============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 3 0.840 31.988 -13.844 61.977 -99.200 -91.000 PHE 10 1.000 19.344 -18.980 59.483 -99.200 -91.000 PHE 11 1.000 24.423 -22.387 62.762 -99.200 -91.000 PHE 17 1.000 19.808 -33.283 66.889 -99.200 -91.000 PHE 22 1.000 21.471 -39.307 59.868 -99.200 -91.000 PHE 30 1.000 21.143 -23.711 69.856 -99.200 -91.000 TYR 35 0.840 26.507 -16.788 77.029 -99.200 -91.000 TYR 39 0.840 33.888 -28.735 67.927 -99.200 -91.000 PHE 40 1.000 32.854 -23.428 61.495 -99.200 -91.000 TYR 41 0.840 35.397 -31.782 62.957 -99.200 -91.000 PHE 45 1.000 35.448 -42.268 59.459 -99.200 -91.000 PHE 47 1.000 43.812 -43.104 62.131 -99.200 -91.000 PHE 63 1.000 32.180 -26.776 76.742 -99.200 -91.000 HIS 64 0.900 24.482 -29.738 78.571 -99.200 -91.000 TYR 79 0.840 23.305 -40.704 55.173 -99.200 -91.000 HIS 81 0.900 29.915 -34.746 60.762 -99.200 -91.000 TRP 84 1.040 35.725 -39.909 62.942 -99.200 -91.000 TRP6 84 1.020 36.150 -37.661 63.503 -99.200 -91.000 HIS 99 0.900 30.490 -32.490 70.989 -99.200 -91.000 TYR 113 0.840 29.473 -18.557 61.678 -99.200 -91.000 PHE 117 1.000 44.139 -23.184 53.294 -99.200 -91.000 PHE 126 1.000 37.837 -24.441 69.485 -99.200 -91.000 HIS 137 0.900 37.424 -16.369 72.000 -99.200 -91.000 HIS 161 0.900 33.313 -11.228 86.764 -99.200 -91.000 HIS 162 0.900 33.526 -6.853 79.904 -99.200 -91.000 TYR 165 0.840 29.380 -9.356 88.673 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2h66A1 PRO 2 HA -0.02 -0.14 0.23 -0.51 4.44 4.00 2h66A1 PRO 2 HB2 -0.00 0.08 -0.04 -0.04 2.28 2.28 2h66A1 PRO 2 HB3 -0.01 -0.03 0.04 -0.04 2.02 1.97 2h66A1 PRO 2 HG2 0.00 -0.00 0.02 -0.04 2.03 2.01 2h66A1 PRO 2 HG3 -0.00 -0.03 0.03 -0.04 2.03 1.99 2h66A1 PRO 2 HD2 0.00 -0.00 0.04 -0.04 3.68 3.69 2h66A1 PRO 2 HD3 -0.00 -0.03 0.02 -0.04 3.65 3.60 2h66A1 THR 3 H -0.06 0.04 0.08 -0.55 8.28 7.79 2h66A1 THR 3 HA -0.19 0.12 0.41 -0.75 4.39 3.97 2h66A1 THR 3 HB -0.15 0.02 0.13 -0.04 4.32 4.28 2h66A1 THR 3 HG23 -0.10 0.01 -0.05 -0.04 1.22 1.03 2h66A1 TYR 4 H -0.80 0.12 0.13 -0.55 8.29 7.19 2h66A1 TYR 4 HA -0.02 0.22 0.72 -0.75 4.56 4.72 2h66A1 TYR 4 HB2 -0.05 0.09 0.07 -0.04 3.06 3.12 2h66A1 TYR 4 HB3 -0.07 0.07 0.06 -0.04 2.98 3.00 2h66A1 TYR 4 HD2 -0.06 0.01 -0.17 -0.04 7.15 6.89 2h66A1 TYR 4 HE2 -0.00 -0.00 -0.12 -0.04 6.85 6.69 2h66A1 VAL 5 H -0.25 -0.01 -0.17 -0.55 8.24 7.26 2h66A1 VAL 5 HA 0.09 0.07 0.48 -0.75 4.13 4.02 2h66A1 VAL 5 HB -0.08 -0.02 0.04 -0.04 2.12 2.01 2h66A1 VAL 5 HG13 0.02 0.01 -0.24 -0.04 0.97 0.72 2h66A1 VAL 5 HG23 -0.16 -0.02 -0.07 -0.04 0.95 0.67 2h66A1 GLY 6 H 0.08 0.71 0.31 -0.55 8.43 8.99 2h66A1 GLY 6 HA2 0.05 0.00 0.32 -0.51 4.01 3.88 2h66A1 GLY 6 HA3 0.03 0.06 0.58 -0.51 4.01 4.18 2h66A1 LYS 7 H 0.09 0.42 -0.36 -0.55 8.42 8.01 2h66A1 LYS 7 HA 0.05 0.14 0.75 -0.75 4.32 4.50 2h66A1 LYS 7 HB2 0.08 0.05 -0.08 -0.04 1.87 1.89 2h66A1 LYS 7 HB3 0.05 -0.12 0.15 -0.04 1.79 1.83 2h66A1 LYS 7 HG2 0.03 0.00 -0.03 -0.04 1.46 1.42 2h66A1 LYS 7 HG3 0.03 0.05 -0.34 -0.04 1.46 1.15 2h66A1 LYS 7 HD2 0.03 -0.06 -0.00 -0.04 1.69 1.62 2h66A1 LYS 7 HD3 0.02 -0.04 -0.05 -0.04 1.68 1.57 2h66A1 LYS 7 HE2 0.02 0.08 -0.03 -0.04 2.99 3.01 2h66A1 LYS 7 HE3 0.06 -0.04 0.03 -0.04 2.99 3.00 2h66A1 GLU 8 H 0.05 0.08 0.13 -0.55 8.60 8.30 2h66A1 GLU 8 HA 0.05 0.23 0.66 -0.75 4.29 4.48 2h66A1 GLU 8 HB2 0.03 -0.06 0.12 -0.04 2.09 2.13 2h66A1 GLU 8 HB3 0.04 0.08 0.05 -0.04 1.99 2.11 2h66A1 GLU 8 HG2 0.03 -0.00 -0.01 -0.04 2.34 2.32 2h66A1 GLU 8 HG3 0.03 -0.04 0.06 -0.04 2.34 2.34 2h66A1 ALA 9 H 0.06 0.54 0.33 -0.55 8.40 8.79 2h66A1 ALA 9 HA -0.09 0.09 0.47 -0.75 4.34 4.06 2h66A1 ALA 9 HB3 0.14 -0.04 -0.00 -0.04 1.41 1.48 2h66A1 PRO 10 HA -0.03 0.01 0.36 -0.51 4.44 4.27 2h66A1 PRO 10 HB2 -0.29 -0.03 -0.12 -0.04 2.28 1.80 2h66A1 PRO 10 HB3 -0.16 0.02 0.08 -0.04 2.02 1.91 2h66A1 PRO 10 HG2 -1.27 0.13 -0.04 -0.04 2.03 0.81 2h66A1 PRO 10 HG3 -0.48 0.08 0.10 -0.04 2.03 1.68 2h66A1 PRO 10 HD2 -1.31 0.00 0.11 -0.04 3.68 2.45 2h66A1 PRO 10 HD3 -0.79 0.15 0.22 -0.04 3.65 3.19 2h66A1 PHE 11 H 0.20 0.08 0.16 -0.55 8.34 8.23 2h66A1 PHE 11 HA -0.02 0.02 0.49 -0.75 4.62 4.35 2h66A1 PHE 11 HB2 -0.02 0.06 0.12 -0.04 3.15 3.26 2h66A1 PHE 11 HB3 0.01 -0.01 0.11 -0.04 3.06 3.12 2h66A1 PHE 11 HD2 -0.04 0.00 -0.09 -0.04 7.28 7.11 2h66A1 PHE 11 HE2 -0.05 -0.07 -0.08 -0.04 7.38 7.14 2h66A1 PHE 11 HZ -0.05 -0.03 -0.07 -0.04 7.32 7.14 2h66A1 PHE 12 H -1.04 0.11 0.26 -0.55 8.34 7.11 2h66A1 PHE 12 HA -0.30 0.17 0.41 -0.75 4.62 4.14 2h66A1 PHE 12 HB2 -0.13 -0.10 0.02 -0.04 3.15 2.90 2h66A1 PHE 12 HB3 -0.01 0.16 -0.10 -0.04 3.06 3.06 2h66A1 PHE 12 HD2 -0.04 0.12 -0.25 -0.04 7.28 7.07 2h66A1 PHE 12 HE2 -0.04 0.05 -0.19 -0.04 7.38 7.16 2h66A1 PHE 12 HZ -0.03 0.06 -0.17 -0.04 7.32 7.13 2h66A1 LYS 13 H 0.02 0.26 0.03 -0.55 8.42 8.18 2h66A1 LYS 13 HA -0.14 0.17 0.86 -0.75 4.32 4.45 2h66A1 LYS 13 HB2 -0.12 0.05 -0.13 -0.04 1.87 1.63 2h66A1 LYS 13 HB3 0.04 -0.02 0.05 -0.04 1.79 1.82 2h66A1 LYS 13 HG2 0.04 0.00 -0.20 -0.04 1.46 1.26 2h66A1 LYS 13 HG3 0.06 0.00 -0.05 -0.04 1.46 1.43 2h66A1 LYS 13 HD2 0.21 0.01 -0.05 -0.04 1.69 1.82 2h66A1 LYS 13 HD3 0.11 -0.02 -0.04 -0.04 1.68 1.68 2h66A1 LYS 13 HE2 0.07 0.01 -0.05 -0.04 2.99 2.97 2h66A1 LYS 13 HE3 0.06 -0.01 -0.08 -0.04 2.99 2.91 2h66A1 ALA 14 H 0.09 0.77 0.40 -0.55 8.40 9.11 2h66A1 ALA 14 HA 0.02 0.16 1.17 -0.75 4.34 4.93 2h66A1 ALA 14 HB3 -0.00 0.03 0.01 -0.04 1.41 1.41 2h66A1 GLU 15 H -0.03 0.11 0.31 -0.55 8.60 8.44 2h66A1 GLU 15 HA -0.01 0.31 1.03 -0.75 4.29 4.86 2h66A1 GLU 15 HB2 -0.10 -0.10 0.19 -0.04 2.09 2.04 2h66A1 GLU 15 HB3 -0.12 0.05 0.21 -0.04 1.99 2.09 2h66A1 GLU 15 HG2 -0.04 0.07 0.09 -0.04 2.34 2.42 