 0.39 -0.07 -0.55 8.42 7.99 3h3eA1 LYS 40 HA -0.10 0.06 0.47 -0.75 4.32 3.99 3h3eA1 LYS 40 HB2 -0.07 0.02 0.16 -0.04 1.87 1.94 3h3eA1 LYS 40 HB3 -0.06 0.00 0.05 -0.04 1.79 1.74 3h3eA1 LYS 40 HG2 -0.11 0.01 -0.00 -0.04 1.46 1.32 3h3eA1 LYS 40 HG3 -0.13 0.10 -0.04 -0.04 1.46 1.35 3h3eA1 LYS 40 HD2 -0.05 0.02 -0.01 -0.04 1.69 1.61 3h3eA1 LYS 40 HD3 -0.06 0.01 -0.02 -0.04 1.68 1.57 3h3eA1 LYS 40 HE2 -0.08 -0.08 -0.18 -0.04 2.99 2.61 3h3eA1 LYS 40 HE3 -0.04 -0.00 -0.05 -0.04 2.99 2.86 3h3eA1 ASN 41 H -0.02 0.57 -0.05 -0.55 8.53 8.49 3h3eA1 ASN 41 HA 0.12 0.01 0.55 -0.75 4.76 4.68 3h3eA1 ASN 41 HB2 0.09 0.17 0.23 -0.04 2.88 3.33 3h3eA1 ASN 41 HB3 0.26 0.06 0.05 -0.04 2.79 3.12 3h3eA1 ASN 41 HD21 0.12 0.19 0.07 -0.04 7.03 7.37 3h3eA1 ASN 41 HD22 0.09 0.71 0.09 -0.04 7.74 8.58 3h3eA1 ALA 42 H -0.05 0.47 -0.18 -0.55 8.40 8.08 3h3eA1 ALA 42 HA -0.02 0.04 0.43 -0.75 4.34 4.03 3h3eA1 ALA 42 HB3 -0.09 0.04 0.08 -0.04 1.41 1.40 3h3eA1 ARG 43 H -0.08 0.64 -0.08 -0.55 8.46 8.38 3h3eA1 ARG 43 HA -0.05 0.03 0.49 -0.75 4.34 4.06 3h3eA1 ARG 43 HB2 -0.07 0.07 0.20 -0.04 1.90 2.05 3h3eA1 ARG 43 HB3 -0.06 -0.05 0.02 -0.04 1.80 1.67 3h3eA1 ARG 43 HG2 -0.06 -0.01 0.04 -0.04 1.67 1.60 3h3eA1 ARG 43 HG3 -0.10 0.13 0.07 -0.04 1.67 1.73 3h3eA1 ARG 43 HD2 -0.05 -0.02 0.00 -0.04 3.22 3.11 3h3eA1 ARG 43 HD3 -0.06 -0.02 -0.01 -0.04 3.22 3.09 3h3eA1 LYS 44 H -0.04 0.49 -0.22 -0.55 8.42 8.10 3h3eA1 LYS 44 HA -0.09 -0.03 0.45 -0.75 4.32 3.90 3h3eA1 LYS 44 HB2 -0.17 -0.05 0.14 -0.04 1.87 1.75 3h3eA1 LYS 44 HB3 -0.07 0.19 0.22 -0.04 1.79 2.09 3h3eA1 LYS 44 HG2 -1.05 -0.06 -0.08 -0.04 1.46 0.23 3h3eA1 LYS 44 HG3 -0.28 0.03 -0.21 -0.04 1.46 0.96 3h3eA1 LYS 44 HD2 -0.18 -0.01 0.10 -0.04 1.69 1.56 3h3eA1 LYS 44 HD3 -0.33 0.01 0.03 -0.04 1.68 1.36 3h3eA1 LYS 44 HE2 -0.33 -0.03 0.00 -0.04 2.99 2.59 3h3eA1 LYS 44 HE3 -0.19 0.03 0.00 -0.04 2.99 2.80 3h3eA1 LEU 45 H 0.03 0.34 -0.41 -0.55 8.37 7.78 3h3eA1 LEU 45 HA 0.06 0.09 0.69 -0.75 4.35 4.44 3h3eA1 LEU 45 HB2 -0.04 0.02 0.05 -0.04 1.64 1.62 3h3eA1 LEU 45 HB3 -0.01 -0.06 0.10 -0.04 1.64 1.64 3h3eA1 LEU 45 HG 0.34 0.07 -0.04 -0.04 1.64 1.97 3h3eA1 LEU 45 HD13 0.01 -0.02 -0.10 -0.04 0.93 0.79 3h3eA1 LEU 45 HD23 0.28 -0.01 -0.03 -0.04 0.89 1.09 3h3eA1 GLY 46 H -0.03 0.35 -0.44 -0.55 8.43 7.77 3h3eA1 GLY 46 HA2 -0.03 -0.01 0.31 -0.51 4.01 3.77 3h3eA1 GLY 46 HA3 -0.02 -0.04 0.34 -0.51 4.01 3.78 3h3eA1 ILE 47 H -0.05 0.54 -0.15 -0.55 8.25 8.04 3h3eA1 ILE 47 HA -0.05 0.14 0.80 -0.75 4.18 4.32 3h3eA1 ILE 47 HB -0.09 -0.08 -0.03 -0.04 1.89 1.65 3h3eA1 ILE 47 HG12 -0.17 0.01 -0.10 -0.04 1.49 1.19 3h3eA1 ILE 47 HG13 -0.12 0.13 -0.34 -0.04 1.21 0.84 3h3eA1 ILE 47 HG23 -0.08 -0.02 -0.28 -0.04 0.93 0.51 3h3eA1 ILE 47 HD13 -0.44 -0.02 -0.07 -0.04 0.88 0.32 3h3eA1 ASP 48 H -0.03 0.17 0.10 -0.55 8.40 8.09 3h3eA1 ASP 48 HA -0.03 0.07 0.74 -0.75 4.63 4.66 3h3eA1 ASP 48 HB2 -0.01 -0.02 0.09 -0.04 2.71 2.73 3h3eA1 ASP 48 HB3 -0.01 0.06 -0.02 -0.04 2.70 2.69 3h3eA1 LEU 49 H -0.01 0.08 0.06 -0.55 8.37 7.95 3h3eA1 LEU 49 HA 0.01 0.13 0.44 -0.75 4.35 4.17 3h3eA1 LEU 49 HB2 0.03 -0.02 -0.02 -0.04 1.64 1.60 3h3eA1 LEU 49 HB3 0.07 0.05 -0.03 -0.04 1.64 1.69 3h3eA1 LEU 49 HG -0.04 0.00 -0.04 -0.04 1.64 1.52 3h3eA1 LEU 49 HD13 0.05 -0.02 -0.12 -0.04 0.93 0.80 3h3eA1 LEU 49 HD23 0.01 0.00 -0.19 -0.04 0.89 0.67 3h3eA1 PRO 50 HA 0.03 0.10 0.36 -0.51 4.44 4.41 3h3eA1 PRO 50 HB2 0.03 -0.08 0.02 -0.04 2.28 2.21 3h3eA1 PRO 50 HB3 0.02 0.06 0.05 -0.04 2.02 2.12 3h3eA1 PRO 50 HG2 0.02 -0.07 -0.35 -0.04 2.03 1.59 3h3eA1 PRO 50 HG3 0.02 0.14 -0.15 -0.04 2.03 2.00 3h3eA1 PRO 50 HD2 0.05 0.07 -0.01 -0.04 3.68 3.74 3h3eA1 PRO 50 HD3 0.03 0.10 0.10 -0.04 3.65 3.84 3h3eA1 LYS 51 H 0.04 0.13 0.17 -0.55 8.42 8.21 3h3eA1 LYS 51 HA 0.06 0.12 0.41 -0.75 4.32 4.16 3h3eA1 LYS 51 HB2 0.05 0.02 0.15 -0.04 1.87 2.05 3h3eA1 LYS 51 HB3 0.07 -0.02 0.18 -0.04 1.79 1.98 3h3eA1 LYS 51 HG2 0.10 -0.08 -0.17 -0.04 1.46 1.27 3h3eA1 LYS 51 HG3 0.06 0.10 0.10 -0.04 1.46 1.67 3h3eA1 LYS 51 HD2 0.07 -0.02 -0.01 -0.04 1.69 1.69 3h3eA1 LYS 51 HD3 0.05 0.01 0.03 -0.04 1.68 1.73 3h3eA1 LYS 51 HE2 0.06 0.00 0.05 -0.04 2.99 3.06 3h3eA1 LYS 51 HE3 0.10 -0.00 0.01 -0.04 2.99 3.06 3h3eA1 ASP 52 H 0.07 0.11 -0.10 -0.55 8.40 7.93 3h3eA1 ASP 52 HA 0.24 0.21 0.67 -0.75 4.63 4.99 3h3eA1 ASP 52 HB2 0.03 0.03 0.18 -0.04 2.71 2.91 3h3eA1 ASP 52 HB3 0.02 0.00 -0.05 -0.04 2.70 2.64 3h3eA1 VAL 53 H 0.22 0.60 0.33 -0.55 8.24 8.84 3h3eA1 VAL 53 HA 0.05 0.27 1.07 -0.75 4.13 4.77 3h3eA1 VAL 53 HB 0.10 -0.08 0.01 -0.04 2.12 2.11 3h3eA1 VAL 53 HG13 -0.00 -0.01 -0.24 -0.04 0.97 0.68 3h3eA1 VAL 53 HG23 0.09 0.03 -0.24 -0.04 0.95 0.78 3h3eA1 LEU 54 H -0.01 0.80 0.38 -0.55 8.37 8.99 3h3eA1 LEU 54 HA 0.12 0.16 0.98 -0.75 4.35 4.86 3h3eA1 LEU 54 HB2 -0.07 -0.10 0.01 -0.04 1.64 1.44 3h3eA1 LEU 54 HB3 -0.01 0.04 -0.01 -0.04 1.64 1.62 3h3eA1 LEU 54 HG -0.07 0.07 -0.13 -0.04 1.64 1.47 3h3eA1 LEU 54 HD13 0.01 0.00 -0.14 -0.04 0.93 0.76 3h3eA1 LEU 54 HD23 -0.52 0.01 -0.24 -0.04 0.89 0.10 3h3eA1 ILE 55 H 0.04 0.74 0.28 -0.55 8.25 8.75 3h3eA1 ILE 55 HA -0.14 0.05 0.98 -0.75 4.18 4.31 3h3eA1 ILE 55 HB 0.10 0.06 0.09 -0.04 1.89 2.10 3h3eA1 ILE 55 HG12 0.10 0.06 -0.36 -0.04 1.49 1.26 3h3eA1 ILE 55 HG13 0.31 -0.01 -0.19 -0.04 1.21 1.28 3h3eA1 ILE 55 HG23 0.19 -0.05 -0.25 -0.04 0.93 0.78 3h3eA1 ILE 55 HD13 0.00 0.02 -0.16 -0.04 0.88 0.70 3h3eA1 SER 56 H -0.24 0.11 0.19 -0.55 8.46 7.97 3h3eA1 SER 56 HA 0.04 0.26 0.49 -0.75 4.49 4.53 3h3eA1 SER 56 HB2 0.23 -0.12 0.23 -0.04 3.95 4.25 3h3eA1 SER 56 HB3 -0.07 0.11 0.17 -0.04 3.93 4.09 3h3eA1 HIS 57 H 0.05 0.21 0.03 -0.55 8.41 8.17 3h3eA1 HIS 57 HA 0.05 0.23 0.17 -0.75 4.63 4.33 3h3eA1 HIS 57 HB2 0.07 -0.05 0.04 -0.04 3.26 3.27 3h3eA1 HIS 57 HB3 0.05 0.22 0.08 -0.04 3.20 3.51 3h3eA1 HIS 57 HD2 -0.09 0.08 -0.12 -0.04 6.97 6.80 3h3eA1 HIS 57 HE1 -1.42 0.01 -0.13 -0.04 7.75 6.17 3h3eA1 GLY 58 H 0.10 0.15 0.05 -0.55 8.43 8.19 3h3eA1 GLY 58 HA2 0.38 0.13 0.43 -0.51 4.01 4.44 3h3eA1 GLY 58 HA3 0.34 0.23 0.46 -0.51 4.01 4.53 3h3eA1 HIS 59 H -0.37 0.10 -0.47 -0.55 8.41 7.12 3h3eA1 HIS 59 HA 0.04 0.44 0.93 -0.75 4.63 5.28 3h3eA1 HIS 59 HB2 -0.41 -0.06 0.01 -0.04 3.26 2.77 3h3eA1 HIS 59 HB3 -0.00 -0.14 -0.02 -0.04 3.20 2.99 3h3eA1 HIS 59 HD2 0.13 0.31 0.06 -0.04 6.97 7.42 3h3eA1 HIS 59 HE1 -0.61 0.02 -0.06 -0.04 7.75 7.05 3h3eA1 TYR 60 H 0.40 0.55 0.17 -0.55 8.29 8.87 3h3eA1 TYR 60 HA -0.06 0.06 0.27 -0.75 4.56 4.08 3h3eA1 TYR 60 HB2 -0.01 0.02 0.08 -0.04 3.06 3.11 3h3eA1 TYR 60 HB3 -0.06 0.22 0.03 -0.04 2.98 3.14 3h3eA1 TYR 60 HD2 0.02 0.08 0.04 -0.04 7.15 7.25 3h3eA1 TYR 60 HE2 0.08 0.01 0.01 -0.04 6.85 6.91 3h3eA1 ASP 61 H -0.93 0.09 -0.21 -0.55 8.40 6.80 3h3eA1 ASP 61 HA -0.39 0.14 0.34 -0.75 4.63 3.97 3h3eA1 ASP 61 HB2 -0.50 -0.07 0.08 -0.04 2.71 2.18 3h3eA1 ASP 61 HB3 -0.85 0.10 0.04 -0.04 2.70 1.96 3h3eA1 HIS 62 H -0.08 0.33 -0.49 -0.55 8.41 7.63 3h3eA1 HIS 62 HA -0.18 0.10 1.07 -0.75 4.63 4.87 3h3eA1 HIS 62 HB2 -0.26 0.18 0.14 -0.04 3.26 3.28 3h3eA1 HIS 62 HB3 -0.12 -0.06 0.18 -0.04 3.20 3.15 3h3eA1 HIS 62 HD2 -0.09 -0.09 -0.26 -0.04 6.97 6.48 3h3eA1 HIS 62 HE1 0.26 0.16 -0.18 -0.04 7.75 7.95 3h3eA1 ALA 63 H -0.08 0.38 0.14 -0.55 8.40 8.30 3h3eA1 ALA 63 HA -0.10 0.17 0.77 -0.75 4.34 4.42 3h3eA1 ALA 63 HB3 -0.21 0.01 -0.03 -0.04 1.41 1.14 3h3eA1 GLY 64 H -0.13 0.38 -0.07 -0.55 8.43 8.07 3h3eA1 GLY 64 HA2 -0.06 -0.08 0.31 -0.51 4.01 3.66 3h3eA1 GLY 64 HA3 -0.01 0.25 0.47 -0.51 4.01 4.22 3h3eA1 GLY 65 H -0.16 0.32 -0.51 -0.55 8.43 7.53 3h3eA1 GLY 65 HA2 0.33 -0.01 0.21 -0.51 4.01 4.03 3h3eA1 GLY 65 HA3 -0.20 0.34 0.20 -0.51 4.01 3.83 3h3eA1 LEU 66 H -0.07 0.27 -0.75 -0.55 8.37 7.27 3h3eA1 LEU 66 HA 0.07 0.08 0.42 -0.75 4.35 4.17 3h3eA1 LEU 66 HB2 -0.09 0.27 0.02 -0.04 1.64 1.80 3h3eA1 LEU 66 HB3 0.02 -0.01 -0.07 -0.04 1.64 1.53 3h3eA1 LEU 66 HG -0.06 -0.06 -0.14 -0.04 1.64 1.35 3h3eA1 LEU 66 HD13 0.06 -0.01 -0.10 -0.04 0.93 0.84 3h3eA1 LEU 66 HD23 0.07 0.01 -0.12 -0.04 0.89 0.81 3h3eA1 LEU 67 H 0.05 0.47 -0.33 -0.55 8.37 8.02 3h3eA1 LEU 67 HA -0.06 0.06 0.44 -0.75 4.35 4.03 3h3eA1 LEU 67 HB2 -0.14 0.09 0.04 -0.04 1.64 1.58 3h3eA1 LEU 67 HB3 -0.26 -0.05 0.10 -0.04 1.64 1.38 3h3eA1 LEU 67 HG -0.05 0.12 0.15 -0.04 1.64 1.82 3h3eA1 LEU 67 HD13 -0.03 -0.03 0.08 -0.04 0.93 0.90 3h3eA1 LEU 67 HD23 -0.06 -0.03 0.00 -0.04 0.89 0.76 3h3eA1 TYR 68 H 0.27 0.37 -0.82 -0.55 8.29 7.56 3h3eA1 TYR 68 HA -0.02 0.15 0.76 -0.75 4.56 4.69 3h3eA1 TYR 68 HB2 0.19 0.19 -0.01 -0.04 3.06 3.38 3h3eA1 TYR 68 HB3 0.00 -0.05 0.10 -0.04 2.98 2.99 3h3eA1 TYR 68 HD2 0.04 0.06 -0.09 -0.04 7.15 7.12 3h3eA1 TYR 68 HE2 0.02 0.05 -0.05 -0.04 6.85 6.83 3h3eA1 LEU 69 H 0.10 0.42 -0.22 -0.55 8.37 8.12 3h3eA1 LEU 69 HA 0.08 0.16 0.89 -0.75 4.35 4.73 3h3eA1 LEU 69 HB2 0.13 -0.01 0.01 -0.04 1.64 1.73 3h3eA1 LEU 69 HB3 0.11 0.03 -0.01 -0.04 1.64 1.72 3h3eA1 LEU 69 HG 0.38 0.02 -0.26 -0.04 1.64 1.74 3h3eA1 LEU 69 HD13 0.24 -0.02 -0.16 -0.04 0.93 0.96 3h3eA1 LEU 69 HD23 0.12 0.05 -0.09 -0.04 0.89 0.93 3h3eA1 SER 70 H 0.05 0.26 0.16 -0.55 8.46 8.38 3h3eA1 SER 70 HA 0.11 0.19 0.58 -0.75 4.49 4.62 3h3eA1 SER 70 HB2 0.04 -0.04 0.01 -0.04 3.95 3.92 3h3eA1 SER 70 HB3 0.11 0.09 0.14 -0.04 3.93 4.22 3h3eA1 GLY 71 H 0.08 0.78 0.37 -0.55 8.43 9.11 3h3eA1 GLY 71 HA2 0.03 0.04 0.38 -0.51 4.01 3.95 3h3eA1 GLY 71 HA3 0.04 0.02 0.32 -0.51 4.01 3.88 3h3eA1 LYS 72 H 0.07 -0.03 -0.48 -0.55 8.42 7.42 3h3eA1 LYS 72 HA 0.06 0.21 0.69 -0.75 4.32 4.53 3h3eA1 LYS 72 HB2 0.08 -0.13 -0.12 -0.04 1.87 1.66 3h3eA1 LYS 72 HB3 0.09 0.11 0.01 -0.04 1.79 1.97 3h3eA1 LYS 72 HG2 0.08 -0.02 -0.20 -0.04 1.46 1.28 3h3eA1 LYS 72 HG3 0.10 -0.08 -0.13 -0.04 1.46 1.32 3h3eA1 LYS 72 HD2 0.08 0.12 -0.12 -0.04 1.69 1.73 3h3eA1 LYS 72 HD3 0.07 0.03 -0.03 -0.04 1.68 1.70 3h3eA1 LYS 72 HE2 0.06 0.05 -0.06 -0.04 2.99 2.99 3h3eA1 LYS 72 HE3 0.08 -0.11 -0.09 -0.04 2.99 2.83 3h3eA1 ARG 73 H 0.10 0.58 0.26 -0.55 8.46 8.85 3h3eA1 ARG 73 HA -0.03 0.22 0.86 -0.75 4.34 4.64 3h3eA1 ARG 73 HB2 0.04 0.03 0.04 -0.04 1.90 1.97 3h3eA1 ARG 73 HB3 0.19 -0.07 0.14 -0.04 1.80 2.01 3h3eA1 ARG 73 HG2 -0.38 -0.01 -0.25 -0.04 1.67 0.98 3h3eA1 ARG 73 HG3 -0.17 0.02 -0.08 -0.04 1.67 1.40 3h3eA1 ARG 73 HD2 0.12 -0.00 -0.04 -0.04 3.22 3.26 3h3eA1 ARG 73 HD3 0.34 -0.04 -0.07 -0.04 3.22 3.42 3h3eA1 VAL 74 H -0.07 0.83 0.24 -0.55 8.24 8.68 3h3eA1 VAL 74 HA 0.16 0.31 0.79 -0.75 4.13 4.63 3h3eA1 VAL 74 HB -0.00 -0.05 -0.00 -0.04 2.12 2.02 3h3eA1 VAL 74 HG13 0.15 -0.03 -0.31 -0.04 0.97 0.74 3h3eA1 VAL 74 HG23 0.10 0.01 -0.22 -0.04 0.95 0.80 3h3eA1 TRP 75 H 0.44 0.72 0.39 -0.55 7.97 8.97 3h3eA1 TRP 75 HA -0.11 0.31 0.83 -0.75 4.62 4.90 3h3eA1 TRP 75 HB2 -0.02 -0.10 0.25 -0.04 3.23 3.32 3h3eA1 TRP 75 HB3 -0.02 -0.01 -0.00 -0.04 3.23 3.16 3h3eA1 TRP 75 HD1 -0.02 0.24 -0.02 -0.04 7.22 7.38 3h3eA1 TRP 75 HE1 -0.01 -0.01 -0.07 -0.04 10.20 10.07 3h3eA1 TRP 75 HE3 0.01 -0.03 -0.14 -0.04 7.59 7.39 3h3eA1 TRP 75 HZ2 -0.01 0.02 -0.03 -0.04 7.44 7.38 3h3eA1 TRP 75 HZ3 0.01 -0.01 -0.13 -0.04 7.13 6.96 3h3eA1 TRP 75 HH2 -0.00 0.09 0.02 -0.04 7.19 7.26 3h3eA1 LEU 76 H -0.19 0.55 0.30 -0.55 8.37 8.48 3h3eA1 LEU 76 HA 0.03 0.21 0.87 -0.75 4.35 4.70 3h3eA1 LEU 76 HB2 -0.21 -0.05 0.01 -0.04 1.64 1.36 3h3eA1 LEU 76 HB3 -0.08 -0.00 -0.24 -0.04 1.64 1.27 3h3eA1 LEU 76 HG -0.40 -0.04 -0.32 -0.04 1.64 0.84 3h3eA1 LEU 76 HD13 -0.98 -0.01 -0.19 -0.04 0.93 -0.29 3h3eA1 LEU 76 HD23 -0.47 0.03 -0.15 -0.04 0.89 0.25 3h3eA1 ARG 77 H 0.02 0.22 0.16 -0.55 8.46 8.30 3h3eA1 ARG 77 HA 0.09 0.26 0.87 -0.75 4.34 4.80 3h3eA1 ARG 77 HB2 0.03 -0.12 0.20 -0.04 1.90 1.97 3h3eA1 ARG 77 HB3 0.03 -0.03 0.13 -0.04 1.80 1.90 3h3eA1 ARG 77 HG2 0.08 0.01 -0.03 -0.04 1.67 1.69 3h3eA1 ARG 77 HG3 0.07 0.16 -0.03 -0.04 1.67 1.83 3h3eA1 ARG 77 HD2 0.07 0.13 -0.31 -0.04 3.22 3.07 3h3eA1 ARG 77 HD3 0.05 0.06 0.08 -0.04 3.22 3.37 3h3eA1 LYS 78 H 0.08 0.35 0.17 -0.55 8.42 8.46 3h3eA1 LYS 78 HA -0.02 0.08 0.31 -0.75 4.32 3.93 3h3eA1 LYS 78 HB2 -0.06 0.03 0.11 -0.04 1.87 1.91 3h3eA1 LYS 78 HB3 -0.16 -0.00 -0.00 -0.04 1.79 1.58 3h3eA1 LYS 78 HG2 -0.59 0.00 0.03 -0.04 1.46 0.86 3h3eA1 LYS 78 HG3 -0.06 0.03 0.00 -0.04 1.46 1.39 3h3eA1 LYS 78 HD2 -0.10 0.03 -0.01 -0.04 1.69 1.57 3h3eA1 LYS 78 HD3 -0.17 -0.02 -0.01 -0.04 1.68 1.44 3h3eA1 LYS 78 HE2 -0.21 0.02 -0.02 -0.04 2.99 2.73 3h3eA1 LYS 78 HE3 -0.16 0.01 -0.01 -0.04 2.99 2.79 3h3eA1 GLU 79 H -0.02 0.16 -0.42 -0.55 8.60 7.77 3h3eA1 GLU 79 HA -0.06 0.11 0.37 -0.75 4.29 3.95 3h3eA1 GLU 79 HB2 -0.04 -0.09 -0.01 -0.04 2.09 1.91 3h3eA1 GLU 79 HB3 -0.03 0.06 -0.02 -0.04 1.99 1.95 3h3eA1 GLU 79 HG2 -0.01 -0.02 -0.31 -0.04 2.34 1.97 3h3eA1 GLU 79 HG3 -0.01 -0.14 -0.55 -0.04 2.34 1.60 3h3eA1 ALA 80 H -0.09 0.63 -0.30 -0.55 8.40 8.09 3h3eA1 ALA 80 HA -0.01 -0.09 0.60 -0.75 4.34 4.08 3h3eA1 ALA 80 HB3 -0.18 0.02 0.04 -0.04 1.41 1.26 3h3eA1 LEU 81 H -0.22 0.36 -0.35 -0.55 8.37 7.61 3h3eA1 LEU 81 HA -0.62 0.04 0.45 -0.75 4.35 3.46 3h3eA1 LEU 81 HB2 -0.13 0.05 0.07 -0.04 1.64 1.60 3h3eA1 LEU 81 HB3 -0.08 -0.07 0.04 -0.04 1.64 1.49 3h3eA1 LEU 81 HG -0.26 0.07 0.01 -0.04 1.64 1.42 3h3eA1 LEU 81 HD13 -0.15 -0.00 0.01 -0.04 0.93 0.74 3h3eA1 LEU 81 HD23 -0.56 -0.02 -0.09 -0.04 0.89 0.18 3h3eA1 ASP 82 H -0.02 0.16 -0.22 -0.55 8.40 7.77 3h3eA1 ASP 82 HA 0.07 0.03 0.48 -0.75 4.63 4.46 3h3eA1 ASP 82 HB2 0.00 0.05 0.01 -0.04 2.71 2.73 3h3eA1 ASP 82 HB3 0.04 -0.04 -0.09 -0.04 2.70 2.58 3h3eA1 GLN 83 H 0.16 0.35 0.32 -0.55 8.47 8.75 3h3eA1 GLN 83 HA 0.22 0.11 0.57 -0.75 4.36 4.51 3h3eA1 GLN 83 HB2 0.27 -0.02 0.25 -0.04 2.15 2.62 3h3eA1 GLN 83 HB3 0.39 -0.01 0.04 -0.04 2.02 2.40 3h3eA1 GLN 83 HG2 0.20 0.02 0.12 -0.04 2.40 2.70 3h3eA1 GLN 83 HG3 0.21 -0.02 0.06 -0.04 2.39 2.60 3h3eA1 GLN 83 HE21 0.36 0.05 0.16 -0.04 6.97 7.51 3h3eA1 GLN 83 HE22 0.24 -0.05 0.08 -0.04 7.69 7.92 3h3eA1 LYS 84 H 0.01 0.12 0.27 -0.55 8.42 8.27 3h3eA1 LYS 84 HA 0.11 0.16 0.61 -0.75 4.32 4.45 3h3eA1 LYS 84 HB2 -0.00 0.01 -0.05 -0.04 1.87 1.78 3h3eA1 LYS 84 HB3 0.07 0.03 -0.07 -0.04 1.79 1.77 3h3eA1 LYS 84 HG2 -0.12 -0.02 -0.09 -0.04 1.46 1.19 3h3eA1 LYS 84 HG3 -0.02 0.21 0.01 -0.04 1.46 1.61 3h3eA1 LYS 84 HD2 -0.45 0.02 -0.29 -0.04 1.69 0.92 3h3eA1 LYS 84 HD3 -0.54 0.00 -0.11 -0.04 1.68 0.99 3h3eA1 LYS 84 HE2 -0.07 0.08 -0.05 -0.04 2.99 2.91 3h3eA1 LYS 84 HE3 -0.14 -0.15 -0.13 -0.04 2.99 2.53 3h3eA1 TYR 85 H 0.35 0.75 0.30 -0.55 8.29 9.14 3h3eA1 TYR 85 HA 0.13 0.11 0.93 -0.75 4.56 4.97 3h3eA1 TYR 85 HB2 0.20 -0.05 -0.07 -0.04 3.06 3.10 3h3eA1 TYR 85 HB3 0.14 0.18 -0.20 -0.04 2.98 3.06 3h3eA1 TYR 85 HD2 0.13 0.03 -0.52 -0.04 7.15 6.75 3h3eA1 TYR 85 HE2 0.15 0.01 -0.14 -0.04 6.85 6.83 3h3eA1 SER 86 H 0.25 0.77 0.06 -0.55 8.46 9.00 3h3eA1 SER 86 HA 0.32 0.14 0.88 -0.75 4.49 5.07 3h3eA1 SER 86 HB2 0.42 -0.02 -0.10 -0.04 3.95 4.21 3h3eA1 SER 86 HB3 0.18 0.03 0.14 -0.04 3.93 4.25 3h3eA1 GLY 87 H 0.32 0.68 0.19 -0.55 8.43 9.07 3h3eA1 GLY 87 HA2 0.16 0.09 0.37 -0.51 4.01 4.12 3h3eA1 GLY 87 HA3 0.09 0.04 0.85 -0.51 4.01 4.48 3h3eA1 GLU 88 H 0.06 0.17 0.13 -0.55 8.60 8.41 3h3eA1 GLU 88 HA 0.03 0.19 0.69 -0.75 4.29 4.45 3h3eA1 GLU 88 HB2 0.04 0.01 0.04 -0.04 2.09 2.14 3h3eA1 GLU 88 HB3 0.02 0.02 0.13 -0.04 1.99 2.12 3h3eA1 GLU 88 HG2 -0.07 0.05 -0.08 -0.04 2.34 2.20 3h3eA1 GLU 88 HG3 -0.01 -0.08 -0.01 -0.04 2.34 2.20 3h3eA1 ARG 89 H 0.15 0.27 -0.37 -0.55 8.46 7.96 3h3eA1 ARG 89 HA 0.13 0.13 0.70 -0.75 4.34 4.55 3h3eA1 ARG 89 HB2 0.06 -0.03 0.08 -0.04 1.90 1.97 3h3eA1 ARG 89 HB3 0.08 0.05 0.13 -0.04 1.80 2.01 3h3eA1 ARG 89 HG2 -0.02 0.18 -0.21 -0.04 1.67 1.58 3h3eA1 ARG 89 HG3 0.02 -0.01 0.04 -0.04 1.67 1.67 3h3eA1 ARG 89 HD2 -0.03 0.00 0.00 -0.04 3.22 3.15 3h3eA1 ARG 89 HD3 0.02 -0.02 0.02 -0.04 3.22 3.20 3h3eA1 TYR 90 H 0.15 0.17 0.17 -0.55 8.29 8.23 3h3eA1 TYR 90 HA -0.75 0.08 0.55 -0.75 4.56 3.69 3h3eA1 TYR 90 HB2 -0.27 0.04 0.11 -0.04 3.06 2.90 3h3eA1 TYR 90 HB3 -0.13 0.00 0.18 -0.04 2.98 2.99 3h3eA1 TYR 90 HD2 -0.44 0.04 -0.07 -0.04 7.15 6.64 3h3eA1 TYR 90 HE2 -0.06 0.03 -0.09 -0.04 6.85 6.70 3h3eA1 ALA 91 H -0.61 0.76 0.42 -0.55 8.40 8.43 3h3eA1 ALA 91 HA -0.30 0.18 0.93 -0.75 4.34 4.39 3h3eA1 ALA 91 HB3 0.17 -0.03 -0.04 -0.04 1.41 1.47 3h3eA1 GLY 92 H -2.02 0.07 0.08 -0.55 8.43 6.02 3h3eA1 GLY 92 HA2 -0.07 0.28 0.75 -0.51 4.01 4.47 3h3eA1 GLY 92 HA3 -0.26 -0.04 0.51 -0.51 4.01 3.70 3h3eA1 ALA 93 H 0.04 0.27 0.24 -0.55 8.40 8.41 3h3eA1 ALA 93 HA -0.16 0.19 0.82 -0.75 4.34 4.43 3h3eA1 ALA 93 HB3 -0.80 0.03 -0.14 -0.04 1.41 0.45 3h3eA1 ASP 94 H -0.27 0.24 0.05 -0.55 8.40 7.87 3h3eA1 ASP 94 HA -0.04 0.13 0.65 -0.75 4.63 4.62 3h3eA1 ASP 94 HB2 -0.04 0.08 0.10 -0.04 2.71 2.81 3h3eA1 ASP 94 HB3 -0.08 0.05 0.24 -0.04 2.70 2.87 3h3eA1 TRP 95 H 0.03 0.45 0.12 -0.55 7.97 8.02 3h3eA1 TRP 95 HA 0.07 0.08 0.29 -0.75 4.62 4.31 3h3eA1 TRP 95 HB2 0.08 0.05 0.06 -0.04 3.23 3.37 3h3eA1 TRP 95 HB3 0.09 0.03 -0.01 -0.04 3.23 3.30 3h3eA1 TRP 95 HD1 0.08 0.12 0.13 -0.04 7.22 7.51 3h3eA1 TRP 95 HE1 0.04 0.18 0.14 -0.04 10.20 10.53 3h3eA1 TRP 95 HE3 0.04 -0.02 -0.13 -0.04 7.59 7.44 3h3eA1 TRP 95 HZ2 0.00 -0.08 -0.06 -0.04 7.44 7.26 3h3eA1 TRP 95 HZ3 -0.00 0.05 -0.18 -0.04 7.13 6.95 3h3eA1 TRP 95 HH2 -0.01 -0.02 -0.15 -0.04 7.19 6.97 3h3eA1 ASN 96 H 0.16 0.08 -0.17 -0.55 8.53 8.05 3h3eA1 ASN 96 HA 0.15 0.13 0.37 -0.75 4.76 4.66 3h3eA1 ASN 96 HB2 0.05 -0.05 0.04 -0.04 2.88 2.88 3h3eA1 ASN 96 HB3 0.04 0.08 -0.02 -0.04 2.79 2.85 3h3eA1 ASN 96 HD21 0.07 0.03 0.02 -0.04 7.03 7.11 3h3eA1 ASN 96 HD22 0.05 -0.01 0.02 -0.04 7.74 7.77 3h3eA1 GLU 97 H 0.07 0.08 -0.28 -0.55 8.60 7.91 3h3eA1 GLU 97 HA 0.05 0.13 0.53 -0.75 4.29 4.25 3h3eA1 GLU 97 HB2 0.03 -0.06 0.07 -0.04 2.09 2.09 3h3eA1 GLU 97 HB3 0.05 0.08 0.10 -0.04 1.99 2.19 3h3eA1 GLU 97 HG2 0.18 0.07 -0.08 -0.04 2.34 2.47 3h3eA1 GLU 97 HG3 0.33 0.01 0.06 -0.04 2.34 2.70 3h3eA1 VAL 98 H 0.09 0.37 -0.05 -0.55 8.24 8.10 3h3eA1 VAL 98 HA 0.17 0.15 0.27 -0.75 4.13 3.95 3h3eA1 VAL 98 HB 0.19 -0.06 0.03 -0.04 2.12 2.24 3h3eA1 VAL 98 HG13 0.20 0.01 -0.25 -0.04 0.97 0.89 3h3eA1 VAL 98 HG23 -0.17 0.05 -0.12 -0.04 0.95 0.67 3h3eA1 LEU 99 H 0.22 0.51 -0.31 -0.55 8.37 8.24 3h3eA1 LEU 99 HA 0.13 0.09 0.34 -0.75 4.35 4.15 3h3eA1 LEU 99 HB2 0.19 0.09 0.03 -0.04 1.64 1.91 3h3eA1 LEU 99 HB3 0.13 -0.02 0.07 -0.04 1.64 1.77 3h3eA1 LEU 99 HG 0.39 0.01 -0.02 -0.04 1.64 1.98 3h3eA1 LEU 99 HD13 0.21 -0.03 -0.06 -0.04 0.93 1.01 3h3eA1 LEU 99 HD23 0.10 -0.02 -0.23 -0.04 0.89 0.70 3h3eA1 TYR 100 H 0.18 0.14 -0.51 -0.55 8.29 7.55 3h3eA1 TYR 100 HA -0.09 0.04 0.67 -0.75 4.56 4.42 3h3eA1 TYR 100 HB2 -0.14 0.09 0.22 -0.04 3.06 3.19 3h3eA1 TYR 100 HB3 -0.39 0.15 0.24 -0.04 2.98 2.94 3h3eA1 TYR 100 HD2 -1.13 0.01 -0.02 -0.04 7.15 5.97 3h3eA1 TYR 100 HE2 -0.22 -0.03 -0.01 -0.04 6.85 6.55 3h3eA1 TYR 101 H 0.18 0.35 -0.02 -0.55 8.29 8.25 3h3eA1 TYR 101 HA -0.05 0.06 0.53 -0.75 4.56 4.35 3h3eA1 TYR 101 HB2 0.08 0.13 0.14 -0.04 3.06 3.36 3h3eA1 TYR 101 HB3 0.05 -0.07 0.17 -0.04 2.98 3.09 3h3eA1 TYR 101 HD2 0.10 0.07 0.03 -0.04 7.15 7.31 3h3eA1 TYR 101 HE2 0.10 -0.06 -0.00 -0.04 6.85 6.85 3h3eA1 ASN 102 H 0.12 0.26 -0.18 -0.55 8.53 8.18 3h3eA1 ASN 102 HA 0.06 0.01 0.90 -0.75 4.76 4.98 3h3eA1 ASN 102 HB2 0.11 0.18 -0.03 -0.04 2.88 3.10 3h3eA1 ASN 102 HB3 0.07 -0.02 0.05 -0.04 2.79 2.85 3h3eA1 ASN 102 HD21 0.12 0.30 -0.12 -0.04 7.03 7.29 3h3eA1 ASN 102 HD22 0.15 0.10 0.02 -0.04 7.74 7.97 3h3eA1 THR 103 H 0.01 0.52 0.20 -0.55 8.28 8.46 3h3eA1 THR 103 HA -0.03 0.17 0.87 -0.75 4.39 4.65 3h3eA1 THR 103 HB -0.05 -0.00 0.13 -0.04 4.32 4.36 3h3eA1 THR 103 HG23 -0.07 0.01 -0.09 -0.04 1.22 1.03 3h3eA1 GLY 104 H -0.08 0.18 0.16 -0.55 8.43 8.14 3h3eA1 GLY 104 HA2 -0.31 0.16 0.63 -0.51 4.01 3.98 3h3eA1 GLY 104 HA3 -0.42 -0.04 0.29 -0.51 4.01 3.33 3h3eA1 LYS 105 H -0.50 0.95 0.31 -0.55 8.42 8.63 3h3eA1 LYS 105 HA -0.39 0.12 0.78 -0.75 4.32 4.07 3h3eA1 LYS 105 HB2 -0.77 0.03 -0.07 -0.04 1.87 1.03 3h3eA1 LYS 105 HB3 -1.13 0.00 -0.08 -0.04 1.79 0.55 3h3eA1 LYS 105 HG2 -2.63 -0.01 -0.12 -0.04 1.46 -1.34 3h3eA1 LYS 105 HG3 -0.70 0.00 -0.39 -0.04 1.46 0.33 3h3eA1 LYS 105 HD2 -0.39 -0.01 -0.01 -0.04 1.69 1.25 3h3eA1 LYS 105 HD3 -0.62 0.01 -0.02 -0.04 1.68 1.01 3h3eA1 LYS 105 HE2 -1.09 0.02 -0.06 -0.04 2.99 1.82 3h3eA1 LYS 105 HE3 -0.27 -0.02 -0.06 -0.04 2.99 2.60 3h3eA1 PHE 106 H -0.07 0.16 0.02 -0.55 8.34 7.90 3h3eA1 PHE 106 HA -0.10 0.37 0.74 -0.75 4.62 4.87 3h3eA1 PHE 106 HB2 -0.09 -0.00 0.10 -0.04 3.15 3.12 3h3eA1 PHE 106 HB3 -0.08 -0.06 -0.04 -0.04 3.06 2.85 3h3eA1 PHE 106 HD2 -0.12 0.01 -0.18 -0.04 7.28 6.95 3h3eA1 PHE 106 HE2 -0.18 0.02 -0.11 -0.04 7.38 7.07 3h3eA1 PHE 106 HZ -0.13 0.00 -0.07 -0.04 7.32 7.08 3h3eA1 VAL 107 H 0.11 0.59 0.31 -0.55 8.24 8.69 3h3eA1 VAL 107 HA 0.12 0.07 0.65 -0.75 4.13 4.21 3h3eA1 VAL 107 HB 0.13 -0.06 -0.14 -0.04 2.12 2.01 3h3eA1 VAL 107 HG13 0.16 0.01 -0.25 -0.04 0.97 0.85 3h3eA1 VAL 107 HG23 0.30 0.04 -0.20 -0.04 0.95 1.05 3h3eA1 ILE 108 H 0.08 0.07 0.18 -0.55 8.25 8.03 3h3eA1 ILE 108 HA 0.05 0.16 0.97 -0.75 4.18 4.59 3h3eA1 ILE 108 HB 0.03 0.01 -0.02 -0.04 1.89 1.87 3h3eA1 ILE 108 HG12 0.03 -0.04 -0.20 -0.04 1.49 1.25 3h3eA1 ILE 108 HG13 0.06 0.04 0.01 -0.04 1.21 1.28 3h3eA1 ILE 108 HG23 0.01 -0.01 0.01 -0.04 0.93 0.89 3h3eA1 ILE 108 HD13 0.02 0.01 0.00 -0.04 0.88 0.86 3h3eA1 GLU 109 H 0.07 -0.05 0.10 -0.55 8.60 8.18 3h3eA1 GLU 109 HA 0.04 0.07 0.42 -0.75 4.29 4.06 3h3eA1 GLU 109 HB2 0.08 0.08 -0.22 -0.04 2.09 2.00 3h3eA1 GLU 109 HB3 0.05 -0.02 0.14 -0.04 1.99 2.13 3h3eA1 GLU 109 HG2 0.07 -0.12 0.12 -0.04 2.34 2.37 3h3eA1 GLU 109 HG3 0.07 0.09 0.09 -0.04 2.34 2.55 3h3eA1 ARG 110 H 0.03 0.10 0.17 -0.55 8.46 8.20 3h3eA1 ARG 110 HA 0.04 0.11 0.61 -0.75 4.34 4.35 3h3eA1 ARG 110 HB2 0.01 -0.01 0.10 -0.04 1.90 1.95 3h3eA1 ARG 110 HB3 0.02 0.05 0.04 -0.04 1.80 1.86 3h3eA1 ARG 110 HG2 0.02 -0.06 0.10 -0.04 1.67 1.69 3h3eA1 ARG 110 HG3 0.01 0.02 0.04 -0.04 1.67 1.70 3h3eA1 ARG 110 HD2 0.02 0.04 -0.00 -0.04 3.22 3.24 3h3eA1 ARG 110 HD3 0.01 -0.02 0.01 -0.04 3.22 3.17 3h3eA1 ILE 111 H 0.05 0.07 0.01 -0.55 8.25 7.83 3h3eA1 ILE 111 HA 0.11 0.38 0.94 -0.75 4.18 4.85 3h3eA1 ILE 111 HB 0.00 -0.08 0.08 -0.04 1.89 1.85 3h3eA1 ILE 111 HG12 -0.14 0.05 -0.09 -0.04 1.49 1.27 3h3eA1 ILE 111 HG13 0.02 0.14 -0.20 -0.04 1.21 1.12 3h3eA1 ILE 111 HG23 0.05 0.00 -0.23 -0.04 0.93 0.71 3h3eA1 ILE 111 HD13 -0.06 -0.03 -0.11 -0.04 0.88 0.64 3h3eA1 THR 112 H 0.19 0.69 0.19 -0.55 8.28 8.80 3h3eA1 THR 112 HA 0.16 0.12 0.94 -0.75 4.39 4.85 3h3eA1 THR 112 HB 0.19 0.02 0.04 -0.04 4.32 4.53 3h3eA1 THR 112 HG23 0.30 0.00 -0.21 -0.04 1.22 1.27 3h3eA1 GLU 113 H 0.15 0.14 0.11 -0.55 8.60 8.46 3h3eA1 GLU 113 HA -0.12 0.13 0.82 -0.75 4.29 4.37 3h3eA1 GLU 113 HB2 0.14 -0.00 0.07 -0.04 2.09 2.25 3h3eA1 GLU 113 HB3 0.04 -0.01 0.10 -0.04 1.99 2.08 3h3eA1 GLU 113 HG2 -0.18 0.04 -0.31 -0.04 2.34 1.85 3h3eA1 GLU 113 HG3 -0.62 0.03 0.09 -0.04 2.34 1.80 3h3eA1 ILE 114 H -0.30 0.20 0.22 -0.55 8.25 7.82 3h3eA1 ILE 114 HA -0.36 0.11 0.58 -0.75 4.18 3.76 3h3eA1 ILE 114 HB -0.33 -0.02 0.15 -0.04 1.89 1.64 3h3eA1 ILE 114 HG12 -1.10 -0.03 -0.11 -0.04 1.49 0.21 3h3eA1 ILE 114 HG13 -0.33 0.00 -0.08 -0.04 1.21 0.77 3h3eA1 ILE 114 HG23 -0.57 -0.01 -0.24 -0.04 0.93 0.07 3h3eA1 ILE 114 HD13 -0.35 0.02 -0.13 -0.04 0.88 0.38 3h3eA1 GLY 115 H -0.26 0.17 0.09 -0.55 8.43 7.89 3h3eA1 GLY 115 HA2 -0.07 0.17 0.55 -0.51 4.01 4.14 3h3eA1 GLY 115 HA3 -0.11 0.04 0.33 -0.51 4.01 3.77 3h3eA1 LYS 116 H -0.07 0.15 0.13 -0.55 8.42 8.07 3h3eA1 LYS 116 HA -0.09 0.02 0.44 -0.75 4.32 3.93 3h3eA1 LYS 116 HB2 -0.03 0.03 0.10 -0.04 1.87 1.92 3h3eA1 LYS 116 HB3 -0.04 -0.02 0.15 -0.04 1.79 1.85 3h3eA1 LYS 116 HG2 -0.04 -0.02 0.13 -0.04 1.46 1.49 3h3eA1 LYS 116 HG3 -0.04 0.05 0.05 -0.04 1.46 1.47 3h3eA1 LYS 116 HD2 -0.01 0.01 -0.00 -0.04 1.69 1.65 3h3eA1 LYS 116 HD3 -0.01 -0.02 0.04 -0.04 1.68 1.65 3h3eA1 LYS 116 HE2 -0.02 0.03 0.01 -0.04 2.99 2.97 3h3eA1 LYS 116 HE3 -0.01 0.00 0.02 -0.04 2.99 2.96 3h3eA1 ASN 117 H -0.16 0.13 0.23 -0.55 8.53 8.18 3h3eA1 ASN 117 HA 0.03 0.03 0.30 -0.75 4.76 4.36 3h3eA1 ASN 117 HB2 -0.03 0.22 -0.18 -0.04 2.88 2.85 3h3eA1 ASN 117 HB3 0.02 0.12 0.24 -0.04 2.79 3.13 3h3eA1 ASN 117 HD21 0.01 -0.02 -0.05 -0.04 7.03 6.92 3h3eA1 ASN 117 HD22 -0.01 0.05 -0.16 -0.04 7.74 7.58 3h3eA1 PHE 119 HA 0.01 -0.07 0.48 -0.75 4.62 4.29 3h3eA1 PHE 119 HB2 0.15 -0.02 -0.03 -0.04 3.15 3.21 3h3eA1 PHE 119 HB3 0.17 -0.01 -0.14 -0.04 3.06 3.04 3h3eA1 PHE 119 HD2 0.08 0.08 -0.41 -0.04 7.28 6.98 3h3eA1 PHE 119 HE2 0.11 -0.00 -0.06 -0.04 7.38 7.38 3h3eA1 PHE 119 