2h66A1 GLU 15 HG3 -0.03 -0.05 0.16 -0.04 2.34 2.38 2h66A1 ALA 16 H -0.04 0.48 0.40 -0.55 8.40 8.69 2h66A1 ALA 16 HA -0.07 0.26 1.06 -0.75 4.34 4.83 2h66A1 ALA 16 HB3 -0.32 -0.01 -0.35 -0.04 1.41 0.69 2h66A1 VAL 17 H -0.07 0.61 0.29 -0.55 8.24 8.52 2h66A1 VAL 17 HA 0.09 0.28 0.99 -0.75 4.13 4.74 2h66A1 VAL 17 HB 0.05 -0.06 0.13 -0.04 2.12 2.21 2h66A1 VAL 17 HG13 0.01 0.06 -0.21 -0.04 0.97 0.79 2h66A1 VAL 17 HG23 0.31 -0.03 -0.10 -0.04 0.95 1.08 2h66A1 PHE 18 H 0.13 0.56 0.11 -0.55 8.34 8.58 2h66A1 PHE 18 HA 0.03 0.08 0.40 -0.75 4.62 4.37 2h66A1 PHE 18 HB2 0.00 -0.01 -0.01 -0.04 3.15 3.09 2h66A1 PHE 18 HB3 0.02 -0.07 0.07 -0.04 3.06 3.03 2h66A1 PHE 18 HD2 0.05 0.06 -0.19 -0.04 7.28 7.16 2h66A1 PHE 18 HE2 0.07 -0.05 -0.15 -0.04 7.38 7.20 2h66A1 PHE 18 HZ 0.05 0.15 -0.15 -0.04 7.32 7.33 2h66A1 GLY 19 H 0.22 0.14 0.08 -0.55 8.43 8.33 2h66A1 GLY 19 HA2 0.01 0.31 0.33 -0.51 4.01 4.15 2h66A1 GLY 19 HA3 0.07 0.09 0.41 -0.51 4.01 4.07 2h66A1 ASP 20 H 0.08 0.00 -0.19 -0.55 8.40 7.75 2h66A1 ASP 20 HA 0.00 0.15 0.42 -0.75 4.63 4.45 2h66A1 ASP 20 HB2 -0.01 0.04 0.11 -0.04 2.71 2.81 2h66A1 ASP 20 HB3 0.01 0.00 0.06 -0.04 2.70 2.72 2h66A1 ASN 21 H 0.03 0.43 -0.73 -0.55 8.53 7.71 2h66A1 ASN 21 HA -0.05 0.11 0.19 -0.75 4.76 4.26 2h66A1 ASN 21 HB2 -0.04 0.18 -0.29 -0.04 2.88 2.69 2h66A1 ASN 21 HB3 -0.08 -0.09 0.16 -0.04 2.79 2.74 2h66A1 ASN 21 HD21 -0.02 -0.00 -0.13 -0.04 7.03 6.83 2h66A1 ASN 21 HD22 -0.03 -0.04 -0.07 -0.04 7.74 7.56 2h66A1 SER 22 H 0.03 -0.05 -0.24 -0.55 8.46 7.65 2h66A1 SER 22 HA -0.28 0.21 0.82 -0.75 4.49 4.49 2h66A1 SER 22 HB2 -0.02 -0.01 0.11 -0.04 3.95 4.00 2h66A1 SER 22 HB3 -0.04 0.07 -0.08 -0.04 3.93 3.84 2h66A1 PHE 23 H 0.02 0.14 0.19 -0.55 8.34 8.14 2h66A1 PHE 23 HA 0.05 0.34 0.93 -0.75 4.62 5.19 2h66A1 PHE 23 HB2 0.00 -0.01 0.13 -0.04 3.15 3.23 2h66A1 PHE 23 HB3 -0.02 -0.02 0.11 -0.04 3.06 3.09 2h66A1 PHE 23 HD2 -0.07 0.11 -0.00 -0.04 7.28 7.27 2h66A1 PHE 23 HE2 -0.19 0.04 -0.11 -0.04 7.38 7.08 2h66A1 PHE 23 HZ -0.41 -0.02 -0.13 -0.04 7.32 6.72 2h66A1 GLY 24 H 0.22 0.36 0.39 -0.55 8.43 8.86 2h66A1 GLY 24 HA2 0.22 0.08 0.50 -0.51 4.01 4.29 2h66A1 GLY 24 HA3 0.58 0.09 0.33 -0.51 4.01 4.50 2h66A1 GLU 25 H 0.21 0.25 0.22 -0.55 8.60 8.73 2h66A1 GLU 25 HA 0.06 0.25 1.11 -0.75 4.29 4.95 2h66A1 GLU 25 HB2 0.08 -0.03 0.06 -0.04 2.09 2.16 2h66A1 GLU 25 HB3 0.06 0.01 -0.12 -0.04 1.99 1.90 2h66A1 GLU 25 HG2 0.03 0.00 -0.23 -0.04 2.34 2.11 2h66A1 GLU 25 HG3 0.04 -0.04 -0.15 -0.04 2.34 2.16 2h66A1 VAL 26 H 0.06 0.76 0.36 -0.55 8.24 8.88 2h66A1 VAL 26 HA 0.12 0.18 0.71 -0.75 4.13 4.38 2h66A1 VAL 26 HB 0.13 -0.04 -0.03 -0.04 2.12 2.14 2h66A1 VAL 26 HG13 0.31 -0.00 -0.20 -0.04 0.97 1.04 2h66A1 VAL 26 HG23 0.12 0.00 -0.24 -0.04 0.95 0.79 2h66A1 ASN 27 H -0.04 0.28 0.12 -0.55 8.53 8.34 2h66A1 ASN 27 HA -0.37 0.14 0.61 -0.75 4.76 4.39 2h66A1 ASN 27 HB2 -0.28 0.15 0.26 -0.04 2.88 2.97 2h66A1 ASN 27 HB3 -0.07 -0.00 0.05 -0.04 2.79 2.72 2h66A1 ASN 27 HD21 -0.00 0.07 -0.04 -0.04 7.03 7.02 2h66A1 ASN 27 HD22 0.01 -0.02 -0.17 -0.04 7.74 7.53 2h66A1 LEU 28 H -1.31 0.39 0.19 -0.55 8.37 7.09 2h66A1 LEU 28 HA -0.13 0.06 0.23 -0.75 4.35 3.76 2h66A1 LEU 28 HB2 -1.42 -0.04 0.17 -0.04 1.64 0.31 2h66A1 LEU 28 HB3 -0.37 -0.03 0.16 -0.04 1.64 1.37 2h66A1 LEU 28 HG 0.09 0.12 -0.07 -0.04 1.64 1.74 2h66A1 LEU 28 HD13 0.09 0.01 -0.15 -0.04 0.93 0.84 2h66A1 LEU 28 HD23 0.17 -0.02 -0.02 -0.04 0.89 0.98 2h66A1 THR 29 H 0.00 0.06 -0.27 -0.55 8.28 7.52 2h66A1 THR 29 HA 0.04 0.07 0.36 -0.75 4.39 4.11 2h66A1 THR 29 HB 0.18 -0.07 0.05 -0.04 4.32 4.43 2h66A1 THR 29 HG23 0.00 0.02 -0.15 -0.04 1.22 1.04 2h66A1 GLN 30 H -0.16 0.44 -0.17 -0.55 8.47 8.04 2h66A1 GLN 30 HA -0.18 0.03 0.40 -0.75 4.36 3.85 2h66A1 GLN 30 HB2 -0.85 0.06 0.05 -0.04 2.15 1.37 2h66A1 GLN 30 HB3 -0.70 0.01 -0.00 -0.04 2.02 1.28 2h66A1 GLN 30 HG2 -0.17 0.02 0.06 -0.04 2.40 2.27 2h66A1 GLN 30 HG3 -0.16 -0.05 0.12 -0.04 2.39 2.26 2h66A1 GLN 30 HE21 0.04 0.16 0.08 -0.04 6.97 7.21 2h66A1 GLN 30 HE22 -0.03 0.00 0.00 -0.04 7.69 7.62 2h66A1 PHE 31 H -0.00 0.42 -0.32 -0.55 8.34 7.88 2h66A1 PHE 31 HA 0.03 0.17 0.54 -0.75 4.62 4.61 2h66A1 PHE 31 HB2 0.03 0.06 0.01 -0.04 3.15 3.21 2h66A1 PHE 31 HB3 0.04 0.12 0.04 -0.04 3.06 3.22 2h66A1 PHE 31 HD2 0.04 0.06 -0.08 -0.04 7.28 7.26 2h66A1 PHE 31 HE2 0.08 -0.05 -0.15 -0.04 7.38 7.22 2h66A1 PHE 31 HZ 0.10 -0.05 -0.11 -0.04 7.32 7.22 2h66A1 ILE 32 H 0.07 0.18 -0.06 -0.55 8.25 7.89 2h66A1 ILE 32 HA 0.06 0.04 0.32 -0.75 4.18 3.84 2h66A1 ILE 32 HB 0.02 0.02 -0.01 -0.04 1.89 1.88 2h66A1 ILE 32 HG12 0.01 0.08 0.07 -0.04 1.49 1.61 2h66A1 ILE 32 HG13 0.01 -0.01 -0.10 -0.04 1.21 1.06 2h66A1 ILE 32 HG23 0.05 -0.02 -0.08 -0.04 0.93 0.85 2h66A1 ILE 32 HD13 0.02 -0.05 0.05 -0.04 0.88 0.86 2h66A1 GLY 33 H 0.01 0.93 0.43 -0.55 8.43 9.25 2h66A1 GLY 33 HA2 0.01 -0.03 0.37 -0.51 4.01 3.86 2h66A1 GLY 33 HA3 0.02 -0.03 0.41 -0.51 4.01 3.90 2h66A1 LYS 34 H 0.07 0.24 -0.33 -0.55 8.42 7.84 2h66A1 LYS 34 HA 0.06 0.08 0.84 -0.75 4.32 4.55 2h66A1 LYS 34 HB2 0.10 0.08 -0.01 -0.04 1.87 2.00 2h66A1 LYS 34 HB3 0.10 -0.11 -0.01 -0.04 1.79 1.73 2h66A1 LYS 34 HG2 0.03 0.07 -0.35 -0.04 1.46 1.17 2h66A1 LYS 34 HG3 0.01 0.10 -0.08 -0.04 1.46 1.44 2h66A1 LYS 34 HD2 0.03 -0.03 0.06 -0.04 1.69 1.71 2h66A1 LYS 34 HD3 0.01 -0.07 0.00 -0.04 1.68 1.58 2h66A1 LYS 34 HE2 -0.01 -0.06 0.02 -0.04 2.99 2.90 2h66A1 LYS 34 HE3 0.03 0.06 0.00 -0.04 2.99 3.05 2h66A1 LYS 35 H 0.19 0.66 0.31 -0.55 8.42 9.02 2h66A1 LYS 35 HA 0.16 0.04 0.20 -0.75 4.32 3.96 2h66A1 LYS 35 HB2 0.19 0.28 0.18 -0.04 1.87 2.49 2h66A1 LYS 35 HB3 0.18 0.13 0.21 -0.04 1.79 2.27 2h66A1 LYS 35 HG2 0.30 -0.04 -0.22 -0.04 1.46 1.45 2h66A1 