HZ 0.10 -0.01 -0.01 -0.04 7.32 7.37 3h3eA1 LEU 120 H 0.15 0.61 0.32 -0.55 8.37 8.90 3h3eA1 LEU 120 HA 0.12 0.32 1.07 -0.75 4.35 5.11 3h3eA1 LEU 120 HB2 0.12 -0.05 0.10 -0.04 1.64 1.77 3h3eA1 LEU 120 HB3 0.13 -0.01 -0.16 -0.04 1.64 1.57 3h3eA1 LEU 120 HG -0.05 0.01 -0.17 -0.04 1.64 1.38 3h3eA1 LEU 120 HD13 0.10 -0.02 -0.14 -0.04 0.93 0.84 3h3eA1 LEU 120 HD23 0.14 0.02 -0.24 -0.04 0.89 0.76 3h3eA1 LEU 121 H 0.12 0.70 0.36 -0.55 8.37 9.00 3h3eA1 LEU 121 HA 0.11 0.31 1.09 -0.75 4.35 5.11 3h3eA1 LEU 121 HB2 0.09 -0.03 0.09 -0.04 1.64 1.75 3h3eA1 LEU 121 HB3 0.07 0.06 -0.03 -0.04 1.64 1.70 3h3eA1 LEU 121 HG 0.11 0.06 0.02 -0.04 1.64 1.79 3h3eA1 LEU 121 HD13 0.25 -0.03 -0.41 -0.04 0.93 0.70 3h3eA1 LEU 121 HD23 0.16 -0.01 -0.14 -0.04 0.89 0.86 3h3eA1 GLY 122 H 0.07 0.53 0.25 -0.55 8.43 8.73 3h3eA1 GLY 122 HA2 0.08 0.02 0.31 -0.51 4.01 3.91 3h3eA1 GLY 122 HA3 0.06 0.05 0.36 -0.51 4.01 3.96 3h3eA1 PRO 123 HA 0.05 -0.04 0.34 -0.51 4.44 4.27 3h3eA1 PRO 123 HB2 0.03 -0.02 0.02 -0.04 2.28 2.27 3h3eA1 PRO 123 HB3 0.05 0.02 0.11 -0.04 2.02 2.16 3h3eA1 PRO 123 HG2 0.03 -0.06 0.13 -0.04 2.03 2.09 3h3eA1 PRO 123 HG3 0.05 0.13 0.01 -0.04 2.03 2.18 3h3eA1 PRO 123 HD2 0.04 0.04 0.13 -0.04 3.68 3.84 3h3eA1 PRO 123 HD3 0.05 0.11 0.17 -0.04 3.65 3.95 3h3eA1 ALA 124 H 0.02 -0.05 0.09 -0.55 8.40 7.91 3h3eA1 ALA 124 HA 0.01 0.11 0.38 -0.75 4.34 4.08 3h3eA1 ALA 124 HB3 -0.00 -0.01 -0.22 -0.04 1.41 1.13 3h3eA1 ASN 125 H 0.00 0.15 0.11 -0.55 8.53 8.25 3h3eA1 ASN 125 HA 0.01 0.04 0.56 -0.75 4.76 4.61 3h3eA1 ASN 125 HB2 0.00 0.08 0.12 -0.04 2.88 3.04 3h3eA1 ASN 125 HB3 -0.00 0.04 0.14 -0.04 2.79 2.93 3h3eA1 ASN 125 HD21 -0.00 -0.01 -0.00 -0.04 7.03 6.97 3h3eA1 ASN 125 HD22 -0.00 0.08 0.01 -0.04 7.74 7.78 3h3eA1 LEU 126 H 0.01 0.13 0.18 -0.55 8.37 8.15 3h3eA1 LEU 126 HA 0.01 0.21 0.34 -0.75 4.35 4.16 3h3eA1 LEU 126 HB2 0.02 -0.12 0.14 -0.04 1.64 1.63 3h3eA1 LEU 126 HB3 0.02 0.37 0.15 -0.04 1.64 2.14 3h3eA1 LEU 126 HG 0.03 0.08 0.04 -0.04 1.64 1.75 3h3eA1 LEU 126 HD13 0.04 0.00 0.08 -0.04 0.93 1.02 3h3eA1 LEU 126 HD23 0.04 0.05 -0.07 -0.04 0.89 0.87 3h3eA1 ARG 127 H 0.01 0.03 -0.37 -0.55 8.46 7.58 3h3eA1 ARG 127 HA 0.00 0.00 0.26 -0.75 4.34 3.85 3h3eA1 ARG 127 HB2 -0.00 0.07 -0.14 -0.04 1.90 1.79 3h3eA1 ARG 127 HB3 0.00 0.00 0.17 -0.04 1.80 1.93 3h3eA1 ARG 127 HG2 -0.00 0.00 -0.01 -0.04 1.67 1.62 3h3eA1 ARG 127 HG3 -0.00 -0.03 -0.13 -0.04 1.67 1.47 3h3eA1 ARG 127 HD2 -0.01 0.00 -0.10 -0.04 3.22 3.07 3h3eA1 ARG 127 HD3 -0.01 -0.01 -0.05 -0.04 3.22 3.12 3h3eA1 GLY 128 H 0.01 0.03 -0.29 -0.55 8.43 7.64 3h3eA1 GLY 128 HA2 0.01 -0.04 0.27 -0.51 4.01 3.74 3h3eA1 GLY 128 HA3 0.01 0.11 0.53 -0.51 4.01 4.15 3h3eA1 LYS 129 H 0.02 0.67 -0.37 -0.55 8.42 8.17 3h3eA1 LYS 129 HA 0.02 0.07 0.72 -0.75 4.32 4.38 3h3eA1 LYS 129 HB2 0.02 0.18 0.08 -0.04 1.87 2.10 3h3eA1 LYS 129 HB3 0.03 -0.05 0.02 -0.04 1.79 1.75 3h3eA1 LYS 129 HG2 0.02 -0.06 0.00 -0.04 1.46 1.39 3h3eA1 LYS 129 HG3 0.01 0.08 -0.06 -0.04 1.46 1.45 3h3eA1 LYS 129 HD2 0.01 -0.04 -0.03 -0.04 1.69 1.60 3h3eA1 LYS 129 HD3 0.01 0.04 -0.02 -0.04 1.68 1.66 3h3eA1 LYS 129 HE2 0.03 0.08 -0.05 -0.04 2.99 3.00 3h3eA1 LYS 129 HE3 0.03 -0.05 -0.01 -0.04 2.99 2.92 3h3eA1 VAL 130 H 0.04 0.21 0.16 -0.55 8.24 8.10 3h3eA1 VAL 130 HA 0.05 0.17 0.75 -0.75 4.13 4.35 3h3eA1 VAL 130 HB 0.05 0.02 0.05 -0.04 2.12 2.20 3h3eA1 VAL 130 HG13 0.03 0.00 -0.25 -0.04 0.97 0.70 3h3eA1 VAL 130 HG23 0.04 0.01 -0.07 -0.04 0.95 0.89 3h3eA1 PRO 131 HA 0.10 0.11 0.35 -0.51 4.44 4.48 3h3eA1 PRO 131 HB2 0.29 -0.00 0.02 -0.04 2.28 2.55 3h3eA1 PRO 131 HB3 0.11 -0.02 0.08 -0.04 2.02 2.15 3h3eA1 PRO 131 HG2 0.29 0.02 0.09 -0.04 2.03 2.38 3h3eA1 PRO 131 HG3 0.14 0.07 -0.04 -0.04 2.03 2.16 3h3eA1 PRO 131 HD2 0.10 0.07 0.15 -0.04 3.68 3.97 3h3eA1 PRO 131 HD3 0.09 0.14 0.21 -0.04 3.65 4.05 3h3eA1 THR 132 H 0.19 0.08 0.22 -0.55 8.28 8.23 3h3eA1 THR 132 HA 0.12 0.18 0.74 -0.75 4.39 4.68 3h3eA1 THR 132 HB 0.12 -0.03 0.09 -0.04 4.32 4.45 3h3eA1 THR 132 HG23 0.09 0.01 0.04 -0.04 1.22 1.31 3h3eA1 GLY 133 H 0.08 0.15 0.19 -0.55 8.43 8.30 3h3eA1 GLY 133 HA2 -0.03 0.00 0.32 -0.51 4.01 3.80 3h3eA1 GLY 133 HA3 -0.09 0.14 0.84 -0.51 4.01 4.39 3h3eA1 ASP 134 H -0.56 0.11 0.06 -0.55 8.40 7.46 3h3eA1 ASP 134 HA -0.08 0.29 0.85 -0.75 4.63 4.94 3h3eA1 ASP 134 HB2 -0.04 -0.01 -0.01 -0.04 2.71 2.61 3h3eA1 ASP 134 HB3 -0.02 -0.08 0.16 -0.04 2.70 2.72 3h3eA1 PHE 135 H -0.05 0.26 -0.23 -0.55 8.34 7.77 3h3eA1 PHE 135 HA 0.19 0.15 0.70 -0.75 4.62 4.90 3h3eA1 PHE 135 HB2 0.11 0.10 0.09 -0.04 3.15 3.41 3h3eA1 PHE 135 HB3 0.04 0.02 0.06 -0.04 3.06 3.14 3h3eA1 PHE 135 HD2 0.27 0.17 -0.02 -0.04 7.28 7.65 3h3eA1 PHE 135 HE2 0.19 0.11 0.02 -0.04 7.38 7.66 3h3eA1 PHE 135 HZ 0.31 -0.03 -0.02 -0.04 7.32 7.54 3h3eA1 PHE 136 H 0.46 0.69 0.41 -0.55 8.34 9.35 3h3eA1 PHE 136 HA 0.07 0.11 0.98 -0.75 4.62 5.02 3h3eA1 PHE 136 HB2 0.14 -0.06 0.01 -0.04 3.15 3.19 3h3eA1 PHE 136 HB3 0.04 0.10 0.08 -0.04 3.06 3.24 3h3eA1 PHE 136 HD2 0.06 0.02 -0.24 -0.04 7.28 7.08 3h3eA1 PHE 136 HE2 0.02 -0.03 -0.11 -0.04 7.38 7.22 3h3eA1 PHE 136 HZ 0.02 -0.02 -0.08 -0.04 7.32 7.19 3h3eA1 VAL 137 H 0.19 0.82 0.26 -0.55 8.24 8.95 3h3eA1 VAL 137 HA 0.18 0.19 0.71 -0.75 4.13 4.46 3h3eA1 VAL 137 HB -0.09 -0.07 -0.28 -0.04 2.12 1.65 3h3eA1 VAL 137 HG13 -0.01 0.01 -0.22 -0.04 0.97 0.71 3h3eA1 VAL 137 HG23 0.00 -0.01 -0.22 -0.04 0.95 0.68 3h3eA1 GLU 138 H 0.17 0.41 0.15 -0.55 8.60 8.77 3h3eA1 GLU 138 HA 0.07 0.44 1.01 -0.75 4.29 5.06 3h3eA1 GLU 138 HB2 0.24 0.03 0.15 -0.04 2.09 2.47 3h3eA1 GLU 138 HB3 0.10 -0.16 -0.11 -0.04 1.99 1.78 3h3eA1 GLU 138 HG2 -0.00 0.05 -0.29 -0.04 2.34 2.06 3h3eA1 GLU 138 HG3 0.05 0.01 -0.30 -0.04 2.34 2.06 3h3eA1 ARG 139 H 0.04 0.60 0.20 -0.55 8.46 8.75 3h3eA1 ARG 139 HA 0.04 0.12 0.97 -0.75 4.34 4.72 3h3eA1 ARG 139 HB2 0.02 -0.02 -0.00 -0.04 1.90 1.85 3h3eA1 ARG 139 HB3 0.02 0.06 0.20 -0.04 1.80 2.03 3h3eA1 ARG 139 HG2 0.00 0.04 -0.09 -0.04 1.67 1.57 3h3eA1 ARG 139 HG3 0.01 -0.01 0.05 -0.04 1.67 1.68 3h3eA1 ARG 139 HD2 -0.01 -0.03 -0.01 -0.04 3.22 3.13 3h3eA1 ARG 139 HD3 -0.01 0.01 -0.00 -0.04 3.22 3.18 3h3eA1 ASN 140 H 0.04 0.21 0.08 -0.55 8.53 8.31 3h3eA1 ASN 140 HA 0.02 0.06 0.31 -0.75 4.76 4.40 3h3eA1 ASN 140 HB2 0.01 0.33 0.28 -0.04 2.88 3.46 3h3eA1 ASN 140 HB3 0.01 0.02 0.21 -0.04 2.79 2.99 3h3eA1 ASN 140 HD21 -0.00 0.00 -0.07 -0.04 7.03 6.92 3h3eA1 ASN 140 HD22 0.00 0.08 -0.10 -0.04 7.74 7.68 3h3eA1 GLY 141 H 0.04 0.02 -0.29 -0.55 8.43 7.66 3h3eA1 GLY 141 HA2 0.02 -0.00 0.21 -0.51 4.01 3.74 3h3eA1 GLY 141 HA3 0.01 0.21 0.71 -0.51 4.01 4.43 3h3eA1 GLU 142 H 0.02 0.08 -0.48 -0.55 8.60 7.68 3h3eA1 GLU 142 HA 0.00 0.17 0.83 -0.75 4.29 4.54 3h3eA1 GLU 142 HB2 0.02 0.26 0.17 -0.04 2.09 2.49 3h3eA1 GLU 142 HB3 0.02 -0.01 -0.04 -0.04 1.99 1.92 3h3eA1 GLU 142 HG2 0.01 0.03 -0.20 -0.04 2.34 2.14 3h3eA1 GLU 142 HG3 0.01 -0.01 -0.02 -0.04 2.34 2.28 3h3eA1 ARG 143 H -0.00 0.22 0.08 -0.55 8.46 8.21 3h3eA1 ARG 143 HA 0.04 0.20 0.65 -0.75 4.34 4.47 3h3eA1 ARG 143 HB2 -0.09 -0.02 -0.02 -0.04 1.90 1.73 3h3eA1 ARG 143 HB3 -0.04 -0.00 0.18 -0.04 1.80 1.89 3h3eA1 ARG 143 HG2 0.06 0.10 -0.20 -0.04 1.67 1.59 3h3eA1 ARG 143 HG3 -0.19 -0.04 -0.10 -0.04 1.67 1.30 3h3eA1 ARG 143 HD2 -0.19 -0.01 -0.02 -0.04 3.22 2.95 3h3eA1 ARG 143 HD3 -0.14 -0.01 -0.05 -0.04 3.22 2.98 3h3eA1 ARG 144 H 0.09 0.56 0.43 -0.55 8.46 8.98 3h3eA1 ARG 144 HA 0.10 0.17 0.94 -0.75 4.34 4.79 3h3eA1 ARG 144 HB2 0.04 -0.01 0.06 -0.04 1.90 1.94 3h3eA1 ARG 144 HB3 0.03 -0.01 0.17 -0.04 1.80 1.95 3h3eA1 ARG 144 HG2 0.04 -0.02 -0.27 -0.04 1.67 1.37 3h3eA1 ARG 144 HG3 0.02 -0.02 -0.02 -0.04 1.67 1.61 3h3eA1 ARG 144 HD2 0.03 -0.01 0.02 -0.04 3.22 3.22 3h3eA1 ARG 144 HD3 0.04 0.09 -0.03 -0.04 3.22 3.28 3h3eA1 LYS 145 H 0.03 0.11 0.17 -0.55 8.42 8.17 3h3eA1 LYS 145 HA -0.33 0.19 0.76 -0.75 4.32 4.20 3h3eA1 LYS 145 HB2 -0.07 -0.01 0.14 -0.04 1.87 1.88 3h3eA1 LYS 145 HB3 -0.06 -0.03 0.01 -0.04 1.79 1.67 3h3eA1 LYS 145 HG2 -0.10 0.00 -0.01 -0.04 1.46 1.31 3h3eA1 LYS 145 HG3 -0.20 0.04 0.09 -0.04 1.46 1.35 3h3eA1 LYS 145 HD2 -0.95 0.00 0.04 -0.04 1.69 0.74 3h3eA1 LYS 145 HD3 -0.20 -0.04 0.01 -0.04 1.68 1.41 3h3eA1 LYS 145 HE2 -0.13 0.03 0.02 -0.04 2.99 2.86 3h3eA1 LYS 145 HE3 -0.36 0.08 0.04 -0.04 2.99 2.72 3h3eA1 ASP 146 H -0.16 0.55 0.06 -0.55 8.40 8.30 3h3eA1 ASP 146 HA -0.17 0.07 0.63 -0.75 4.63 4.41 3h3eA1 ASP 146 HB2 -0.15 -0.01 -0.56 -0.04 2.71 1.95 3h3eA1 ASP 146 HB3 -0.32 0.02 -0.12 -0.04 2.70 2.24 3h3eA1 LEU 147 H -0.11 0.13 0.12 -0.55 8.37 7.96 3h3eA1 LEU 147 HA 0.12 0.29 0.79 -0.75 4.35 4.80 3h3eA1 LEU 147 HB2 0.01 -0.06 0.01 -0.04 1.64 1.55 3h3eA1 LEU 147 HB3 0.05 0.08 0.10 -0.04 1.64 1.83 3h3eA1 LEU 147 HG -0.01 0.01 -0.08 -0.04 1.64 1.53 3h3eA1 LEU 147 HD13 0.02 0.02 -0.01 -0.04 0.93 0.91 3h3eA1 LEU 147 HD23 0.02 -0.01 -0.33 -0.04 0.89 0.53 3h3eA1 PHE 148 H -0.35 0.01 -0.11 -0.55 8.34 7.34 3h3eA1 PHE 148 HA -0.09 -0.04 0.28 -0.75 4.62 4.02 3h3eA1 PHE 148 HB2 -0.07 0.30 -0.21 -0.04 3.15 3.13 3h3eA1 PHE 148 HB3 -0.09 -0.11 0.16 -0.04 3.06 2.98 3h3eA1 PHE 148 HD2 -0.19 0.02 -0.27 -0.04 7.28 6.80 3h3eA1 PHE 148 HE2 -0.61 0.06 -0.09 -0.04 7.38 6.70 3h3eA1 PHE 148 HZ -1.72 0.01 -0.06 -0.04 7.32 5.51 3h3eA1 GLU 149 H -0.03 0.05 -0.06 -0.55 8.60 8.02 3h3eA1 GLU 149 HA 0.04 0.22 0.42 -0.75 4.29 4.22 3h3eA1 GLU 149 HB2 -0.02 -0.06 -0.01 -0.04 2.09 1.97 3h3eA1 GLU 149 HB3 0.00 0.09 0.11 -0.04 1.99 2.15 3h3eA1 GLU 149 HG2 -0.01 -0.17 -0.04 -0.04 2.34 2.07 3h3eA1 GLU 149 HG3 -0.01 0.02 0.01 -0.04 2.34 2.32 3h3eA1 ASP 150 H 0.03 -0.13 -0.69 -0.55 8.40 7.07 3h3eA1 ASP 150 HA 0.03 0.15 0.63 -0.75 4.63 4.69 3h3eA1 ASP 150 HB2 0.04 -0.02 0.01 -0.04 2.71 2.69 3h3eA1 ASP 150 HB3 -0.01 -0.02 -0.56 -0.04 2.70 2.07 3h3eA1 GLU 151 H 0.11 0.42 -0.14 -0.55 8.60 8.44 3h3eA1 GLU 151 HA 0.12 0.34 0.63 -0.75 4.29 4.63 3h3eA1 GLU 151 HB2 0.07 -0.17 0.17 -0.04 2.09 2.12 3h3eA1 GLU 151 HB3 0.06 0.11 0.18 -0.04 1.99 2.30 3h3eA1 GLU 151 HG2 0.01 0.13 -0.22 -0.04 2.34 2.22 3h3eA1 GLU 151 HG3 -0.03 0.05 0.11 -0.04 2.34 2.43 3h3eA1 GLN 152 H 0.11 0.47 0.50 -0.55 8.47 9.01 3h3eA1 GLN 152 HA 0.09 0.40 0.83 -0.75 4.36 4.93 3h3eA1 GLN 152 HB2 0.13 -0.01 -0.05 -0.04 2.15 2.18 3h3eA1 GLN 152 HB3 0.10 0.02 -0.19 -0.04 2.02 1.91 3h3eA1 GLN 152 HG2 0.10 0.07 0.11 -0.04 2.40 2.64 3h3eA1 GLN 152 HG3 0.12 -0.12 -0.15 -0.04 2.39 2.20 3h3eA1 GLN 152 HE21 0.15 -0.04 -0.27 -0.04 6.97 6.77 3h3eA1 GLN 152 HE22 0.07 0.37 0.09 -0.04 7.69 8.18 3h3eA1 THR 153 H 0.12 0.58 0.36 -0.55 8.28 8.79 3h3eA1 THR 153 HA 0.24 0.08 1.07 -0.75 4.39 5.03 3h3eA1 THR 153 HB 0.05 0.06 0.04 -0.04 4.32 4.44 3h3eA1 THR 153 HG23 -0.02 0.05 -0.17 -0.04 1.22 1.05 3h3eA1 LEU 154 H -0.04 0.47 0.36 -0.55 8.37 8.62 3h3eA1 LEU 154 HA 0.06 0.32 0.96 -0.75 4.35 4.94 3h3eA1 LEU 154 HB2 0.17 -0.08 0.04 -0.04 1.64 1.73 3h3eA1 LEU 154 HB3 -0.30 -0.06 0.22 -0.04 1.64 1.45 3h3eA1 LEU 154 HG -0.08 0.03 -0.32 -0.04 1.64 1.23 3h3eA1 LEU 154 HD13 -0.03 0.06 -0.07 -0.04 0.93 0.85 3h3eA1 LEU 154 HD23 -0.04 -0.02 -0.10 -0.04 0.89 0.69 3h3eA1 VAL 155 H 0.04 0.92 0.44 -0.55 8.24 9.09 3h3eA1 VAL 155 HA -0.11 0.19 1.00 -0.75 4.13 4.45 3h3eA1 VAL 155 HB -0.09 0.02 0.10 -0.04 2.12 2.12 3h3eA1 VAL 155 HG13 -0.59 -0.02 -0.18 -0.04 0.97 0.14 3h3eA1 VAL 155 HG23 -0.12 -0.02 -0.22 -0.04 0.95 0.55 3h3eA1 VAL 156 H -0.09 0.72 0.33 -0.55 8.24 8.65 3h3eA1 VAL 156 HA -0.03 0.34 1.01 -0.75 4.13 4.70 3h3eA1 VAL 156 HB -0.06 -0.12 0.15 -0.04 2.12 2.05 3h3eA1 VAL 156 HG13 -0.04 0.01 -0.13 -0.04 0.97 0.76 3h3eA1 VAL 156 HG23 -0.07 0.00 -0.15 -0.04 0.95 0.69 3h3eA1 ARG 157 H 0.04 0.94 0.26 -0.55 8.46 9.14 3h3eA1 ARG 157 HA -0.03 0.03 0.69 -0.75 4.34 4.27 3h3eA1 ARG 157 HB2 0.17 -0.01 0.02 -0.04 1.90 2.04 3h3eA1 ARG 157 HB3 0.14 -0.06 0.20 -0.04 1.80 2.04 3h3eA1 ARG 157 HG2 0.05 0.08 -0.23 -0.04 1.67 1.53 3h3eA1 ARG 157 HG3 0.07 -0.02 -0.06 -0.04 1.67 1.61 3h3eA1 ARG 157 HD2 0.21 -0.06 0.00 -0.04 3.22 3.33 3h3eA1 ARG 157 HD3 0.11 -0.01 -0.07 -0.04 3.22 3.21 3h3eA1 THR 158 H -0.02 0.56 0.34 -0.55 8.28 8.61 3h3eA1 THR 158 HA -0.03 0.06 0.73 -0.75 4.39 4.39 3h3eA1 THR 158 HB -0.04 0.34 0.14 -0.04 4.32 4.72 3h3eA1 THR 158 HG23 -0.04 -0.11 -0.10 -0.04 1.22 0.93 3h3eA1 LYS 159 H -0.03 0.47 0.06 -0.55 8.42 8.36 3h3eA1 LYS 159 HA -0.01 0.08 0.44 -0.75 4.32 4.08 3h3eA1 LYS 159 HB2 -0.01 -0.02 0.11 -0.04 1.87 1.90 3h3eA1 LYS 159 HB3 -0.02 0.12 0.11 -0.04 1.79 1.96 3h3eA1 LYS 159 HG2 -0.05 -0.09 -0.06 -0.04 1.46 1.22 3h3eA1 LYS 159 HG3 -0.03 0.02 -0.24 -0.04 1.46 1.17 3h3eA1 LYS 159 HD2 -0.03 -0.03 -0.02 -0.04 1.69 1.56 3h3eA1 LYS 159 HD3 -0.02 0.01 -0.00 -0.04 1.68 1.62 3h3eA1 LYS 159 HE2 -0.03 0.08 0.03 -0.04 2.99 3.03 3h3eA1 LYS 159 HE3 -0.07 -0.13 0.02 -0.04 2.99 2.77 3h3eA1 GLU 160 H -0.03 0.03 -0.39 -0.55 8.60 7.67 3h3eA1 GLU 160 HA -0.01 0.14 0.54 -0.75 4.29 4.20 3h3eA1 GLU 160 HB2 -0.02 0.03 -0.07 -0.04 2.09 1.99 3h3eA1 GLU 160 HB3 -0.01 0.03 0.08 -0.04 1.99 2.05 3h3eA1 GLU 160 HG2 -0.04 -0.10 -0.09 -0.04 2.34 2.07 3h3eA1 GLU 160 HG3 -0.04 -0.07 0.02 -0.04 2.34 2.21 3h3eA1 GLY 161 H -0.02 0.43 -0.35 -0.55 8.43 7.95 3h3eA1 GLY 161 HA2 -0.02 -0.01 0.30 -0.51 4.01 3.78 3h3eA1 GLY 161 HA3 -0.02 0.18 0.78 -0.51 4.01 4.44 3h3eA1 LEU 162 H -0.05 0.55 0.42 -0.55 8.37 8.74 3h3eA1 LEU 162 HA -0.09 0.23 0.87 -0.75 4.35 4.60 3h3eA1 LEU 162 HB2 -0.13 -0.08 0.07 -0.04 1.64 1.46 3h3eA1 LEU 162 HB3 -0.21 0.02 -0.08 -0.04 1.64 1.33 3h3eA1 LEU 162 HG -0.10 0.06 -0.22 -0.04 1.64 1.34 3h3eA1 LEU 162 HD13 -0.29 -0.01 -0.19 -0.04 0.93 0.40 3h3eA1 LEU 162 HD23 -0.27 -0.02 -0.16 -0.04 0.89 0.40 3h3eA1 VAL 163 H -0.08 0.87 0.42 -0.55 8.24 8.90 3h3eA1 VAL 163 HA -0.05 0.16 1.01 -0.75 4.13 4.50 3h3eA1 VAL 163 HB -0.06 -0.02 0.11 -0.04 2.12 2.11 3h3eA1 VAL 163 HG13 -0.05 0.01 -0.13 -0.04 0.97 0.77 3h3eA1 VAL 163 HG23 -0.04 0.02 -0.14 -0.04 0.95 0.74 3h3eA1 VAL 164 H -0.06 0.26 0.18 -0.55 8.24 8.07 3h3eA1 VAL 164 HA -0.11 0.37 1.03 -0.75 4.13 4.67 3h3eA1 VAL 164 HB -0.07 -0.03 0.10 -0.04 2.12 2.09 3h3eA1 VAL 164 HG13 -0.08 -0.00 -0.21 -0.04 0.97 0.63 3h3eA1 VAL 164 HG23 -0.12 0.01 -0.18 -0.04 0.95 0.62 3h3eA1 ILE 165 H -0.18 0.68 0.32 -0.55 8.25 8.51 3h3eA1 ILE 165 HA -0.15 0.41 1.15 -0.75 4.18 4.83 3h3eA1 ILE 165 HB -0.52 -0.04 0.12 -0.04 1.89 1.41 3h3eA1 ILE 165 HG12 -0.15 -0.00 -0.12 -0.04 1.49 1.18 3h3eA1 ILE 165 HG13 -0.11 0.08 -0.15 -0.04 1.21 0.99 3h3eA1 ILE 165 HG23 -0.64 -0.02 -0.12 -0.04 0.93 0.11 3h3eA1 ILE 165 HD13 -0.12 -0.04 -0.41 -0.04 0.88 0.27 3h3eA1 THR 166 H -0.07 0.66 0.38 -0.55 8.28 8.70 3h3eA1 THR 166 HA 0.11 0.16 1.00 -0.75 4.39 4.90 3h3eA1 THR 166 HB 0.02 0.10 -0.23 -0.04 4.32 4.17 3h3eA1 THR 166 HG23 0.17 0.04 -0.32 -0.04 1.22 1.06 3h3eA1 GLY 167 H 0.31 0.12 0.21 -0.55 8.43 8.53 3h3eA1 GLY 167 HA2 0.53 0.17 0.69 -0.51 4.01 4.89 3h3eA1 GLY 167 HA3 0.41 -0.02 0.39 -0.51 4.01 4.29 3h3eA1 CYS 168 H -0.12 -0.09 0.16 -0.55 8.50 7.90 3h3eA1 CYS 168 HA -0.04 0.12 0.80 -0.75 4.58 4.71 3h3eA1 CYS 168 HB2 -0.36 -0.06 -0.13 -0.04 2.97 2.39 3h3eA1 CYS 168 HB3 -0.96 0.04 -0.17 -0.04 2.97 1.84 3h3eA1 SER 169 H -0.18 -0.12 0.08 -0.55 8.46 7.70 3h3eA1 SER 169 HA -0.12 0.03 0.24 -0.75 4.49 3.88 3h3eA1 SER 169 HB2 0.03 0.21 0.02 -0.04 3.95 4.17 3h3eA1 SER 169 HB3 -0.03 -0.13 -0.06 -0.04 3.93 3.67 3h3eA1 HIS 170 H -0.39 0.05 -0.06 -0.55 8.41 7.47 3h3eA1 HIS 170 HA -0.40 0.19 0.35 -0.75 4.63 4.02 3h3eA1 HIS 170 HB2 -1.06 -0.05 0.03 -0.04 3.26 2.14 3h3eA1 HIS 170 HB3 -1.27 0.11 -0.06 -0.04 3.20 1.93 3h3eA1 HIS 170 HD2 -0.79 0.12 -0.00 -0.04 6.97 6.25 3h3eA1 HIS 170 HE1 0.05 -0.05 -0.09 -0.04 7.75 7.62 3h3eA1 ARG 171 H -0.10 -0.03 -0.21 -0.55 8.46 7.56 3h3eA1 ARG 171 HA 0.01 0.19 0.48 -0.75 4.34 4.27 3h3eA1 ARG 171 HB2 -0.01 -0.10 -0.04 -0.04 1.90 1.70 3h3eA1 ARG 171 HB3 0.01 0.14 -0.03 -0.04 1.80 1.88 3h3eA1 ARG 171 HG2 0.07 0.12 -0.04 -0.04 1.67 1.78 3h3eA1 ARG 171 HG3 0.03 -0.15 0.04 -0.04 1.67 1.55 3h3eA1 ARG 171 HD2 0.04 -0.18 0.06 -0.04 3.22 3.10 3h3eA1 ARG 171 HD3 0.03 0.38 0.00 -0.04 3.22 3.59 3h3eA1 GLY 172 H -0.05 0.12 -0.77 -0.55 8.43 7.18 3h3eA1 GLY 172 HA2 -0.00 0.09 0.27 -0.51 4.01 3.87 3h3eA1 GLY 172 HA3 -0.01 0.20 0.70 -0.51 4.01 4.39 3h3eA1 ILE 173 H -0.02 0.28 0.12 -0.55 8.25 8.08 3h3eA1 ILE 173 HA -0.10 0.06 0.28 -0.75 4.18 3.65 3h3eA1 ILE 173 HB -0.17 0.04 0.05 -0.04 1.89 1.77 3h3eA1 ILE 173 HG12 -1.17 