LYS 35 HG3 0.30 -0.05 -0.10 -0.04 1.46 1.58 2h66A1 LYS 35 HD2 0.17 -0.13 -0.12 -0.04 1.69 1.56 2h66A1 LYS 35 HD3 0.17 0.05 -0.29 -0.04 1.68 1.57 2h66A1 LYS 35 HE2 0.27 -0.04 -0.10 -0.04 2.99 3.09 2h66A1 LYS 35 HE3 0.23 -0.06 -0.12 -0.04 2.99 3.01 2h66A1 TYR 36 H 0.41 0.41 0.27 -0.55 8.29 8.83 2h66A1 TYR 36 HA 0.05 0.13 0.59 -0.75 4.56 4.57 2h66A1 TYR 36 HB2 0.05 0.17 0.10 -0.04 3.06 3.34 2h66A1 TYR 36 HB3 0.04 -0.06 -0.06 -0.04 2.98 2.86 2h66A1 TYR 36 HD2 0.06 0.07 -0.01 -0.04 7.15 7.22 2h66A1 TYR 36 HE2 0.05 0.02 -0.02 -0.04 6.85 6.86 2h66A1 VAL 37 H 0.06 0.53 0.33 -0.55 8.24 8.61 2h66A1 VAL 37 HA -0.16 0.23 0.99 -0.75 4.13 4.44 2h66A1 VAL 37 HB -0.01 -0.08 0.12 -0.04 2.12 2.10 2h66A1 VAL 37 HG13 -0.16 -0.02 -0.23 -0.04 0.97 0.52 2h66A1 VAL 37 HG23 -0.34 0.03 -0.14 -0.04 0.95 0.47 2h66A1 LEU 38 H -0.11 0.76 0.19 -0.55 8.37 8.66 2h66A1 LEU 38 HA 0.07 0.24 0.95 -0.75 4.35 4.86 2h66A1 LEU 38 HB2 -0.01 0.00 -0.02 -0.04 1.64 1.57 2h66A1 LEU 38 HB3 -0.19 -0.05 0.15 -0.04 1.64 1.51 2h66A1 LEU 38 HG 0.11 -0.01 -0.09 -0.04 1.64 1.61 2h66A1 LEU 38 HD13 0.04 -0.02 -0.17 -0.04 0.93 0.74 2h66A1 LEU 38 HD23 0.23 0.00 -0.18 -0.04 0.89 0.91 2h66A1 LEU 39 H 0.02 0.65 0.20 -0.55 8.37 8.68 2h66A1 LEU 39 HA -0.23 0.24 0.85 -0.75 4.35 4.46 2h66A1 LEU 39 HB2 -0.14 -0.01 0.02 -0.04 1.64 1.47 2h66A1 LEU 39 HB3 -0.17 -0.06 0.09 -0.04 1.64 1.46 2h66A1 LEU 39 HG -0.47 -0.04 -0.12 -0.04 1.64 0.97 2h66A1 LEU 39 HD13 -0.67 -0.02 -0.17 -0.04 0.93 0.03 2h66A1 LEU 39 HD23 -0.83 0.02 -0.23 -0.04 0.89 -0.19 2h66A1 TYR 40 H -0.32 0.59 0.36 -0.55 8.29 8.37 2h66A1 TYR 40 HA -0.32 0.30 1.18 -0.75 4.56 4.97 2h66A1 TYR 40 HB2 -0.95 0.12 0.16 -0.04 3.06 2.35 2h66A1 TYR 40 HB3 -0.55 -0.07 0.01 -0.04 2.98 2.33 2h66A1 TYR 40 HD2 -0.17 0.08 -0.18 -0.04 7.15 6.83 2h66A1 TYR 40 HE2 -0.24 -0.02 -0.22 -0.04 6.85 6.32 2h66A1 PHE 41 H 0.04 0.50 0.34 -0.55 8.34 8.68 2h66A1 PHE 41 HA -0.27 0.34 1.05 -0.75 4.62 4.98 2h66A1 PHE 41 HB2 -0.12 -0.03 0.12 -0.04 3.15 3.08 2h66A1 PHE 41 HB3 -0.15 0.06 0.05 -0.04 3.06 2.97 2h66A1 PHE 41 HD2 -0.19 -0.00 -0.17 -0.04 7.28 6.87 2h66A1 PHE 41 HE2 -0.35 -0.08 -0.27 -0.04 7.38 6.64 2h66A1 PHE 41 HZ -0.65 0.01 -0.29 -0.04 7.32 6.34 2h66A1 TYR 42 H -0.30 0.48 0.30 -0.55 8.29 8.22 2h66A1 TYR 42 HA 0.06 0.13 0.43 -0.75 4.56 4.42 2h66A1 TYR 42 HB2 0.10 0.02 0.05 -0.04 3.06 3.18 2h66A1 TYR 42 HB3 0.14 0.03 -0.11 -0.04 2.98 3.00 2h66A1 TYR 42 HD2 -0.01 0.00 -0.29 -0.04 7.15 6.81 2h66A1 TYR 42 HE2 -0.14 -0.05 -0.31 -0.04 6.85 6.31 2h66A1 PRO 43 HA -0.04 0.03 0.43 -0.51 4.44 4.35 2h66A1 PRO 43 HB2 0.03 -0.00 0.01 -0.04 2.28 2.28 2h66A1 PRO 43 HB3 0.02 0.11 0.07 -0.04 2.02 2.18 2h66A1 PRO 43 HG2 0.06 0.00 0.04 -0.04 2.03 2.10 2h66A1 PRO 43 HG3 0.04 0.12 0.01 -0.04 2.03 2.16 2h66A1 PRO 43 HD2 0.21 0.09 0.13 -0.04 3.68 4.07 2h66A1 PRO 43 HD3 0.17 0.09 0.10 -0.04 3.65 3.98 2h66A1 LEU 44 H 0.15 0.24 -0.03 -0.55 8.37 8.19 2h66A1 LEU 44 HA -0.08 0.01 0.80 -0.75 4.35 4.33 2h66A1 LEU 44 HB2 -0.00 -0.06 -0.07 -0.04 1.64 1.47 2h66A1 LEU 44 HB3 -0.06 0.19 -0.08 -0.04 1.64 1.64 2h66A1 LEU 44 HG -0.01 -0.05 -0.46 -0.04 1.64 1.08 2h66A1 LEU 44 HD13 -0.00 0.01 -0.07 -0.04 0.93 0.83 2h66A1 LEU 44 HD23 -0.04 0.02 0.10 -0.04 0.89 0.93 2h66A1 ASP 45 H -0.20 0.06 0.11 -0.55 8.40 7.81 2h66A1 ASP 45 HA -1.86 0.13 0.64 -0.75 4.63 2.78 2h66A1 ASP 45 HB2 -0.33 -0.03 -0.01 -0.04 2.71 2.29 2h66A1 ASP 45 HB3 -1.49 0.09 -0.01 -0.04 2.70 1.26 2h66A1 PHE 46 H -2.31 0.20 0.13 -0.55 8.34 5.81 2h66A1 PHE 46 HA -0.28 0.14 0.29 -0.75 4.62 4.02 2h66A1 PHE 46 HB2 -0.32 0.11 -0.41 -0.04 3.15 2.49 2h66A1 PHE 46 HB3 -0.14 0.01 0.13 -0.04 3.06 3.01 2h66A1 PHE 46 HD2 -0.11 0.02 -0.12 -0.04 7.28 7.03 2h66A1 PHE 46 HE2 0.12 0.02 -0.07 -0.04 7.38 7.42 2h66A1 PHE 46 HZ 0.17 0.02 -0.44 -0.04 7.32 7.03 2h66A1 THR 47 H -0.16 0.08 -0.44 -0.55 8.28 7.21 2h66A1 THR 47 HA 0.12 0.14 0.74 -0.75 4.39 4.63 2h66A1 THR 47 HB 0.09 -0.12 0.13 -0.04 4.32 4.39 2h66A1 THR 47 HG23 0.00 0.02 -0.15 -0.04 1.22 1.05 2h66A1 PHE 48 H 0.32 0.04 0.12 -0.55 8.34 8.27 2h66A1 PHE 48 HA 0.14 0.36 0.97 -0.75 4.62 5.33 2h66A1 PHE 48 HB2 0.07 -0.05 0.05 -0.04 3.15 3.18 2h66A1 PHE 48 HB3 0.07 -0.02 0.05 -0.04 3.06 3.12 2h66A1 PHE 48 HD2 0.09 -0.07 -0.07 -0.04 7.28 7.18 2h66A1 PHE 48 HE2 0.10 0.00 -0.20 -0.04 7.38 7.24 2h66A1 PHE 48 HZ 0.12 0.10 -0.04 -0.04 7.32 7.47 2h66A1 VAL 49 H 0.17 -0.04 0.04 -0.55 8.24 7.87 2h66A1 VAL 49 HA 0.11 0.05 0.57 -0.75 4.13 4.10 2h66A1 VAL 49 HB 0.09 0.01 0.08 -0.04 2.12 2.26 2h66A1 VAL 49 HG13 0.07 0.01 0.03 -0.04 0.97 1.03 2h66A1 VAL 49 HG23 0.09 -0.01 0.10 -0.04 0.95 1.10 2h66A1 CYS 50 H 0.09 0.19 0.20 -0.55 8.50 8.42 2h66A1 CYS 50 HA 0.05 -0.03 0.35 -0.75 4.58 4.20 2h66A1 CYS 50 HB2 0.07 -0.02 -0.27 -0.04 2.97 2.71 2h66A1 CYS 50 HB3 0.08 0.14 -0.27 -0.04 2.97 2.89 2h66A1 PRO 51 HA 0.01 0.07 0.61 -0.51 4.44 4.62 2h66A1 PRO 51 HB2 -0.24 0.05 0.02 -0.04 2.28 2.07 2h66A1 PRO 51 HB3 0.13 0.08 0.12 -0.04 2.02 2.31 2h66A1 PRO 51 HG2 -0.02 -0.04 0.01 -0.04 2.03 1.93 2h66A1 PRO 51 HG3 -0.01 0.23 0.08 -0.04 2.03 2.28 2h66A1 PRO 51 HD2 0.08 0.06 -0.02 -0.04 3.68 3.76 2h66A1 PRO 51 HD3 0.10 0.26 -0.52 -0.04 3.65 3.45 2h66A1 SER 52 H -0.01 0.06 -0.54 -0.55 8.46 7.43 2h66A1 SER 52 HA -0.08 0.12 0.43 -0.75 4.49 4.20 2h66A1 SER 52 HB2 -0.02 0.01 0.04 -0.04 3.95 3.93 2h66A1 SER 52 HB3 -0.02 0.10 0.04 -0.04 3.93 4.01 2h66A1 GLU 53 H -0.02 0.36 -0.22 -0.55 8.60 8.18 2h66A1 GLU 53 HA -0.03 0.05 0.49 -0.75 4.29 4.05 2h66A1 GLU 53 HB2 0.02 -0.06 0.09 -0.04 2.09 2.10 2h66A1 GLU 53 HB3 -0.00 0.15 0.07 -0.04 1.99 2.17 2h66A1 GLU 53 HG2 0.10 0.02 -0.04 -0.04 2.34 2.38 2h66A1 GLU 53 HG3 -0.05 0.02 -0.22 -0.04 2.34 2.06 2h66A1 ILE 54 H -0.12 0.32 -0.27 -0.55 8.25 7.63 2h66A1 ILE 54 HA -0.13 0.10 0.44 -0.75 4.18 3.84 2h66A1 ILE 54 HB 0.03 -0.02 0.01 -0.04 1.89 1.87 2h66A1 ILE 54 HG12 -0.40 0.01 -0.03 -0.04 1.49 1.02 2h66A1 ILE 54 HG13 -0.29 0.10 -0.19 -0.04 1.21 0.79 2h66A1 ILE 54 HG23 -0.24 0.02 -0.01 -0.04 0.93 0.66 2h66A1 ILE 54 HD13 -0.08 -0.02 -0.10 -0.04 0.88 0.64 2h66A1 ILE 55 H -0.14 0.32 -0.08 -0.55 8.25 7.80 2h66A1 ILE 55 HA -0.10 0.12 0.59 -0.75 4.18 4.04 2h66A1 ILE 55 HB -0.15 0.14 0.13 -0.04 1.89 1.97 2h66A1 ILE 55 HG12 -0.06 -0.08 -0.11 -0.04 1.49 1.20 2h66A1 ILE 55 HG13 -0.08 0.02 -0.02 -0.04 1.21 1.09 2h66A1 ILE 55 HG23 -0.19 -0.00 0.10 -0.04 0.93 0.80 2h66A1 ILE 55 HD13 -0.05 0.01 -0.09 -0.04 0.88 0.70 2h66A1 ALA 56 H -0.06 0.52 -0.17 -0.55 8.40 8.15 2h66A1 ALA 56 HA -0.02 0.03 0.46 -0.75 4.34 4.05 2h66A1 ALA 56 HB3 -0.03 0.01 0.10 -0.04 1.41 1.45 2h66A1 LEU 57 H -0.04 0.39 -0.32 -0.55 8.37 7.85 2h66A1 LEU 57 HA 0.07 0.02 0.49 -0.75 4.35 4.18 2h66A1 LEU 57 HB2 -0.15 0.10 0.12 -0.04 1.64 1.67 2h66A1 LEU 57 HB3 -0.24 -0.03 -0.05 -0.04 1.64 1.28 2h66A1 LEU 57 HG -0.09 0.07 0.03 -0.04 1.64 1.61 2h66A1 LEU 57 HD13 -0.60 -0.02 -0.10 -0.04 0.93 0.18 2h66A1 LEU 57 HD23 0.01 -0.02 -0.05 -0.04 0.89 0.79 2h66A1 ASP 58 H 0.06 0.43 -0.22 -0.55 8.40 8.13 2h66A1 ASP 58 HA 0.19 0.04 0.59 -0.75 4.63 4.69 2h66A1 ASP 58 HB2 0.10 0.13 0.19 -0.04 2.71 3.10 2h66A1 ASP 58 HB3 0.02 0.13 0.13 -0.04 2.70 2.94 2h66A1 LYS 59 H 0.01 0.70 0.03 -0.55 8.42 8.61 2h66A1 LYS 59 HA 0.01 0.01 0.43 -0.75 4.32 4.01 2h66A1 LYS 59 HB2 -0.01 0.15 0.16 -0.04 1.87 2.12 2h66A1 LYS 59 HB3 -0.01 0.10 0.07 -0.04 1.79 1.91 2h66A1 LYS 59 HG2 -0.02 -0.04 0.02 -0.04 1.46 1.38 2h66A1 LYS 59 HG3 -0.01 -0.03 0.06 -0.04 1.46 1.44 2h66A1 LYS 59 HD2 -0.02 -0.02 0.02 -0.04 1.69 1.64 2h66A1 LYS 59 HD3 -0.01 -0.00 0.06 -0.04 1.68 1.69 2h66A1 LYS 59 HE2 -0.03 -0.01 -0.01 -0.04 2.99 2.90 2h66A1 LYS 59 HE3 -0.03 0.08 -0.00 -0.04 2.99 3.00 2h66A1 ALA 60 H 0.05 0.23 -0.83 -0.55 8.40 7.31 2h66A1 ALA 60 HA -0.03 0.11 0.76 -0.75 4.34 4.42 2h66A1 ALA 60 HB3 -0.05 0.00 0.11 -0.04 1.41 1.43 2h66A1 LEU 61 H 0.08 0.63 -0.21 -0.55 8.37 8.33 2h66A1 LEU 61 HA 0.30 0.07 0.26 -0.75 4.35 4.23 2h66A1 LEU 61 HB2 0.11 0.36 0.28 -0.04 1.64 2.35 2h66A1 LEU 61 HB3 0.12 -0.03 0.04 -0.04 1.64 1.73 2h66A1 LEU 61 HG 0.12 -0.05 0.10 -0.04 1.64 1.77 2h66A1 LEU 61 HD13 0.23 0.00 -0.04 -0.04 0.93 1.08 2h66A1 LEU 61 HD23 -0.17 -0.01 0.09 -0.04 0.89 0.76 2h66A1 ASP 62 H 0.06 0.18 -0.15 -0.55 8.40 7.94 2h66A1 ASP 62 HA 0.17 0.06 0.47 -0.75 4.63 4.57 2h66A1 ASP 62 HB2 0.02 0.02 0.10 -0.04 2.71 2.81 2h66A1 ASP 62 HB3 0.03 0.04 -0.02 -0.04 2.70 2.71 2h66A1 ALA 63 H -0.08 0.18 -0.18 -0.55 8.40 7.77 2h66A1 ALA 63 HA -0.11 0.03 0.42 -0.75 4.34 3.93 2h66A1 ALA 63 HB3 -0.30 0.05 0.09 -0.04 1.41 1.20 2h66A1 PHE 64 H -0.09 0.30 -0.39 -0.55 8.34 7.61 2h66A1 PHE 64 HA -0.08 0.02 0.54 -0.75 4.62 4.35 2h66A1 PHE 64 HB2 -0.23 0.13 0.19 -0.04 3.15 3.21 2h66A1 PHE 64 HB3 -0.16 0.15 0.03 -0.04 3.06 3.04 2h66A1 PHE 64 HD2 -0.10 0.01 -0.10 -0.04 7.28 7.05 2h66A1 PHE 64 HE2 -0.09 0.01 -0.08 -0.04 7.38 7.18 2h66A1 PHE 64 HZ -0.09 -0.08 -0.05 -0.04 7.32 7.06 2h66A1 HIS 65 H -0.01 0.39 0.08 -0.55 8.41 8.32 2h66A1 HIS 65 HA 0.09 0.05 0.44 -0.75 4.63 4.46 2h66A1 HIS 65 HB2 0.05 0.02 0.18 -0.04 3.26 3.48 2h66A1 HIS 65 HB3 0.06 -0.00 0.04 -0.04 3.20 3.25 2h66A1 HIS 65 HD2 0.07 -0.06 -0.06 -0.04 6.97 6.87 2h66A1 HIS 65 HE1 0.09 -0.04 0.01 -0.04 7.75 7.77 2h66A1 GLU 66 H 0.08 0.55 -0.08 -0.55 8.60 8.60 2h66A1 GLU 66 HA 0.05 0.04 0.46 -0.75 4.29 4.09 2h66A1 GLU 66 HB2 -0.02 0.11 0.10 -0.04 2.09 2.24 2h66A1 GLU 66 HB3 -0.00 -0.02 -0.02 -0.04 1.99 1.91 2h66A1 GLU 66 HG2 0.02 -0.02 0.03 -0.04 2.34 2.32 2h66A1 GLU 66 HG3 0.04 0.01 0.03 -0.04 2.34 2.39 2h66A1 ARG 67 H 0.01 0.31 -0.29 -0.55 8.46 7.94 2h66A1 ARG 67 HA -0.03 0.09 0.63 -0.75 4.34 4.27 2h66A1 ARG 67 HB2 -0.02 -0.01 -0.03 -0.04 1.90 1.80 2h66A1 ARG 67 HB3 -0.11 -0.06 0.07 -0.04 1.80 1.67 2h66A1 ARG 67 HG2 -0.09 0.49 0.19 -0.04 1.67 2.22 2h66A1 ARG 67 HG3 -0.10 -0.12 -0.00 -0.04 1.67 1.40 2h66A1 ARG 67 HD2 -0.07 -0.04 -0.03 -0.04 3.22 3.04 2h66A1 ARG 67 HD3 -0.05 -0.01 -0.20 -0.04 3.22 2.92 2h66A1 ASN 68 H 0.08 0.26 -0.52 -0.55 8.53 7.81 2h66A1 ASN 68 HA 0.14 0.05 0.33 -0.75 4.76 4.52 2h66A1 ASN 68 HB2 0.09 0.03 -0.19 -0.04 2.88 2.77 2h66A1 ASN 68 HB3 0.12 0.15 0.27 -0.04 2.79 3.29 2h66A1 ASN 68 HD21 0.15 0.33 0.25 -0.04 7.03 7.71 2h66A1 ASN 68 HD22 0.20 -0.07 0.15 -0.04 7.74 7.98 2h66A1 VAL 69 H 0.10 0.61 0.01 -0.55 8.24 8.42 2h66A1 VAL 69 HA 0.12 0.37 0.92 -0.75 4.13 4.80 2h66A1 VAL 69 HB 0.12 -0.03 -0.18 -0.04 2.12 1.99 2h66A1 VAL 69 HG13 0.11 0.04 -0.18 -0.04 0.97 0.90 2h66A1 VAL 69 HG23 0.02 -0.01 -0.30 -0.04 0.95 0.61 2h66A1 GLU 70 H -0.03 0.66 0.17 -0.55 8.60 8.85 2h66A1 GLU 70 HA -0.03 0.04 0.68 -0.75 4.29 4.23 2h66A1 GLU 70 HB2 -0.07 0.05 0.03 -0.04 2.09 2.06 2h66A1 GLU 70 HB3 -0.48 0.01 0.10 -0.04 1.99 1.57 2h66A1 GLU 70 HG2 -0.38 -0.03 -0.13 -0.04 2.34 1.76 2h66A1 GLU 70 HG3 -0.17 0.00 -0.39 -0.04 2.34 1.75 2h66A1 LEU 71 H -0.15 0.16 0.14 -0.55 8.37 7.97 2h66A1 LEU 71 HA -0.30 0.28 0.88 -0.75 4.35 4.45 2h66A1 LEU 71 HB2 -0.49 0.03 0.07 -0.04 1.64 1.21 2h66A1 LEU 71 HB3 -0.38 -0.09 0.08 -0.04 1.64 1.21 2h66A1 LEU 71 HG -1.32 0.01 -0.05 -0.04 1.64 0.23 2h66A1 LEU 71 HD13 -0.86 -0.02 -0.15 -0.04 0.93 -0.13 2h66A1 LEU 71 HD23 -0.31 0.03 -0.07 -0.04 0.89 0.50 2h66A1 LEU 72 H -0.17 0.61 0.26 -0.55 8.37 8.52 2h66A1 LEU 72 HA -0.06 0.26 0.88 -0.75 4.35 4.67 2h66A1 LEU 72 HB2 -0.25 -0.05 0.05 -0.04 1.64 1.35 2h66A1 LEU 72 HB3 -0.20 0.03 -0.03 -0.04 1.64 1.40 2h66A1 LEU 72 HG -0.17 -0.03 -0.50 -0.04 1.64 0.90 2h66A1 LEU 72 HD13 -0.01 -0.01 -0.18 -0.04 0.93 0.68 2h66A1 LEU 72 HD23 0.05 0.02 -0.12 -0.04 0.89 0.80 2h66A1 GLY 73 H -0.10 0.56 0.29 -0.55 8.43 8.63 2h66A1 GLY 73 HA2 -1.73 0.22 0.91 -0.51 4.01 2.90 2h66A1 GLY 73 HA3 -0.61 -0.02 0.33 -0.51 4.01 3.20 2h66A1 CYS 74 H -0.58 0.27 0.17 -0.55 8.50 7.81 2h66A1 CYS 74 HA -0.33 0.27 0.82 -0.75 4.58 4.59 2h66A1 CYS 74 HB2 -0.68 0.04 -0.28 -0.04 2.97 2.01 2h66A1 CYS 74 HB3 -1.17 0.09 -0.06 -0.04 2.97 1.79 2h66A1 SER 75 H -0.15 0.39 0.24 -0.55 8.46 8.40 2h66A1 SER 75 HA -0.36 0.27 0.70 -0.75 4.49 4.34 2h66A1 SER 75 HB2 -0.60 0.24 0.04 -0.04 3.95 3.59 2h66A1 SER 75 HB3 -1.47 -0.03 -0.12 -0.04 3.93 2.27 2h66A1 VAL 76 H -0.15 0.31 0.22 -0.55 8.24 8.07 2h66A1 VAL 76 HA -0.08 0.06 0.45 -0.75 4.13 3.80 2h66A1 VAL 76 HB -0.07 -0.01 0.30 -0.04 2.12 2.30 2h66A1 VAL 76 HG13 -0.05 0.06 0.02 -0.04 0.97 0.95 2h66A1 VAL 76 HG23 -0.03 0.05 0.07 -0.04 0.95 1.00 2h66A1 ASP 77 H -0.12 -0.02 -0.31 -0.55 8.40 7.40 2h66A1 ASP 77 HA -0.11 0.12 0.46 -0.75 4.63 4.35 2h66A1 ASP 77 HB2 -0.21 0.01 -0.03 -0.04 2.71 2.43 2h66A1 ASP 77 HB3 -0.14 -0.03 0.06 -0.04 2.70 2.55 2h66A1 SER 78 H -0.11 0.13 0.17 -0.55 8.46 8.10 2h66A1 SER 78 HA -0.16 0.16 0.65 -0.75 4.49 4.39 2h66A1 SER 78 HB2 0.01 -0.02 0.19 -0.04 3.95 4.08 2h66A1 SER 78 HB3 -0.03 0.16 0.17 -0.04 3.93 4.19 2h66A1 LYS 79 H -0.19 0.19 0.15 -0.55 8.42 8.03 2h66A1 LYS 79 HA -0.09 0.14 0.36 -0.75 4.32 3.98 2h66A1 LYS 79 HB2 -0.25 0.11 -0.06 -0.04 1.87 1.63 2h66A1 LYS 79 HB3 -0.24 0.02 0.00 -0.04 1.79 1.54 2h66A1 LYS 79 HG2 -0.46 -0.08 0.12 -0.04 1.46 1.00 2h66A1 LYS 79 HG3 -1.30 0.04 -0.08 -0.04 1.46 0.07 2h66A1 LYS 79 HD2 -2.30 0.05 -0.01 -0.04 1.69 -0.61 2h66A1 LYS 79 HD3 -0.59 -0.00 0.04 -0.04 1.68 1.08 2h66A1 LYS 79 HE2 -0.36 0.03 0.04 -0.04 2.99 2.66 2h66A1 LYS 79 HE3 -0.32 -0.04 0.05 -0.04 2.99 2.64 2h66A1 TYR 80 H 0.00 0.06 -0.20 -0.55 8.29 7.61 2h66A1 TYR 80 HA 0.24 0.15 0.33 -0.75 4.56 4.52 2h66A1 TYR 80 HB2 -0.00 -0.05 0.04 -0.04 3.06 3.01 2h66A1 TYR 80 HB3 0.08 0.08 -0.02 -0.04 2.98 3.08 2h66A1 TYR 80 HD2 0.04 -0.02 0.03 -0.04 7.15 7.15 2h66A1 TYR 80 HE2 0.03 0.03 0.01 -0.04 6.85 6.88 2h66A1 THR 81 H 0.08 0.08 -0.40 -0.55 8.28 7.50 2h66A1 THR 81 HA 0.24 0.11 0.39 -0.75 4.39 4.38 2h66A1 THR 81 HB -0.04 0.05 0.06 -0.04 4.32 4.35 2h66A1 THR 81 HG23 0.16 0.02 -0.09 -0.04 1.22 1.27 2h66A1 HIS 82 H -0.02 0.49 -0.17 -0.55 8.41 8.16 2h66A1 HIS 82 HA 0.18 -0.01 0.38 -0.75 4.63 4.42 2h66A1 HIS 82 HB2 0.08 0.10 0.08 -0.04 3.26 3.49 2h66A1 HIS 82 HB3 0.09 0.03 -0.07 -0.04 3.20 3.20 2h66A1 HIS 82 HD2 -0.03 0.03 -0.42 -0.04 6.97 6.50 2h66A1 HIS 82 HE1 -0.03 -0.16 -0.10 -0.04 7.75 7.41 2h66A1 LEU 83 H 0.25 0.51 -0.25 -0.55 8.37 8.33 2h66A1 LEU 83 HA 0.11 0.07 0.31 -0.75 4.35 4.09 2h66A1 LEU 83 HB2 0.20 0.01 0.06 -0.04 1.64 1.87 2h66A1 LEU 83 HB3 0.23 0.07 0.13 -0.04 1.64 2.03 2h66A1 LEU 83 HG 0.08 -0.02 -0.17 -0.04 1.64 1.49 2h66A1 LEU 83 HD13 -0.07 0.01 0.02 -0.04 0.93 0.86 2h66A1 LEU 83 HD23 -0.08 -0.01 -0.01 -0.04 0.89 0.75 2h66A1 ALA 84 H 0.27 0.48 -0.13 -0.55 8.40 8.48 2h66A1 ALA 84 HA 0.22 0.03 0.31 -0.75 4.34 4.14 2h66A1 ALA 84 HB3 0.37 0.02 0.08 -0.04 1.41 1.83 2h66A1 TRP 85 H 0.30 0.44 -0.38 -0.55 7.97 7.79 2h66A1 TRP 85 HA -0.55 0.03 0.37 -0.75 4.62 3.72 2h66A1 TRP 85 HB2 -0.45 0.09 0.10 -0.04 3.23 2.92 2h66A1 TRP 85 HB3 -0.23 0.11 0.05 -0.04 3.23 3.12 2h66A1 TRP 85 HD1 -1.19 0.04 0.06 -0.04 7.22 6.09 2h66A1 TRP 85 HE1 -0.40 0.38 0.08 -0.04 10.20 10.21 2h66A1 TRP 85 HE3 -0.14 0.05 -0.03 -0.04 7.59 7.43 2h66A1 TRP 85 HZ2 -0.20 0.21 0.09 -0.04 7.44 7.49 2h66A1 TRP 85 HZ3 -0.33 -0.02 -0.07 -0.04 7.13 6.67 2h66A1 TRP 85 HH2 -0.26 0.02 0.00 -0.04 7.19 6.92 2h66A1 LYS 86 H 0.10 0.48 -0.15 -0.55 8.42 8.30 2h66A1 LYS 86 HA -0.19 0.02 0.57 -0.75 4.32 3.97 2h66A1 LYS 86 HB2 0.01 0.15 0.12 -0.04 1.87 2.10 2h66A1 LYS 86 HB3 -0.06 -0.03 -0.09 -0.04 1.79 1.57 2h66A1 LYS 86 HG2 -0.16 0.06 0.05 -0.04 1.46 1.37 2h66A1 LYS 86 HG3 -0.03 0.02 0.02 -0.04 1.46 1.43 2h66A1 LYS 86 HD2 -0.07 -0.07 -0.10 -0.04 1.69 1.41 2h66A1 LYS 86 HD3 -0.02 -0.04 -0.07 -0.04 1.68 1.51 2h66A1 LYS 86 HE2 -0.07 -0.08 -0.00 -0.04 2.99 2.80 2h66A1 LYS 86 HE3 -0.13 -0.05 0.04 -0.04 2.99 2.81 2h66A1 LYS 87 H 0.09 0.34 -0.35 -0.55 8.42 7.95 2h66A1 LYS 87 HA 0.02 0.04 0.40 -0.75 4.32 4.02 2h66A1 LYS 87 HB2 0.09 0.15 0.07 -0.04 1.87 2.13 2h66A1 LYS 87 HB3 0.11 0.01 0.03 -0.04 1.79 1.90 2h66A1 LYS 87 HG2 0.06 -0.05 0.02 -0.04 1.46 1.44 2h66A1 LYS 87 HG3 0.04 -0.03 0.09 -0.04 1.46 1.52 2h66A1 LYS 87 HD2 0.01 -0.03 -0.02 -0.04 1.69 1.61 2h66A1 LYS 87 HD3 0.02 0.04 -0.08 -0.04 1.68 1.61 2h66A1 LYS 87 HE2 0.01 0.00 -0.02 -0.04 2.99 2.93 2h66A1 LYS 87 HE3 0.04 0.01 -0.09 -0.04 2.99 2.91 2h66A1 THR 88 H 0.05 0.14 -0.67 -0.55 8.28 7.26 2h66A1 THR 88 HA 0.11 0.16 0.74 -0.75 4.39 4.64 2h66A1 THR 88 HB 0.15 0.00 0.14 -0.04 4.32 4.58 2h66A1 THR 88 HG23 0.24 0.00 -0.18 -0.04 1.22 1.24 2h66A1 PRO 89 HA -0.01 0.06 0.44 -0.51 4.44 4.42 2h66A1 PRO 89 HB2 0.04 -0.16 0.01 -0.04 2.28 2.12 2h66A1 PRO 89 HB3 0.02 0.10 0.12 -0.04 2.02 2.22 2h66A1 PRO 89 HG2 0.07 -0.02 0.10 -0.04 2.03 2.14 2h66A1 PRO 89 HG3 0.05 0.10 0.10 -0.04 2.03 2.23 2h66A1 PRO 89 HD2 0.09 0.11 0.27 -0.04 3.68 4.10 2h66A1 PRO 89 HD3 0.05 0.26 0.20 -0.04 3.65 4.12 2h66A1 LEU 90 H -0.03 0.18 0.14 -0.55 8.37 8.12 2h66A1 LEU 90 HA -0.08 0.29 0.28 -0.75 4.35 4.09 2h66A1 LEU 90 HB2 -0.01 -0.03 0.03 -0.04 1.64 1.58 2h66A1 LEU 90 HB3 -0.04 0.05 0.00 -0.04 1.64 1.62 2h66A1 LEU 90 HG -0.05 -0.07 0.09 -0.04 1.64 1.57 2h66A1 LEU 90 HD13 -0.03 0.01 -0.01 -0.04 0.93 0.85 2h66A1 LEU 90 HD23 -0.11 0.03 -0.16 -0.04 0.89 0.61 2h66A1 