0.04 -0.17 -0.04 1.49 0.15 3h3eA1 ILE 173 HG13 -0.33 0.05 -0.23 -0.04 1.21 0.66 3h3eA1 ILE 173 HG23 -0.04 0.02 -0.05 -0.04 0.93 0.81 3h3eA1 ILE 173 HD13 -0.19 -0.01 -0.09 -0.04 0.88 0.55 3h3eA1 ASP 174 H -0.03 0.06 -0.16 -0.55 8.40 7.73 3h3eA1 ASP 174 HA -0.14 0.15 0.51 -0.75 4.63 4.40 3h3eA1 ASP 174 HB2 -0.03 0.09 -0.03 -0.04 2.71 2.70 3h3eA1 ASP 174 HB3 0.00 0.02 0.07 -0.04 2.70 2.75 3h3eA1 ASN 175 H -0.03 0.08 -0.31 -0.55 8.53 7.73 3h3eA1 ASN 175 HA -0.03 0.06 0.40 -0.75 4.76 4.44 3h3eA1 ASN 175 HB2 -0.02 0.09 -0.09 -0.04 2.88 2.82 3h3eA1 ASN 175 HB3 -0.01 0.08 -0.17 -0.04 2.79 2.64 3h3eA1 ASN 175 HD21 0.01 0.08 -0.00 -0.04 7.03 7.07 3h3eA1 ASN 175 HD22 0.00 0.51 0.14 -0.04 7.74 8.35 3h3eA1 ILE 176 H -0.06 0.40 -0.43 -0.55 8.25 7.61 3h3eA1 ILE 176 HA -0.03 0.03 0.30 -0.75 4.18 3.73 3h3eA1 ILE 176 HB -0.09 0.10 0.08 -0.04 1.89 1.93 3h3eA1 ILE 176 HG12 -0.02 0.02 -0.10 -0.04 1.49 1.36 3h3eA1 ILE 176 HG13 -0.04 0.16 -0.17 -0.04 1.21 1.12 3h3eA1 ILE 176 HG23 -0.05 0.00 -0.22 -0.04 0.93 0.62 3h3eA1 ILE 176 HD13 -0.04 -0.07 -0.18 -0.04 0.88 0.55 3h3eA1 LEU 177 H -0.15 0.39 -0.25 -0.55 8.37 7.83 3h3eA1 LEU 177 HA -0.13 0.04 0.34 -0.75 4.35 3.84 3h3eA1 LEU 177 HB2 -0.25 0.04 0.10 -0.04 1.64 1.48 3h3eA1 LEU 177 HB3 -0.24 0.03 -0.04 -0.04 1.64 1.35 3h3eA1 LEU 177 HG -0.38 0.19 0.01 -0.04 1.64 1.41 3h3eA1 LEU 177 HD13 -1.06 -0.01 -0.12 -0.04 0.93 -0.30 3h3eA1 LEU 177 HD23 -0.25 -0.01 -0.10 -0.04 0.89 0.49 3h3eA1 LEU 178 H -0.08 0.54 -0.14 -0.55 8.37 8.14 3h3eA1 LEU 178 HA -0.05 0.06 0.44 -0.75 4.35 4.05 3h3eA1 LEU 178 HB2 -0.04 0.05 0.08 -0.04 1.64 1.70 3h3eA1 LEU 178 HB3 -0.03 -0.03 -0.02 -0.04 1.64 1.52 3h3eA1 LEU 178 HG -0.07 0.13 0.05 -0.04 1.64 1.71 3h3eA1 LEU 178 HD13 -0.03 -0.04 -0.14 -0.04 0.93 0.68 3h3eA1 LEU 178 HD23 -0.04 -0.01 -0.03 -0.04 0.89 0.77 3h3eA1 ASP 179 H -0.03 0.55 -0.26 -0.55 8.40 8.12 3h3eA1 ASP 179 HA -0.01 -0.00 0.43 -0.75 4.63 4.30 3h3eA1 ASP 179 HB2 -0.01 0.14 0.16 -0.04 2.71 2.96 3h3eA1 ASP 179 HB3 0.01 0.00 -0.06 -0.04 2.70 2.62 3h3eA1 ILE 180 H -0.01 0.39 -0.29 -0.55 8.25 7.79 3h3eA1 ILE 180 HA 0.16 -0.01 0.41 -0.75 4.18 3.99 3h3eA1 ILE 180 HB -0.05 0.15 0.18 -0.04 1.89 2.13 3h3eA1 ILE 180 HG12 0.01 -0.05 -0.06 -0.04 1.49 1.36 3h3eA1 ILE 180 HG13 -0.01 0.20 0.05 -0.04 1.21 1.41 3h3eA1 ILE 180 HG23 -0.10 -0.01 -0.16 -0.04 0.93 0.63 3h3eA1 ILE 180 HD13 -0.09 -0.04 -0.14 -0.04 0.88 0.57 3h3eA1 ALA 181 H -0.02 0.74 0.04 -0.55 8.40 8.62 3h3eA1 ALA 181 HA 0.02 0.11 0.46 -0.75 4.34 4.18 3h3eA1 ALA 181 HB3 -0.02 0.00 0.10 -0.04 1.41 1.45 3h3eA1 GLU 182 H 0.00 0.39 -0.48 -0.55 8.60 7.97 3h3eA1 GLU 182 HA -0.02 0.07 0.56 -0.75 4.29 4.15 3h3eA1 GLU 182 HB2 -0.02 0.07 0.02 -0.04 2.09 2.12 3h3eA1 GLU 182 HB3 -0.02 -0.11 0.10 -0.04 1.99 1.91 3h3eA1 GLU 182 HG2 -0.02 -0.07 -0.04 -0.04 2.34 2.17 3h3eA1 GLU 182 HG3 -0.01 0.58 0.07 -0.04 2.34 2.94 3h3eA1 THR 183 H 0.02 0.45 -0.32 -0.55 8.28 7.88 3h3eA1 THR 183 HA -0.17 0.07 0.65 -0.75 4.39 4.19 3h3eA1 THR 183 HB 0.02 0.10 0.13 -0.04 4.32 4.53 3h3eA1 THR 183 HG23 -0.66 -0.05 -0.12 -0.04 1.22 0.36 3h3eA1 PHE 184 H 0.16 0.59 0.14 -0.55 8.34 8.68 3h3eA1 PHE 184 HA -0.10 0.09 0.94 -0.75 4.62 4.79 3h3eA1 PHE 184 HB2 -0.08 0.13 0.06 -0.04 3.15 3.22 3h3eA1 PHE 184 HB3 -0.08 -0.15 0.00 -0.04 3.06 2.79 3h3eA1 PHE 184 HD2 -0.15 0.07 -0.01 -0.04 7.28 7.15 3h3eA1 PHE 184 HE2 -0.65 -0.02 -0.11 -0.04 7.38 6.56 3h3eA1 PHE 184 HZ -0.68 -0.01 -0.14 -0.04 7.32 6.44 3h3eA1 ASN 185 H 0.01 0.12 0.09 -0.55 8.53 8.21 3h3eA1 ASN 185 HA 0.01 0.18 0.52 -0.75 4.76 4.72 3h3eA1 ASN 185 HB2 -0.01 -0.00 0.08 -0.04 2.88 2.91 3h3eA1 ASN 185 HB3 0.01 -0.03 0.01 -0.04 2.79 2.74 3h3eA1 ASN 185 HD21 -0.00 -0.02 0.02 -0.04 7.03 6.98 3h3eA1 ASN 185 HD22 -0.01 -0.03 0.01 -0.04 7.74 7.68 3h3eA1 GLU 186 H 0.11 -0.06 -0.64 -0.55 8.60 7.47 3h3eA1 GLU 186 HA 0.02 0.11 0.55 -0.75 4.29 4.22 3h3eA1 GLU 186 HB2 0.06 -0.06 -0.05 -0.04 2.09 2.00 3h3eA1 GLU 186 HB3 -0.00 0.09 -0.09 -0.04 1.99 1.95 3h3eA1 GLU 186 HG2 0.03 0.06 -0.06 -0.04 2.34 2.32 3h3eA1 GLU 186 HG3 0.03 0.03 -0.05 -0.04 2.34 2.31 3h3eA1 ARG 187 H 0.00 0.08 0.13 -0.55 8.46 8.12 3h3eA1 ARG 187 HA -0.01 0.18 0.55 -0.75 4.34 4.31 3h3eA1 ARG 187 HB2 -0.00 0.00 0.08 -0.04 1.90 1.94 3h3eA1 ARG 187 HB3 -0.00 -0.04 0.09 -0.04 1.80 1.80 3h3eA1 ARG 187 HG2 0.00 0.08 -0.27 -0.04 1.67 1.44 3h3eA1 ARG 187 HG3 -0.00 0.08 0.09 -0.04 1.67 1.80 3h3eA1 ARG 187 HD2 0.00 -0.08 -0.00 -0.04 3.22 3.10 3h3eA1 ARG 187 HD3 0.01 0.14 0.02 -0.04 3.22 3.35 3h3eA1 ILE 188 H -0.02 0.30 0.14 -0.55 8.25 8.12 3h3eA1 ILE 188 HA -0.06 -0.02 0.84 -0.75 4.18 4.19 3h3eA1 ILE 188 HB -0.05 0.09 0.11 -0.04 1.89 2.00 3h3eA1 ILE 188 HG12 -0.10 -0.04 -0.08 -0.04 1.49 1.23 3h3eA1 ILE 188 HG13 -0.06 0.08 -0.05 -0.04 1.21 1.14 3h3eA1 ILE 188 HG23 -0.07 -0.02 -0.14 -0.04 0.93 0.66 3h3eA1 ILE 188 HD13 -0.11 -0.01 -0.02 -0.04 0.88 0.70 3h3eA1 LYS 189 H -0.03 0.41 0.25 -0.55 8.42 8.51 3h3eA1 LYS 189 HA 0.02 0.17 0.49 -0.75 4.32 4.25 3h3eA1 LYS 189 HB2 -0.01 0.14 -0.15 -0.04 1.87 1.82 3h3eA1 LYS 189 HB3 -0.01 0.13 -0.14 -0.04 1.79 1.73 3h3eA1 LYS 189 HG2 0.02 -0.01 0.00 -0.04 1.46 1.43 3h3eA1 LYS 189 HG3 0.02 0.00 0.03 -0.04 1.46 1.47 3h3eA1 LYS 189 HD2 -0.01 -0.00 -0.25 -0.04 1.69 1.38 3h3eA1 LYS 189 HD3 -0.01 0.00 -0.19 -0.04 1.68 1.44 3h3eA1 LYS 189 HE2 0.01 0.03 -0.01 -0.04 2.99 2.97 3h3eA1 LYS 189 HE3 -0.01 -0.12 -0.01 -0.04 2.99 2.80 3h3eA1 VAL 191 HA 0.02 -0.04 0.41 -0.75 4.13 3.76 3h3eA1 VAL 191 HB 0.31 -0.06 0.05 -0.04 2.12 2.38 3h3eA1 VAL 191 HG13 0.10 -0.03 -0.24 -0.04 0.97 0.76 3h3eA1 VAL 191 HG23 -0.04 0.00 -0.10 -0.04 0.95 0.77 3h3eA1 VAL 192 H 0.01 0.70 0.37 -0.55 8.24 8.77 3h3eA1 VAL 192 HA -0.01 0.27 1.09 -0.75 4.13 4.73 3h3eA1 VAL 192 HB -0.03 0.03 0.07 -0.04 2.12 2.14 3h3eA1 VAL 192 HG13 -0.02 0.02 -0.09 -0.04 0.97 0.83 3h3eA1 VAL 192 HG23 0.05 -0.05 -0.14 -0.04 0.95 0.77 3h3eA1 GLY 193 H -0.25 0.55 0.39 -0.55 8.43 8.57 3h3eA1 GLY 193 HA2 -0.68 -0.05 0.35 -0.51 4.01 3.12 3h3eA1 GLY 193 HA3 -0.20 0.35 1.03 -0.51 4.01 4.68 3h3eA1 GLY 194 H -0.44 0.42 0.08 -0.55 8.43 7.95 3h3eA1 GLY 194 HA2 -0.45 0.19 0.73 -0.51 4.01 3.97 3h3eA1 GLY 194 HA3 -0.17 -0.05 0.38 -0.51 4.01 3.66 3h3eA1 PHE 195 H -0.23 -0.01 0.17 -0.55 8.34 7.72 3h3eA1 PHE 195 HA -0.06 0.23 0.70 -0.75 4.62 4.73 3h3eA1 PHE 195 HB2 -0.06 -0.05 -0.06 -0.04 3.15 2.93 3h3eA1 PHE 195 HB3 0.02 -0.02 0.02 -0.04 3.06 3.03 3h3eA1 PHE 195 HD2 -0.20 0.05 -0.51 -0.04 7.28 6.58 3h3eA1 PHE 195 HE2 -0.46 0.03 -0.35 -0.04 7.38 6.56 3h3eA1 PHE 195 HZ -0.11 0.16 -0.31 -0.04 7.32 7.02 3h3eA1 HIS 196 H 0.00 -0.17 -0.08 -0.55 8.41 7.62 3h3eA1 HIS 196 HA -0.06 -0.07 0.22 -0.75 4.63 3.97 3h3eA1 HIS 196 HB2 -0.26 0.19 -0.21 -0.04 3.26 2.94 3h3eA1 HIS 196 HB3 -0.11 0.19 0.08 -0.04 3.20 3.32 3h3eA1 HIS 196 HD2 0.13 0.03 0.03 -0.04 6.97 7.11 3h3eA1 HIS 196 HE1 0.32 -0.01 -0.02 -0.04 7.75 7.99 3h3eA1 LEU 197 H -0.06 0.27 -0.00 -0.55 8.37 8.04 3h3eA1 LEU 197 HA 0.02 0.20 0.87 -0.75 4.35 4.69 3h3eA1 LEU 197 HB2 0.05 0.17 0.07 -0.04 1.64 1.89 3h3eA1 LEU 197 HB3 0.06 -0.04 0.13 -0.04 1.64 1.74 3h3eA1 LEU 197 HG 0.15 -0.04 -0.62 -0.04 1.64 1.08 3h3eA1 LEU 197 HD13 0.25 -0.01 -0.09 -0.04 0.93 1.04 3h3eA1 LEU 197 HD23 0.09 0.02 -0.10 -0.04 0.89 0.87 3h3eA1 LEU 198 H -0.20 0.10 -0.09 -0.55 8.37 7.64 3h3eA1 LEU 198 HA -0.05 0.05 0.51 -0.75 4.35 4.11 3h3eA1 LEU 198 HB2 -0.20 -0.03 0.09 -0.04 1.64 1.46 3h3eA1 LEU 198 HB3 -0.08 0.03 -0.01 -0.04 1.64 1.54 3h3eA1 LEU 198 HG -0.10 0.19 -0.02 -0.04 1.64 1.68 3h3eA1 LEU 198 HD13 -0.07 -0.01 0.02 -0.04 0.93 0.83 3h3eA1 LEU 198 HD23 -0.04 -0.03 0.10 -0.04 0.89 0.88 3h3eA1 LYS 199 H -0.09 0.09 -0.23 -0.55 8.42 7.64 3h3eA1 LYS 199 HA -0.01 0.22 0.77 -0.75 4.32 4.55 3h3eA1 LYS 199 HB2 0.03 0.00 -0.02 -0.04 1.87 1.84 3h3eA1 LYS 199 HB3 0.04 0.00 0.13 -0.04 1.79 1.91 3h3eA1 LYS 199 HG2 -0.01 0.08 -0.11 -0.04 1.46 1.38 3h3eA1 LYS 199 HG3 -0.01 -0.04 -0.09 -0.04 1.46 1.29 3h3eA1 LYS 199 HD2 0.03 -0.08 0.01 -0.04 1.69 1.60 3h3eA1 LYS 199 HD3 0.02 0.04 0.04 -0.04 1.68 1.73 3h3eA1 LYS 199 HE2 0.00 0.03 -0.00 -0.04 2.99 2.98 3h3eA1 LYS 199 HE3 -0.00 0.03 -0.02 -0.04 2.99 2.96 3h3eA1 SER 