ALA 91 H 0.03 0.02 -0.42 -0.55 8.40 7.49 2h66A1 ALA 91 HA 0.07 0.14 0.43 -0.75 4.34 4.22 2h66A1 ALA 91 HB3 0.04 0.01 0.03 -0.04 1.41 1.45 2h66A1 LYS 92 H 0.09 0.34 -0.21 -0.55 8.42 8.09 2h66A1 LYS 92 HA 0.23 0.13 0.65 -0.75 4.32 4.58 2h66A1 LYS 92 HB2 0.15 0.05 0.00 -0.04 1.87 2.03 2h66A1 LYS 92 HB3 0.20 0.01 0.12 -0.04 1.79 2.07 2h66A1 LYS 92 HG2 0.09 -0.13 -0.09 -0.04 1.46 1.29 2h66A1 LYS 92 HG3 0.10 0.00 0.02 -0.04 1.46 1.54 2h66A1 LYS 92 HD2 0.08 -0.00 0.00 -0.04 1.69 1.73 2h66A1 LYS 92 HD3 0.12 0.03 0.02 -0.04 1.68 1.82 2h66A1 LYS 92 HE2 0.07 0.02 -0.03 -0.04 2.99 3.00 2h66A1 LYS 92 HE3 0.08 -0.01 -0.15 -0.04 2.99 2.87 2h66A1 GLY 93 H 0.10 0.15 -0.53 -0.55 8.43 7.60 2h66A1 GLY 93 HA2 -0.01 0.04 0.21 -0.51 4.01 3.75 2h66A1 GLY 93 HA3 -0.34 0.11 0.47 -0.51 4.01 3.75 2h66A1 GLY 94 H 0.01 0.22 -0.29 -0.55 8.43 7.82 2h66A1 GLY 94 HA2 -0.43 0.02 0.58 -0.51 4.01 3.67 2h66A1 GLY 94 HA3 -0.16 0.27 0.26 -0.51 4.01 3.87 2h66A1 ILE 95 H -0.70 0.53 0.28 -0.55 8.25 7.80 2h66A1 ILE 95 HA -0.50 0.19 1.01 -0.75 4.18 4.13 2h66A1 ILE 95 HB -0.59 -0.08 0.12 -0.04 1.89 1.30 2h66A1 ILE 95 HG12 -1.14 -0.04 -0.16 -0.04 1.49 0.10 2h66A1 ILE 95 HG13 -0.48 0.23 -0.13 -0.04 1.21 0.79 2h66A1 ILE 95 HG23 -1.77 -0.00 -0.06 -0.04 0.93 -0.95 2h66A1 ILE 95 HD13 -0.43 -0.03 -0.07 -0.04 0.88 0.32 2h66A1 GLY 96 H -0.25 0.21 0.09 -0.55 8.43 7.94 2h66A1 GLY 96 HA2 -0.11 0.16 0.35 -0.51 4.01 3.90 2h66A1 GLY 96 HA3 -0.13 -0.03 0.38 -0.51 4.01 3.73 2h66A1 ASN 97 H -0.07 0.07 0.11 -0.55 8.53 8.09 2h66A1 ASN 97 HA -0.08 0.16 0.46 -0.75 4.76 4.54 2h66A1 ASN 97 HB2 -0.04 -0.08 0.18 -0.04 2.88 2.89 2h66A1 ASN 97 HB3 -0.04 0.10 0.17 -0.04 2.79 2.97 2h66A1 ASN 97 HD21 -0.02 -0.00 0.01 -0.04 7.03 6.97 2h66A1 ASN 97 HD22 -0.03 -0.04 0.04 -0.04 7.74 7.68 2h66A1 ILE 98 H -0.16 0.55 -0.22 -0.55 8.25 7.87 2h66A1 ILE 98 HA -0.10 -0.06 0.49 -0.75 4.18 3.75 2h66A1 ILE 98 HB -0.32 -0.17 0.08 -0.04 1.89 1.44 2h66A1 ILE 98 HG12 -0.26 0.08 0.02 -0.04 1.49 1.29 2h66A1 ILE 98 HG13 -0.25 0.08 -0.18 -0.04 1.21 0.82 2h66A1 ILE 98 HG23 -0.22 0.05 0.00 -0.04 0.93 0.72 2h66A1 ILE 98 HD13 -0.65 -0.04 -0.15 -0.04 0.88 0.01 2h66A1 LYS 99 H -0.02 0.01 0.22 -0.55 8.42 8.08 2h66A1 LYS 99 HA 0.01 0.20 0.80 -0.75 4.32 4.57 2h66A1 LYS 99 HB2 0.09 -0.04 0.07 -0.04 1.87 1.96 2h66A1 LYS 99 HB3 0.07 -0.04 0.12 -0.04 1.79 1.90 2h66A1 LYS 99 HG2 0.03 0.02 0.02 -0.04 1.46 1.48 2h66A1 LYS 99 HG3 0.01 0.08 0.03 -0.04 1.46 1.53 2h66A1 LYS 99 HD2 0.03 0.02 0.02 -0.04 1.69 1.71 2h66A1 LYS 99 HD3 0.06 -0.02 0.05 -0.04 1.68 1.73 2h66A1 LYS 99 HE2 0.06 -0.02 0.01 -0.04 2.99 3.00 2h66A1 LYS 99 HE3 0.09 -0.02 0.01 -0.04 2.99 3.03 2h66A1 HIS 100 H -0.05 -0.03 0.02 -0.55 8.41 7.80 2h66A1 HIS 100 HA 0.05 0.11 0.67 -0.75 4.63 4.71 2h66A1 HIS 100 HB2 -0.03 0.18 0.17 -0.04 3.26 3.54 2h66A1 HIS 100 HB3 -0.02 -0.05 0.10 -0.04 3.20 3.19 2h66A1 HIS 100 HD2 -0.02 0.20 -0.29 -0.04 6.97 6.81 2h66A1 HIS 100 HE1 -0.05 0.12 -0.02 -0.04 7.75 7.76 2h66A1 THR 101 H 0.14 0.23 0.23 -0.55 8.28 8.33 2h66A1 THR 101 HA -0.08 0.33 0.55 -0.75 4.39 4.44 2h66A1 THR 101 HB 0.02 0.02 0.10 -0.04 4.32 4.41 2h66A1 THR 101 HG23 -0.37 -0.01 -0.34 -0.04 1.22 0.46 2h66A1 LEU 102 H -0.15 0.53 0.23 -0.55 8.37 8.43 2h66A1 LEU 102 HA -0.17 0.19 0.99 -0.75 4.35 4.61 2h66A1 LEU 102 HB2 -0.18 -0.02 0.12 -0.04 1.64 1.52 2h66A1 LEU 102 HB3 -0.60 -0.01 -0.11 -0.04 1.64 0.87 2h66A1 LEU 102 HG -0.21 0.11 -0.29 -0.04 1.64 1.20 2h66A1 LEU 102 HD13 -0.19 -0.00 -0.09 -0.04 0.93 0.61 2h66A1 LEU 102 HD23 -0.07 -0.02 -0.11 -0.04 0.89 0.65 2h66A1 LEU 103 H -0.21 0.86 0.30 -0.55 8.37 8.78 2h66A1 LEU 103 HA -0.08 0.16 0.81 -0.75 4.35 4.47 2h66A1 LEU 103 HB2 -0.31 -0.02 0.08 -0.04 1.64 1.36 2h66A1 LEU 103 HB3 -0.17 -0.03 -0.04 -0.04 1.64 1.35 2h66A1 LEU 103 HG -0.21 0.11 -0.08 -0.04 1.64 1.41 2h66A1 LEU 103 HD13 -0.39 -0.01 -0.17 -0.04 0.93 0.32 2h66A1 LEU 103 HD23 -0.05 -0.01 -0.25 -0.04 0.89 0.53 2h66A1 SER 104 H -0.04 0.73 0.35 -0.55 8.46 8.95 2h66A1 SER 104 HA -0.05 0.29 0.90 -0.75 4.49 4.87 2h66A1 SER 104 HB2 -0.17 -0.03 -0.12 -0.04 3.95 3.58 2h66A1 SER 104 HB3 -0.10 0.03 0.21 -0.04 3.93 4.03 2h66A1 ASP 105 H -0.10 0.88 0.21 -0.55 8.40 8.84 2h66A1 ASP 105 HA -0.06 0.07 0.75 -0.75 4.63 4.64 2h66A1 ASP 105 HB2 -0.10 0.08 -0.13 -0.04 2.71 2.52 2h66A1 ASP 105 HB3 -0.06 0.08 -0.10 -0.04 2.70 2.59 2h66A1 ILE 106 H -0.06 0.27 -0.32 -0.55 8.25 7.59 2h66A1 ILE 106 HA -0.06 0.32 0.12 -0.75 4.18 3.80 2h66A1 ILE 106 HB -0.07 -0.06 0.02 -0.04 1.89 1.73 2h66A1 ILE 106 HG12 -0.04 -0.05 0.03 -0.04 1.49 1.40 2h66A1 ILE 106 HG13 -0.03 0.06 -0.04 -0.04 1.21 1.16 2h66A1 ILE 106 HG23 -0.04 0.01 0.02 -0.04 0.93 0.89 2h66A1 ILE 106 HD13 -0.05 0.01 0.06 -0.04 0.88 0.85 2h66A1 THR 107 H -0.02 -0.01 -0.14 -0.55 8.28 7.56 2h66A1 THR 107 HA -0.01 0.25 0.72 -0.75 4.39 4.59 2h66A1 THR 107 HB 0.00 0.10 0.14 -0.04 4.32 4.52 2h66A1 THR 107 HG23 -0.00 0.01 0.03 -0.04 1.22 1.22 2h66A1 LYS 108 H -0.02 0.45 -0.26 -0.55 8.42 8.04 2h66A1 LYS 108 HA -0.00 0.02 0.25 -0.75 4.32 3.83 2h66A1 LYS 108 HB2 -0.00 0.33 0.10 -0.04 1.87 2.26 2h66A1 LYS 108 HB3 -0.00 -0.12 0.07 -0.04 1.79 1.69 2h66A1 LYS 108 HG2 -0.01 -0.03 -0.08 -0.04 1.46 1.29 2h66A1 LYS 108 HG3 -0.02 0.06 -0.26 -0.04 1.46 1.20 2h66A1 LYS 108 HD2 -0.01 0.01 -0.11 -0.04 1.69 1.54 2h66A1 LYS 108 HD3 -0.01 -0.12 -0.19 -0.04 1.68 1.32 2h66A1 LYS 108 HE2 -0.01 0.14 0.03 -0.04 2.99 3.10 2h66A1 LYS 108 HE3 -0.01 0.05 -0.21 -0.04 2.99 2.78 2h66A1 SER 109 H 0.01 -0.02 -0.57 -0.55 8.46 7.34 2h66A1 SER 109 HA 0.04 0.15 0.38 -0.75 4.49 4.31 2h66A1 SER 109 HB2 0.03 -0.10 0.04 -0.04 3.95 3.88 2h66A1 SER 109 HB3 0.06 0.03 -0.06 -0.04 3.93 3.91 2h66A1 ILE 