200 H 0.00 0.19 -0.44 -0.55 8.46 7.66 3h3eA1 SER 200 HA 0.03 0.12 0.77 -0.75 4.49 4.66 3h3eA1 SER 200 HB2 0.03 0.08 0.09 -0.04 3.95 4.11 3h3eA1 SER 200 HB3 0.04 -0.03 0.00 -0.04 3.93 3.90 3h3eA1 SER 201 H 0.02 0.10 0.18 -0.55 8.46 8.22 3h3eA1 SER 201 HA 0.01 0.20 0.56 -0.75 4.49 4.51 3h3eA1 SER 201 HB2 0.01 0.02 0.16 -0.04 3.95 4.10 3h3eA1 SER 201 HB3 0.01 0.14 0.15 -0.04 3.93 4.19 3h3eA1 ASP 202 H 0.01 0.22 0.17 -0.55 8.40 8.25 3h3eA1 ASP 202 HA 0.01 0.11 0.35 -0.75 4.63 4.34 3h3eA1 ASP 202 HB2 0.00 -0.02 0.13 -0.04 2.71 2.77 3h3eA1 ASP 202 HB3 0.00 0.08 0.01 -0.04 2.70 2.75 3h3eA1 ASP 203 H 0.00 0.07 -0.19 -0.55 8.40 7.74 3h3eA1 ASP 203 HA -0.00 0.12 0.45 -0.75 4.63 4.45 3h3eA1 ASP 203 HB2 0.01 -0.08 0.07 -0.04 2.71 2.66 3h3eA1 ASP 203 HB3 0.00 0.08 -0.06 -0.04 2.70 2.68 3h3eA1 GLU 204 H 0.01 -0.01 -0.23 -0.55 8.60 7.83 3h3eA1 GLU 204 HA 0.01 0.07 0.37 -0.75 4.29 3.99 3h3eA1 GLU 204 HB2 0.02 0.08 0.18 -0.04 2.09 2.33 3h3eA1 GLU 204 HB3 0.03 0.04 0.03 -0.04 1.99 2.04 3h3eA1 GLU 204 HG2 0.02 0.08 0.07 -0.04 2.34 2.47 3h3eA1 GLU 204 HG3 0.02 -0.08 0.11 -0.04 2.34 2.35 3h3eA1 ILE 205 H 0.01 0.59 -0.20 -0.55 8.25 8.10 3h3eA1 ILE 205 HA 0.02 0.00 0.40 -0.75 4.18 3.85 3h3eA1 ILE 205 HB 0.01 0.10 0.06 -0.04 1.89 2.01 3h3eA1 ILE 205 HG12 0.07 -0.06 -0.02 -0.04 1.49 1.44 3h3eA1 ILE 205 HG13 0.03 0.01 -0.13 -0.04 1.21 1.08 3h3eA1 ILE 205 HG23 0.02 -0.02 -0.10 -0.04 0.93 0.79 3h3eA1 ILE 205 HD13 0.03 0.02 -0.14 -0.04 0.88 0.75 3h3eA1 GLU 206 H -0.02 0.51 -0.15 -0.55 8.60 8.39 3h3eA1 GLU 206 HA -0.09 0.05 0.48 -0.75 4.29 3.98 3h3eA1 GLU 206 HB2 -0.02 0.05 0.15 -0.04 2.09 2.22 3h3eA1 GLU 206 HB3 -0.03 0.01 0.02 -0.04 1.99 1.94 3h3eA1 GLU 206 HG2 -0.04 -0.02 -0.00 -0.04 2.34 2.23 3h3eA1 GLU 206 HG3 -0.02 0.42 0.11 -0.04 2.34 2.81 3h3eA1 LYS 207 H -0.02 0.56 -0.08 -0.55 8.42 8.33 3h3eA1 LYS 207 HA -0.01 0.04 0.42 -0.75 4.32 4.02 3h3eA1 LYS 207 HB2 -0.00 0.15 0.16 -0.04 1.87 2.14 3h3eA1 LYS 207 HB3 0.00 0.02 -0.03 -0.04 1.79 1.74 3h3eA1 LYS 207 HG2 -0.00 -0.01 0.03 -0.04 1.46 1.44 3h3eA1 LYS 207 HG3 0.00 -0.02 -0.00 -0.04 1.46 1.40 3h3eA1 LYS 207 HD2 0.00 -0.00 -0.03 -0.04 1.69 1.61 3h3eA1 LYS 207 HD3 -0.00 -0.02 0.08 -0.04 1.68 1.69 3h3eA1 LYS 207 HE2 -0.00 -0.01 -0.01 -0.04 2.99 2.93 3h3eA1 LYS 207 HE3 -0.00 0.02 -0.01 -0.04 2.99 2.95 3h3eA1 ILE 208 H -0.02 0.28 -0.53 -0.55 8.25 7.43 3h3eA1 ILE 208 HA 0.04 0.02 0.48 -0.75 4.18 3.97 3h3eA1 ILE 208 HB 0.01 0.18 0.18 -0.04 1.89 2.22 3h3eA1 ILE 208 HG12 0.05 -0.18 0.02 -0.04 1.49 1.33 3h3eA1 ILE 208 HG13 0.03 0.11 -0.01 -0.04 1.21 1.30 3h3eA1 ILE 208 HG23 0.16 -0.02 -0.18 -0.04 0.93 0.85 3h3eA1 ILE 208 HD13 0.06 -0.01 -0.05 -0.04 0.88 0.84 3h3eA1 VAL 209 H -0.20 0.59 0.05 -0.55 8.24 8.13 3h3eA1 VAL 209 HA -0.48 -0.01 0.38 -0.75 4.13 3.26 3h3eA1 VAL 209 HB -0.21 0.10 0.08 -0.04 2.12 2.05 3h3eA1 VAL 209 HG13 -0.19 0.00 -0.23 -0.04 0.97 0.51 3h3eA1 VAL 209 HG23 -0.99 0.06 -0.05 -0.04 0.95 -0.08 3h3eA1 LYS 210 H -0.04 0.61 -0.33 -0.55 8.42 8.11 3h3eA1 LYS 210 HA 0.02 0.04 0.42 -0.75 4.32 4.03 3h3eA1 LYS 210 HB2 -0.01 0.04 0.08 -0.04 1.87 1.94 3h3eA1 LYS 210 HB3 -0.00 0.18 0.11 -0.04 1.79 2.04 3h3eA1 LYS 210 HG2 0.01 -0.03 -0.10 -0.04 1.46 1.30 3h3eA1 LYS 210 HG3 -0.00 -0.01 0.02 -0.04 1.46 1.43 3h3eA1 LYS 210 HD2 -0.00 -0.04 -0.01 -0.04 1.69 1.59 3h3eA1 LYS 210 HD3 -0.00 0.03 -0.02 -0.04 1.68 1.65 3h3eA1 LYS 210 HE2 -0.00 -0.02 -0.02 -0.04 2.99 2.91 3h3eA1 LYS 210 HE3 -0.00 0.01 -0.03 -0.04 2.99 2.93 3h3eA1 ALA 211 H 0.05 0.35 -0.28 -0.55 8.40 7.97 3h3eA1 ALA 211 HA 0.01 0.02 0.41 -0.75 4.34 4.03 3h3eA1 ALA 211 HB3 -0.01 0.02 0.10 -0.04 1.41 1.47 3h3eA1 PHE 212 H 0.34 0.44 -0.10 -0.55 8.34 8.47 3h3eA1 PHE 212 HA 0.05 0.00 0.40 -0.75 4.62 4.31 3h3eA1 PHE 212 HB2 0.03 0.12 0.15 -0.04 3.15 3.42 3h3eA1 PHE 212 HB3 0.28 0.04 -0.08 -0.04 3.06 3.27 3h3eA1 PHE 212 HD2 -0.06 0.17 -0.13 -0.04 7.28 7.21 3h3eA1 PHE 212 HE2 -0.15 -0.03 -0.16 -0.04 7.38 6.99 3h3eA1 PHE 212 HZ -0.82 -0.07 -0.18 -0.04 7.32 6.21 3h3eA1 ASN 213 H 0.22 0.54 -0.18 -0.55 8.53 8.56 3h3eA1 ASN 213 HA 0.11 0.06 0.44 -0.75 4.76 4.62 3h3eA1 ASN 213 HB2 0.06 0.10 0.22 -0.04 2.88 3.22 3h3eA1 ASN 213 HB3 0.02 -0.03 0.03 -0.04 2.79 2.77 3h3eA1 ASN 213 HD21 0.02 0.36 0.13 -0.04 7.03 7.51 3h3eA1 ASN 213 HD22 0.02 -0.07 0.01 -0.04 7.74 7.65 3h3eA1 GLU 214 H 0.05 0.72 0.06 -0.55 8.60 8.88 3h3eA1 GLU 214 HA 0.01 -0.02 0.40 -0.75 4.29 3.93 3h3eA1 GLU 214 HB2 0.00 0.06 0.13 -0.04 2.09 2.24 3h3eA1 GLU 214 HB3 -0.00 -0.06 0.03 -0.04 1.99 1.91 3h3eA1 GLU 214 HG2 0.02 0.35 0.12 -0.04 2.34 2.79 3h3eA1 GLU 214 HG3 0.00 -0.11 -0.07 -0.04 2.34 2.12 3h3eA1 LEU 215 H 0.02 0.47 -0.41 -0.55 8.37 7.90 3h3eA1 LEU 215 HA -0.01 0.08 0.56 -0.75 4.35 4.22 3h3eA1 LEU 215 HB2 -0.06 0.05 0.07 -0.04 1.64 1.65 3h3eA1 LEU 215 HB3 -0.05 -0.06 0.13 -0.04 1.64 1.61 3h3eA1 LEU 215 HG -0.05 0.09 -0.01 -0.04 1.64 1.63 3h3eA1 LEU 215 HD13 -0.14 -0.03 -0.16 -0.04 0.93 0.55 3h3eA1 LEU 215 HD23 -0.04 -0.01 -0.06 -0.04 0.89 0.74 3h3eA1 GLY 216 H 0.04 0.49 -0.41 -0.55 8.43 8.00 3h3eA1 GLY 216 HA2 0.02 0.04 0.31 -0.51 4.01 3.87 3h3eA1 GLY 216 HA3 0.01 -0.04 0.39 -0.51 4.01 3.87 3h3eA1 VAL 217 H 0.14 0.35 -0.07 -0.55 8.24 8.11 3h3eA1 VAL 217 HA 0.11 0.37 0.57 -0.75 4.13 4.43 3h3eA1 VAL 217 HB 0.50 -0.11 -0.04 -0.04 2.12 2.43 3h3eA1 VAL 217 HG13 0.28 -0.04 -0.35 -0.04 0.97 0.82 3h3eA1 VAL 217 HG23 -0.08 -0.02 -0.06 -0.04 0.95 0.76 3h3eA1 GLU 218 H 0.14 0.42 0.30 -0.55 8.60 8.92 3h3eA1 GLU 218 HA 0.07 0.08 0.62 -0.75 4.29 4.30 3h3eA1 GLU 218 HB2 0.05 0.05 0.13 -0.04 2.09 2.28 3h3eA1 GLU 218 HB3 0.07 0.11 0.23 -0.04 1.99 2.35 3h3eA1 GLU 218 HG2 0.03 -0.05 0.03 -0.04 2.34 2.31 3h3eA1 GLU 218 HG3 0.05 -0.06 -0.10 -0.04 2.34 2.20 3h3eA1 THR 219 H 0.18 0.52 0.33 -0.55 8.28 8.77 3h3eA1 THR 219 HA 0.27 0.26 1.09 -0.75 4.39 5.26 3h3eA1 THR 219 HB 0.08 -0.01 -0.08 -0.04 4.32 4.26 3h3eA1 THR 219 HG23 0.06 -0.02 -0.17 -0.04 1.22 1.06 3h3eA1 VAL 220 H 0.11 0.68 0.35 -0.55 8.24 8.83 3h3eA1 VAL 220 HA 0.03 0.42 1.02 -0.75 4.13 4.84 3h3eA1 VAL 220 HB -0.41 -0.05 0.02 -0.04 2.12 1.64 3h3eA1 VAL 220 HG13 -0.28 -0.03 -0.15 -0.04 0.97 0.47 3h3eA1 VAL 220 HG23 -0.32 0.01 -0.28 -0.04 0.95 0.31 3h3eA1 VAL 221 H -0.03 0.78 0.24 -0.55 8.24 8.68 3h3eA1 VAL 221 HA -0.12 0.18 0.85 -0.75 4.13 4.29 3h3eA1 VAL 221 HB -0.06 -0.09 0.20 -0.04 2.12 2.13 3h3eA1 VAL 221 HG13 -0.09 -0.01 -0.16 -0.04 0.97 0.67 3h3eA1 VAL 221 HG23 -0.03 0.04 -0.29 -0.04 0.95 0.63 3h3eA1 PRO 222 HA -0.85 0.26 0.67 -0.51 4.44 4.01 3h3eA1 PRO 222 HB2 -0.44 -0.09 0.00 -0.04 2.28 1.71 3h3eA1 PRO 222 HB3 -0.86 -0.01 0.01 -0.04 2.02 1.12 3h3eA1 PRO 222 HG2 -0.37 0.01 0.02 -0.04 2.03 1.65 3h3eA1 PRO 222 HG3 -0.60 0.08 -0.10 -0.04 2.03 1.37 3h3eA1 PRO 222 HD2 -0.20 0.05 0.17 -0.04 3.68 3.66 3h3eA1 PRO 222 HD3 -0.22 0.40 -0.11 -0.04 3.65 3.68 3h3eA1 CYS 223 H -0.57 0.57 0.09 -0.55 8.50 8.04 3h3eA1 CYS 223 HA -0.16 0.23 0.88 -0.75 4.58 4.78 3h3eA1 CYS 223 HB2 -0.58 -0.07 -0.12 -0.04 2.97 2.16 3h3eA1 CYS 223 HB3 -0.04 -0.07 0.11 -0.04 2.97 2.92 3h3eA1 HIS 224 H 0.02 0.12 0.16 -0.55 8.41 8.17 3h3eA1 HIS 224 HA -0.02 0.01 0.40 -0.75 4.63 4.27 3h3eA1 HIS 224 HB2 -0.21 0.09 -0.07 -0.04 3.26 3.04 3h3eA1 HIS 224 HB3 -0.28 0.06 -0.17 -0.04 3.20 2.77 3h3eA1 HIS 224 HD2 0.17 0.20 0.01 -0.04 6.97 7.30 3h3eA1 HIS 224 HE1 -0.77 0.02 -0.23 -0.04 7.75 6.73 3h3eA1 CYS 225 H -0.35 0.17 0.20 -0.55 8.50 7.98 3h3eA1 CYS 225 HA -0.18 0.11 0.32 -0.75 4.58 4.08 3h3eA1 CYS 225 HB2 -0.01 -0.11 0.11 -0.04 2.97 2.92 3h3eA1 CYS 225 HB3 0.01 0.06 0.13 -0.04 2.97 3.12 3h3eA1 THR 226 H -0.20 0.52 -0.29 -0.55 8.28 7.77 3h3eA1 THR 226 HA -0.10 -0.25 0.16 -0.75 4.39 3.45 3h3eA1 THR 226 HB -0.26 0.07 -0.08 -0.04 4.32 4.01 3h3eA1 THR 226 HG23 -0.21 0.04 -0.16 -0.04 1.22 0.85 3h3eA1 GLY 227 H -0.10 0.15 -0.12 -0.55 8.43 7.81 3h3eA1 GLY 227 HA2 -0.05 0.04 0.36 -0.51 4.01 3.85 3h3eA1 GLY 227 HA3 -0.05 0.19 0.82 -0.51 4.01 4.46 3h3eA1 GLU 228 H -0.03 0.20 0.15 -0.55 8.60 8.37 3h3eA1 GLU 228 HA -0.02 0.12 0.35 -0.75 4.29 3.98 3h3eA1 GLU 228 HB2 -0.01 0.04 0.13 -0.04 2.09 2.20 3h3eA1 GLU 228 HB3 -0.01 -0.01 0.13 -0.04 1.99 2.06 3h3eA1 GLU 228 