110 H 0.04 0.03 -0.13 -0.55 8.25 7.64 2h66A1 ILE 110 HA 0.15 0.17 0.29 -0.75 4.18 4.03 2h66A1 ILE 110 HB 0.03 -0.04 -0.06 -0.04 1.89 1.78 2h66A1 ILE 110 HG12 -0.06 -0.07 -0.02 -0.04 1.49 1.31 2h66A1 ILE 110 HG13 -0.21 0.06 -0.11 -0.04 1.21 0.90 2h66A1 ILE 110 HG23 -0.20 0.04 -0.18 -0.04 0.93 0.54 2h66A1 ILE 110 HD13 0.08 -0.01 -0.05 -0.04 0.88 0.86 2h66A1 SER 111 H 0.10 0.04 -0.29 -0.55 8.46 7.76 2h66A1 SER 111 HA -0.21 0.07 0.18 -0.75 4.49 3.78 2h66A1 SER 111 HB2 -0.00 0.12 -0.12 -0.04 3.95 3.90 2h66A1 SER 111 HB3 -0.09 -0.02 -0.27 -0.04 3.93 3.51 2h66A1 LYS 112 H 0.02 0.51 -0.25 -0.55 8.42 8.15 2h66A1 LYS 112 HA 0.00 -0.04 0.52 -0.75 4.32 4.05 2h66A1 LYS 112 HB2 0.03 0.08 0.15 -0.04 1.87 2.09 2h66A1 LYS 112 HB3 0.01 0.00 -0.01 -0.04 1.79 1.76 2h66A1 LYS 112 HG2 -0.00 -0.06 0.01 -0.04 1.46 1.37 2h66A1 LYS 112 HG3 0.00 0.11 0.04 -0.04 1.46 1.57 2h66A1 LYS 112 HD2 0.01 0.01 -0.08 -0.04 1.69 1.59 2h66A1 LYS 112 HD3 0.00 -0.01 -0.02 -0.04 1.68 1.61 2h66A1 LYS 112 HE2 -0.01 -0.03 -0.03 -0.04 2.99 2.88 2h66A1 LYS 112 HE3 -0.01 -0.03 -0.05 -0.04 2.99 2.87 2h66A1 ASP 113 H 0.07 0.55 -0.04 -0.55 8.40 8.42 2h66A1 ASP 113 HA 0.00 0.02 0.37 -0.75 4.63 4.27 2h66A1 ASP 113 HB2 0.16 0.07 0.08 -0.04 2.71 2.98 2h66A1 ASP 113 HB3 -0.06 -0.04 0.02 -0.04 2.70 2.58 2h66A1 TYR 114 H 0.17 0.38 -0.33 -0.55 8.29 7.95 2h66A1 TYR 114 HA -0.10 0.20 0.84 -0.75 4.56 4.74 2h66A1 TYR 114 HB2 -0.28 -0.03 -0.08 -0.04 3.06 2.63 2h66A1 TYR 114 HB3 -0.16 -0.04 0.01 -0.04 2.98 2.75 2h66A1 TYR 114 HD2 -0.03 0.06 -0.10 -0.04 7.15 7.04 2h66A1 TYR 114 HE2 0.03 -0.02 -0.16 -0.04 6.85 6.66 2h66A1 ASN 115 H 0.04 0.52 -0.37 -0.55 8.53 8.18 2h66A1 ASN 115 HA 0.02 0.05 0.36 -0.75 4.76 4.44 2h66A1 ASN 115 HB2 0.07 0.13 0.13 -0.04 2.88 3.17 2h66A1 ASN 115 HB3 0.02 -0.08 0.21 -0.04 2.79 2.90 2h66A1 ASN 115 HD21 0.03 0.05 -0.09 -0.04 7.03 6.98 2h66A1 ASN 115 HD22 -0.03 -0.07 -0.06 -0.04 7.74 7.53 2h66A1 VAL 116 H -0.11 0.51 -0.09 -0.55 8.24 8.00 2h66A1 VAL 116 HA -0.06 0.26 0.83 -0.75 4.13 4.41 2h66A1 VAL 116 HB -0.26 -0.10 0.05 -0.04 2.12 1.78 2h66A1 VAL 116 HG13 -0.14 0.07 -0.28 -0.04 0.97 0.58 2h66A1 VAL 116 HG23 -1.07 -0.02 -0.16 -0.04 0.95 -0.35 2h66A1 LEU 117 H -0.04 0.19 -0.14 -0.55 8.37 7.84 2h66A1 LEU 117 HA 0.00 0.09 0.48 -0.75 4.35 4.17 2h66A1 LEU 117 HB2 -0.02 -0.03 -0.34 -0.04 1.64 1.21 2h66A1 LEU 117 HB3 -0.01 -0.00 -0.10 -0.04 1.64 1.48 2h66A1 LEU 117 HG -0.01 -0.01 -0.19 -0.04 1.64 1.39 2h66A1 LEU 117 HD13 -0.01 -0.01 -0.23 -0.04 0.93 0.63 2h66A1 LEU 117 HD23 0.01 0.07 -0.43 -0.04 0.89 0.49 2h66A1 PHE 118 H 0.16 0.71 0.31 -0.55 8.34 8.97 2h66A1 PHE 118 HA -0.02 0.11 0.80 -0.75 4.62 4.76 2h66A1 PHE 118 HB2 -0.02 0.02 -0.02 -0.04 3.15 3.09 2h66A1 PHE 118 HB3 -0.01 0.04 0.10 -0.04 3.06 3.15 2h66A1 PHE 118 HD2 -0.01 0.00 -0.08 -0.04 7.28 7.15 2h66A1 PHE 118 HE2 0.00 0.00 -0.02 -0.04 7.38 7.32 2h66A1 PHE 118 HZ 0.00 -0.00 -0.01 -0.04 7.32 7.27 2h66A1 ASP 119 H -0.52 0.21 0.09 -0.55 8.40 7.63 2h66A1 ASP 119 HA -0.29 0.05 0.30 -0.75 4.63 3.94 2h66A1 ASP 119 HB2 -0.14 0.04 -0.28 -0.04 2.71 2.29 2h66A1 ASP 119 HB3 -0.12 0.05 0.18 -0.04 2.70 2.76 2h66A1 ASP 120 H -0.08 0.07 -0.42 -0.55 8.40 7.43 2h66A1 ASP 120 HA -0.03 -0.02 0.14 -0.75 4.63 3.96 2h66A1 ASP 120 HB2 -0.05 0.15 -0.15 -0.04 2.71 2.62 2h66A1 ASP 120 HB3 -0.03 0.01 0.18 -0.04 2.70 2.83 2h66A1 SER 121 H 0.00 0.34 -0.32 -0.55 8.46 7.93 2h66A1 SER 121 HA 0.00 0.18 0.96 -0.75 4.49 4.88 2h66A1 SER 121 HB2 0.07 0.02 0.11 -0.04 3.95 4.10 2h66A1 SER 121 HB3 0.03 -0.07 0.01 -0.04 3.93 3.86 2h66A1 VAL 122 H 0.08 0.41 0.26 -0.55 8.24 8.44 2h66A1 VAL 122 HA -0.00 0.10 0.88 -0.75 4.13 4.36 2h66A1 VAL 122 HB 0.00 0.09 0.19 -0.04 2.12 2.36 2h66A1 VAL 122 HG13 0.01 -0.02 -0.18 -0.04 0.97 0.73 2h66A1 VAL 122 HG23 0.07 0.01 -0.04 -0.04 0.95 0.95 2h66A1 SER 123 H -0.01 0.09 0.19 -0.55 8.46 8.18 2h66A1 SER 123 HA 0.00 0.13 0.82 -0.75 4.49 4.68 2h66A1 SER 123 HB2 -0.10 0.10 0.03 -0.04 3.95 3.93 2h66A1 SER 123 HB3 0.02 -0.17 -0.01 -0.04 3.93 3.73 2h66A1 LEU 124 H -0.02 0.62 0.25 -0.55 8.37 8.67 2h66A1 LEU 124 HA -0.02 0.08 0.68 -0.75 4.35 4.34 2h66A1 LEU 124 HB2 -0.01 -0.01 -0.03 -0.04 1.64 1.55 2h66A1 LEU 124 HB3 -0.02 0.16 0.14 -0.04 1.64 1.88 2h66A1 LEU 124 HG 0.07 0.02 -0.08 -0.04 1.64 1.61 2h66A1 LEU 124 HD13 0.07 -0.01 -0.12 -0.04 0.93 0.83 2h66A1 LEU 124 HD23 -0.24 -0.01 0.02 -0.04 0.89 0.62 2h66A1 ARG 125 H 0.03 0.31 0.15 -0.55 8.46 8.40 2h66A1 ARG 125 HA 0.10 0.37 0.65 -0.75 4.34 4.70 2h66A1 ARG 125 HB2 0.09 0.04 0.17 -0.04 1.90 2.16 2h66A1 ARG 125 HB3 0.14 -0.03 0.06 -0.04 1.80 1.93 2h66A1 ARG 125 HG2 0.16 0.02 0.09 -0.04 1.67 1.89 2h66A1 ARG 125 HG3 0.10 -0.02 -0.04 -0.04 1.67 1.67 2h66A1 ARG 125 HD2 0.08 0.10 -0.12 -0.04 3.22 3.24 2h66A1 ARG 125 HD3 0.11 -0.09 -0.00 -0.04 3.22 3.19 2h66A1 ALA 126 H -0.00 0.46 0.40 -0.55 8.40 8.71 2h66A1 ALA 126 HA 0.14 0.25 0.95 -0.75 4.34 4.93 2h66A1 ALA 126 HB3 0.04 -0.01 -0.07 -0.04 1.41 1.33 2h66A1 PHE 127 H 0.29 0.53 0.37 -0.55 8.34 8.97 2h66A1 PHE 127 HA 0.17 0.26 0.93 -0.75 4.62 5.24 2h66A1 PHE 127 HB2 0.14 -0.07 0.05 -0.04 3.15 3.23 2h66A1 PHE 127 HB3 0.15 0.02 -0.08 -0.04 3.06 3.11 2h66A1 PHE 127 HD2 0.07 0.00 -0.21 -0.04 7.28 7.10 2h66A1 PHE 127 HE2 -0.09 -0.02 -0.16 -0.04 7.38 7.07 2h66A1 PHE 127 HZ -0.08 -0.05 -0.11 -0.04 7.32 7.05 2h66A1 VAL 128 H 0.19 0.68 0.26 -0.55 8.24 8.82 2h66A1 VAL 128 HA 0.22 0.30 1.15 -0.75 4.13 5.04 2h66A1 VAL 128 HB 0.13 -0.05 0.14 -0.04 2.12 2.30 2h66A1 VAL 128 HG13 0.34 0.00 -0.10 -0.04 0.97 1.17 2h66A1 VAL 128 HG23 0.28 -0.00 -0.19 -0.04 0.95 1.00 2h66A1 LEU 129 H 0.25 0.58 0.30 -0.55 8.37 8.95 2h66A1 LEU 129 HA 0.18 0.31 1.21 -0.75 