HG2 -0.00 0.01 -0.18 -0.04 2.34 2.13 3h3eA1 GLU 228 HG3 -0.01 0.04 0.04 -0.04 2.34 2.37 3h3eA1 ARG 229 H -0.01 0.09 -0.11 -0.55 8.46 7.87 3h3eA1 ARG 229 HA 0.01 0.12 0.40 -0.75 4.34 4.11 3h3eA1 ARG 229 HB2 -0.00 0.01 0.11 -0.04 1.90 1.98 3h3eA1 ARG 229 HB3 0.00 0.02 0.07 -0.04 1.80 1.85 3h3eA1 ARG 229 HG2 0.01 0.03 -0.00 -0.04 1.67 1.66 3h3eA1 ARG 229 HG3 0.01 0.01 -0.19 -0.04 1.67 1.46 3h3eA1 ARG 229 HD2 0.01 -0.02 0.11 -0.04 3.22 3.28 3h3eA1 ARG 229 HD3 0.01 0.01 0.03 -0.04 3.22 3.22 3h3eA1 ALA 230 H 0.01 0.10 -0.28 -0.55 8.40 7.69 3h3eA1 ALA 230 HA 0.08 0.04 0.28 -0.75 4.34 3.99 3h3eA1 ALA 230 HB3 0.09 0.05 -0.04 -0.04 1.41 1.47 3h3eA1 VAL 231 H 0.00 0.47 -0.24 -0.55 8.24 7.93 3h3eA1 VAL 231 HA 0.01 0.04 0.37 -0.75 4.13 3.79 3h3eA1 VAL 231 HB -0.02 0.05 0.07 -0.04 2.12 2.18 3h3eA1 VAL 231 HG13 -0.05 0.01 -0.10 -0.04 0.97 0.80 3h3eA1 VAL 231 HG23 -0.13 0.07 -0.07 -0.04 0.95 0.77 3h3eA1 ASP 232 H 0.03 0.51 -0.17 -0.55 8.40 8.22 3h3eA1 ASP 232 HA 0.04 0.04 0.41 -0.75 4.63 4.36 3h3eA1 ASP 232 HB2 0.02 0.11 0.19 -0.04 2.71 3.00 3h3eA1 ASP 232 HB3 0.02 -0.03 -0.01 -0.04 2.70 2.65 3h3eA1 ILE 233 H 0.06 0.41 -0.23 -0.55 8.25 7.94 3h3eA1 ILE 233 HA 0.02 0.04 0.44 -0.75 4.18 3.93 3h3eA1 ILE 233 HB 0.04 0.11 0.11 -0.04 1.89 2.11 3h3eA1 ILE 233 HG12 0.00 -0.01 -0.01 -0.04 1.49 1.43 3h3eA1 ILE 233 HG13 0.02 0.12 0.02 -0.04 1.21 1.33 3h3eA1 ILE 233 HG23 -0.08 -0.01 -0.21 -0.04 0.93 0.59 3h3eA1 ILE 233 HD13 0.01 -0.03 -0.05 -0.04 0.88 0.77 3h3eA1 PHE 234 H 0.25 0.53 -0.05 -0.55 8.34 8.52 3h3eA1 PHE 234 HA -0.03 -0.04 0.47 -0.75 4.62 4.27 3h3eA1 PHE 234 HB2 -0.09 0.06 0.21 -0.04 3.15 3.29 3h3eA1 PHE 234 HB3 -0.12 0.05 -0.06 -0.04 3.06 2.89 3h3eA1 PHE 234 HD2 -0.40 0.14 -0.08 -0.04 7.28 6.90 3h3eA1 PHE 234 HE2 -1.01 -0.02 -0.10 -0.04 7.38 6.21 3h3eA1 PHE 234 HZ -0.93 -0.05 -0.15 -0.04 7.32 6.15 3h3eA1 LYS 235 H 0.14 0.63 -0.09 -0.55 8.42 8.54 3h3eA1 LYS 235 HA 0.14 0.06 0.35 -0.75 4.32 4.11 3h3eA1 LYS 235 HB2 0.06 0.05 0.14 -0.04 1.87 2.07 3h3eA1 LYS 235 HB3 0.06 -0.03 0.07 -0.04 1.79 1.85 3h3eA1 LYS 235 HG2 0.07 -0.02 0.03 -0.04 1.46 1.49 3h3eA1 LYS 235 HG3 0.05 0.06 -0.03 -0.04 1.46 1.50 3h3eA1 LYS 235 HD2 0.03 -0.05 -0.01 -0.04 1.69 1.62 3h3eA1 LYS 235 HD3 0.04 0.04 0.02 -0.04 1.68 1.74 3h3eA1 LYS 235 HE2 0.02 0.05 -0.04 -0.04 2.99 2.98 3h3eA1 LYS 235 HE3 0.01 -0.01 -0.07 -0.04 2.99 2.89 3h3eA1 ARG 236 H 0.06 0.27 -0.41 -0.55 8.46 7.83 3h3eA1 ARG 236 HA 0.03 0.17 0.72 -0.75 4.34 4.51 3h3eA1 ARG 236 HB2 0.01 -0.07 0.11 -0.04 1.90 1.91 3h3eA1 ARG 236 HB3 0.02 0.02 0.06 -0.04 1.80 1.86 3h3eA1 ARG 236 HG2 0.01 -0.01 0.05 -0.04 1.67 1.68 3h3eA1 ARG 236 HG3 0.00 0.07 -0.40 -0.04 1.67 1.29 3h3eA1 ARG 236 HD2 0.00 -0.01 -0.02 -0.04 3.22 3.15 3h3eA1 ARG 236 HD3 0.01 -0.05 -0.03 -0.04 3.22 3.11 3h3eA1 GLU 237 H 0.04 0.24 -0.09 -0.55 8.60 8.25 3h3eA1 GLU 237 HA 0.00 0.18 0.94 -0.75 4.29 4.66 3h3eA1 GLU 237 HB2 -0.06 0.08 0.01 -0.04 2.09 2.08 3h3eA1 GLU 237 HB3 -0.03 -0.09 0.00 -0.04 1.99 1.83 3h3eA1 GLU 237 HG2 -0.01 0.06 -0.07 -0.04 2.34 2.28 3h3eA1 GLU 237 HG3 -0.01 -0.04 -0.34 -0.04 2.34 1.92 3h3eA1 PHE 238 H 0.15 0.51 0.19 -0.55 8.34 8.64 3h3eA1 PHE 238 HA -0.05 -0.02 0.58 -0.75 4.62 4.38 3h3eA1 PHE 238 HB2 -0.09 -0.16 0.12 -0.04 3.15 2.99 3h3eA1 PHE 238 HB3 0.06 0.23 0.08 -0.04 3.06 3.39 3h3eA1 PHE 238 HD2 0.06 0.04 -0.26 -0.04 7.28 7.08 3h3eA1 PHE 238 HE2 0.16 0.10 -0.32 -0.04 7.38 7.28 3h3eA1 PHE 238 HZ 0.16 0.06 -0.72 -0.04 7.32 6.77 3h3eA1 LEU 239 H -0.39 0.09 0.16 -0.55 8.37 7.67 3h3eA1 LEU 239 HA -0.17 0.10 0.37 -0.75 4.35 3.90 3h3eA1 LEU 239 HB2 -0.27 0.02 0.09 -0.04 1.64 1.44 3h3eA1 LEU 239 HB3 -0.16 -0.02 0.10 -0.04 1.64 1.52 3h3eA1 LEU 239 HG -0.09 0.03 0.08 -0.04 1.64 1.62 3h3eA1 LEU 239 HD13 -0.06 -0.01 0.02 -0.04 0.93 0.84 3h3eA1 LEU 239 HD23 -0.06 0.00 -0.05 -0.04 0.89 0.74 3h3eA1 GLY 240 H -1.86 -0.08 -0.40 -0.55 8.43 5.55 3h3eA1 GLY 240 HA2 -0.22 0.12 0.80 -0.51 4.01 4.20 3h3eA1 GLY 240 HA3 -0.45 0.25 0.38 -0.51 4.01 3.67 3h3eA1 LYS 241 H 0.15 0.55 0.35 -0.55 8.42 8.92 3h3eA1 LYS 241 HA 0.12 0.14 0.77 -0.75 4.32 4.58 3h3eA1 LYS 241 HB2 0.06 -0.01 0.08 -0.04 1.87 1.96 3h3eA1 LYS 241 HB3 0.10 0.01 0.19 -0.04 1.79 2.05 3h3eA1 LYS 241 HG2 0.07 -0.06 -0.24 -0.04 1.46 1.19 3h3eA1 LYS 241 HG3 0.06 0.05 0.04 -0.04 1.46 1.57 3h3eA1 LYS 241 HD2 0.04 -0.01 -0.00 -0.04 1.69 1.67 3h3eA1 LYS 241 HD3 0.04 -0.03 -0.05 -0.04 1.68 1.60 3h3eA1 LYS 241 HE2 0.03 -0.04 -0.02 -0.04 2.99 2.91 3h3eA1 LYS 241 HE3 0.03 0.03 -0.05 -0.04 2.99 2.96 3h3eA1 ILE 242 H 0.14 0.23 0.13 -0.55 8.25 8.19 3h3eA1 ILE 242 HA 0.05 0.37 0.91 -0.75 4.18 4.76 3h3eA1 ILE 242 HB 0.08 -0.01 0.09 -0.04 1.89 2.02 3h3eA1 ILE 242 HG12 0.11 -0.13 -0.17 -0.04 1.49 1.25 3h3eA1 ILE 242 HG13 0.04 0.04 -0.15 -0.04 1.21 1.10 3h3eA1 ILE 242 HG23 -0.06 0.00 0.02 -0.04 0.93 0.85 3h3eA1 ILE 242 HD13 0.42 0.00 -0.27 -0.04 0.88 0.99 3h3eA1 ASP 244 HA -0.00 -0.10 0.24 -0.75 4.63 4.01 3h3eA1 ASP 244 HB2 0.12 -0.01 0.06 -0.04 2.71 2.84 3h3eA1 ASP 244 HB3 0.11 -0.03 -0.08 -0.04 2.70 2.65 3h3eA1 CYS 245 H -0.02 0.12 0.11 -0.55 8.50 8.16 3h3eA1 CYS 245 HA -0.15 0.20 0.79 -0.75 4.58 4.67 3h3eA1 CYS 245 HB2 -0.11 0.09 -0.25 -0.04 2.97 2.66 3h3eA1 CYS 245 HB3 -0.06 -0.11 0.04 -0.04 2.97 2.81 3h3eA1 TYR 246 H -0.41 0.39 0.17 -0.55 8.29 7.88 3h3eA1 TYR 246 HA -0.00 0.00 0.21 -0.75 4.56 4.01 3h3eA1 TYR 246 HB2 -0.02 -0.19 -0.25 -0.04 3.06 2.57 3h3eA1 TYR 246 HB3 -0.01 0.17 -0.22 -0.04 2.98 2.88 3h3eA1 TYR 246 HD2 -0.07 -0.19 -0.40 -0.04 7.15 6.45 3h3eA1 TYR 246 HE2 -0.07 0.11 -0.14 -0.04 6.85 6.72 3h3eA1 ALA 247 H 0.13 0.58 0.08 -0.55 8.40 8.64 3h3eA1 ALA 247 HA -0.06 0.01 0.08 -0.75 4.34 3.62 3h3eA1 ALA 247 HB3 0.08 -0.01 0.03 -0.04 1.41 1.47 3h3eA1 GLY 248 H 0.15 -0.25 -0.14 -0.55 8.43 7.65 3h3eA1 GLY 248 HA2 -1.70 0.17 0.52 -0.51 4.01 2.48 3h3eA1 GLY 248 HA3 -0.43 -0.09 0.27 -0.51 4.01 3.25 3h3eA1 LEU 249 H -0.64 0.34 -0.34 -0.55 8.37 7.18 3h3eA1 LEU 249 HA -0.42 -0.05 0.10 -0.75 4.35 3.22 3h3eA1 LEU 249 HB2 -1.47 -0.11 0.14 -0.04 1.64 0.15 3h3eA1 LEU 249 HB3 -0.49 -0.03 0.17 -0.04 1.64 1.25 3h3eA1 LEU 249 HG -0.27 0.00 -0.37 -0.04 1.64 0.96 3h3eA1 LEU 249 HD13 -0.25 -0.00 -0.00 -0.04 0.93 0.63 3h3eA1 LEU 249 HD23 -0.24 0.02 -0.01 -0.04 0.89 0.62 3h3eA1 LYS 250 H -0.16 0.13 0.17 -0.55 8.42 8.00 3h3eA1 LYS 250 HA -0.37 0.36 1.15 -0.75 4.32 4.70 3h3eA1 LYS 250 HB2 -0.18 0.09 0.06 -0.04 1.87 1.80 3h3eA1 LYS 250 HB3 -0.10 -0.09 0.15 -0.04 1.79 1.71 3h3eA1 LYS 250 HG2 -0.21 -0.04 -0.32 -0.04 1.46 0.84 3h3eA1 LYS 250 HG3 -0.66 0.07 0.00 -0.04 1.46 0.83 3h3eA1 LYS 250 HD2 0.06 0.03 -0.03 -0.04 1.69 1.71 3h3eA1 LYS 250 HD3 -0.03 -0.06 -0.04 -0.04 1.68 1.51 3h3eA1 LYS 250 HE2 -0.05 -0.05 -0.14 -0.04 2.99 2.72 3h3eA1 LYS 250 HE3 -0.00 0.04 -0.08 -0.04 2.99 2.91 3h3eA1 LEU 251 H -0.24 0.66 0.32 -0.55 8.37 8.57 3h3eA1 LEU 251 HA -0.08 0.17 0.98 -0.75 4.35 4.66 3h3eA1 LEU 251 HB2 -0.09 -0.04 0.03 -0.04 1.64 1.50 3h3eA1 LEU 251 HB3 -0.05 0.04 -0.07 -0.04 1.64 1.52 3h3eA1 LEU 251 HG -0.13 -0.07 -0.36 -0.04 1.64 1.05 3h3eA1 LEU 251 HD13 -0.07 -0.01 -0.15 -0.04 0.93 0.66 3h3eA1 LEU 251 HD23 -0.06 0.03 -0.10 -0.04 0.89 0.72 3h3eA1 GLU 252 H -0.02 0.22 0.16 -0.55 8.60 8.41 3h3eA1 GLU 252 HA 0.02 0.19 0.96 -0.75 4.29 4.71 3h3eA1 GLU 252 HB2 -0.02 -0.00 -0.06 -0.04 2.09 1.97 3h3eA1 GLU 252 HB3 0.04 -0.02 0.03 -0.04 1.99 2.00 3h3eA1 GLU 252 HG2 0.12 -0.03 -0.08 -0.04 2.34 2.31 3h3eA1 GLU 252 HG3 0.14 0.04 0.08 -0.04 2.34 2.57 3h3eA1 VAL 253 H 0.08 0.33 0.19 -0.55 8.24 8.29 3h3eA1 VAL 253 HA 0.02 0.12 0.82 -0.75 4.13 4.33 3h3eA1 VAL 253 HB -0.03 0.04 -0.11 -0.04 2.12 1.98 3h3eA1 VAL 253 HG13 -0.04 0.05 -0.07 -0.04 0.97 0.87 3h3eA1 VAL 253 HG23 -0.01 -0.01 -0.44 -0.04 0.95 0.45 3h3eA1 SER 254 H -0.10 0.11 0.12 -0.55 8.46 8.05 3h3eA1 SER 254 HA -0.53 0.09 0.39 -0.75 4.49 3.69 3h3eA1 SER 254 HB2 -0.09 -0.04 0.09 -0.04 3.95 3.86 3h3eA1 SER 254 HB3 -0.13 0.01 0.05 -0.04 3.93 3.82 3h3eA1 ASP 255 H -0.18 0.16 0.12 -0.55 8.40 7.96 3h3eA1 ASP 255 HA -0.07 0.20 0.12 -0.75 4.63 4.13 3h3eA1 ASP 255 HB2 -0.05 -0.05 0.13 -0.04 2.71 2.70 3h3eA1 ASP 255 HB3 -0.04 0.05 0.11 -0.04 2.70 2.79