4.35 5.30 2h66A1 LEU 129 HB2 0.23 -0.02 -0.02 -0.04 1.64 1.79 2h66A1 LEU 129 HB3 0.26 -0.09 0.13 -0.04 1.64 1.90 2h66A1 LEU 129 HG 0.26 -0.01 -0.34 -0.04 1.64 1.50 2h66A1 LEU 129 HD13 0.19 0.05 -0.11 -0.04 0.93 1.02 2h66A1 LEU 129 HD23 0.12 -0.00 -0.13 -0.04 0.89 0.84 2h66A1 ILE 130 H 0.14 0.95 0.40 -0.55 8.25 9.19 2h66A1 ILE 130 HA 0.12 0.12 0.91 -0.75 4.18 4.58 2h66A1 ILE 130 HB 0.08 0.02 0.19 -0.04 1.89 2.14 2h66A1 ILE 130 HG12 0.16 -0.00 -0.19 -0.04 1.49 1.41 2h66A1 ILE 130 HG13 0.18 -0.06 -0.44 -0.04 1.21 0.84 2h66A1 ILE 130 HG23 0.06 0.02 -0.20 -0.04 0.93 0.78 2h66A1 ILE 130 HD13 0.21 0.01 -0.11 -0.04 0.88 0.95 2h66A1 ASP 131 H 0.03 0.51 0.20 -0.55 8.40 8.59 2h66A1 ASP 131 HA -0.52 0.11 0.50 -0.75 4.63 3.97 2h66A1 ASP 131 HB2 -0.02 0.24 0.26 -0.04 2.71 3.16 2h66A1 ASP 131 HB3 -0.09 -0.44 -0.13 -0.04 2.70 1.99 2h66A1 MET 132 H -0.85 0.22 0.13 -0.55 8.47 7.42 2h66A1 MET 132 HA -0.14 0.26 0.47 -0.75 4.52 4.36 2h66A1 MET 132 HB2 -0.22 0.01 0.09 -0.04 2.15 1.99 2h66A1 MET 132 HB3 -0.06 0.02 -0.01 -0.04 2.03 1.94 2h66A1 MET 132 HG2 -0.00 -0.02 -0.23 -0.04 2.63 2.34 2h66A1 MET 132 HG3 -0.11 -0.01 -0.11 -0.04 2.56 2.29 2h66A1 MET 132 HE3 0.26 0.01 0.01 -0.04 2.10 2.33 2h66A1 ASN 133 H -0.10 0.02 -0.34 -0.55 8.53 7.56 2h66A1 ASN 133 HA -0.01 0.23 0.95 -0.75 4.76 5.17 2h66A1 ASN 133 HB2 -0.01 -0.02 0.00 -0.04 2.88 2.81 2h66A1 ASN 133 HB3 0.00 0.05 0.13 -0.04 2.79 2.93 2h66A1 ASN 133 HD21 -0.00 0.03 -0.05 -0.04 7.03 6.97 2h66A1 ASN 133 HD22 -0.00 0.02 0.02 -0.04 7.74 7.74 2h66A1 GLY 134 H -0.03 0.52 -0.35 -0.55 8.43 8.03 2h66A1 GLY 134 HA2 0.05 0.07 0.23 -0.51 4.01 3.85 2h66A1 GLY 134 HA3 0.04 0.09 0.37 -0.51 4.01 4.00 2h66A1 ILE 135 H 0.01 -0.05 -0.17 -0.55 8.25 7.50 2h66A1 ILE 135 HA 0.07 0.39 0.87 -0.75 4.18 4.75 2h66A1 ILE 135 HB 0.03 -0.15 -0.04 -0.04 1.89 1.69 2h66A1 ILE 135 HG12 0.04 0.06 -0.35 -0.04 1.49 1.21 2h66A1 ILE 135 HG13 0.04 0.05 -0.46 -0.04 1.21 0.80 2h66A1 ILE 135 HG23 0.06 0.02 -0.35 -0.04 0.93 0.61 2h66A1 ILE 135 HD13 0.02 -0.01 -0.16 -0.04 0.88 0.69 2h66A1 VAL 136 H 0.13 0.54 0.19 -0.55 8.24 8.54 2h66A1 VAL 136 HA 0.17 0.10 0.52 -0.75 4.13 4.16 2h66A1 VAL 136 HB 0.25 0.03 0.18 -0.04 2.12 2.54 2h66A1 VAL 136 HG13 0.29 -0.02 -0.18 -0.04 0.97 1.02 2h66A1 VAL 136 HG23 0.24 0.02 -0.04 -0.04 0.95 1.13 2h66A1 GLN 137 H 0.17 0.62 0.48 -0.55 8.47 9.19 2h66A1 GLN 137 HA 0.10 0.18 0.87 -0.75 4.36 4.75 2h66A1 GLN 137 HB2 0.16 -0.01 0.05 -0.04 2.15 2.31 2h66A1 GLN 137 HB3 0.11 -0.01 0.08 -0.04 2.02 2.16 2h66A1 GLN 137 HG2 0.10 0.16 -0.02 -0.04 2.40 2.60 2h66A1 GLN 137 HG3 0.13 -0.03 -0.01 -0.04 2.39 2.44 2h66A1 GLN 137 HE21 0.05 0.02 -0.00 -0.04 6.97 6.99 2h66A1 GLN 137 HE22 0.06 -0.02 0.05 -0.04 7.69 7.74 2h66A1 HIS 138 H 0.21 0.24 0.22 -0.55 8.41 8.54 2h66A1 HIS 138 HA 0.07 0.15 0.73 -0.75 4.63 4.82 2h66A1 HIS 138 HB2 0.07 0.13 -0.22 -0.04 3.26 3.20 2h66A1 HIS 138 HB3 0.10 -0.10 0.02 -0.04 3.20 3.18 2h66A1 HIS 138 HD2 0.12 -0.08 -0.27 -0.04 6.97 6.69 2h66A1 HIS 138 HE1 0.02 -0.00 -0.09 -0.04 7.75 7.63 2h66A1 LEU 139 H -0.32 0.29 0.16 -0.55 8.37 7.95 2h66A1 LEU 139 HA -0.02 0.32 1.01 -0.75 4.35 4.91 2h66A1 LEU 139 HB2 0.06 0.00 -0.07 -0.04 1.64 1.59 2h66A1 LEU 139 HB3 -0.07 -0.03 0.07 -0.04 1.64 1.57 2h66A1 LEU 139 HG -0.02 -0.05 -0.35 -0.04 1.64 1.18 2h66A1 LEU 139 HD13 0.14 0.03 -0.04 -0.04 0.93 1.02 2h66A1 LEU 139 HD23 -0.12 0.00 -0.05 -0.04 0.89 0.68 2h66A1 LEU 140 H 0.03 0.60 0.34 -0.55 8.37 8.80 2h66A1 LEU 140 HA -0.03 0.18 0.88 -0.75 4.35 4.62 2h66A1 LEU 140 HB2 0.01 0.02 -0.07 -0.04 1.64 1.55 2h66A1 LEU 140 HB3 0.25 -0.10 0.11 -0.04 1.64 1.86 2h66A1 LEU 140 HG 0.06 0.05 0.01 -0.04 1.64 1.72 2h66A1 LEU 140 HD13 0.06 -0.00 -0.07 -0.04 0.93 0.87 2h66A1 LEU 140 HD23 0.20 -0.00 -0.40 -0.04 0.89 0.65 2h66A1 VAL 141 H 0.03 0.24 0.13 -0.55 8.24 8.10 2h66A1 VAL 141 HA 0.07 0.29 1.06 -0.75 4.13 4.80 2h66A1 VAL 141 HB 0.02 -0.04 0.07 -0.04 2.12 2.12 2h66A1 VAL 141 HG13 0.01 0.02 -0.09 -0.04 0.97 0.87 2h66A1 VAL 141 HG23 0.01 0.02 -0.20 -0.04 0.95 0.74 2h66A1 ASN 142 H 0.08 0.79 0.29 -0.55 8.53 9.14 2h66A1 ASN 142 HA 0.03 0.13 0.98 -0.75 4.76 5.15 2h66A1 ASN 142 HB2 0.10 0.02 0.15 -0.04 2.88 3.10 2h66A1 ASN 142 HB3 0.05 0.05 0.08 -0.04 2.79 2.92 2h66A1 ASN 142 HD21 0.09 0.03 -0.10 -0.04 7.03 7.01 2h66A1 ASN 142 HD22 0.16 -0.04 -0.09 -0.04 7.74 7.73 2h66A1 ASN 143 H -0.00 0.15 0.16 -0.55 8.53 8.30 2h66A1 ASN 143 HA -0.08 0.17 0.83 -0.75 4.76 4.92 2h66A1 ASN 143 HB2 -0.04 0.03 0.08 -0.04 2.88 2.91 2h66A1 ASN 143 HB3 -0.04 -0.01 0.10 -0.04 2.79 2.80 2h66A1 ASN 143 HD21 -0.12 0.00 -0.01 -0.04 7.03 6.86 2h66A1 ASN 143 HD22 -0.05 -0.01 -0.05 -0.04 7.74 7.59 2h66A1 LEU 144 H -0.00 0.05 -0.00 -0.55 8.37 7.87 2h66A1 LEU 144 HA -0.02 0.26 0.92 -0.75 4.35 4.75 2h66A1 LEU 144 HB2 0.01 -0.02 -0.05 -0.04 1.64 1.54 2h66A1 LEU 144 HB3 0.00 0.02 0.01 -0.04 1.64 1.63 2h66A1 LEU 144 HG -0.02 -0.13 -0.19 -0.04 1.64 1.26 2h66A1 LEU 144 HD13 -0.00 0.02 -0.03 -0.04 0.93 0.87 2h66A1 LEU 144 HD23 -0.03 0.06 -0.08 -0.04 0.89 0.80 2h66A1 ALA 145 H 0.02 0.20 0.09 -0.55 8.40 8.16 2h66A1 ALA 145 HA 0.06 0.08 0.65 -0.75 4.34 4.37 2h66A1 ALA 145 HB3 0.05 0.02 0.13 -0.04 1.41 1.57 2h66A1 ILE 146 H 0.05 0.31 0.12 -0.55 8.25 8.18 2h66A1 ILE 146 HA 0.03 0.19 0.86 -0.75 4.18 4.51 2h66A1 ILE 146 HB 0.02 0.01 0.11 -0.04 1.89 1.98 2h66A1 ILE 146 HG12 0.04 -0.03 0.02 -0.04 1.49 1.49 2h66A1 ILE 146 HG13 0.02 0.16 -0.13 -0.04 1.21 1.22 2h66A1 ILE 146 HG23 0.02 -0.01 -0.22 -0.04 0.93 0.68 2h66A1 ILE 146 HD13 0.02 -0.02 -0.00 -0.04 0.88 0.84 2h66A1 GLY 147 H 0.06 -0.06 0.04 -0.55 8.43 7.93 2h66A1 GLY 147 HA2 0.08 0.01 0.29 -0.51 4.01 3.88 2h66A1 GLY 147 HA3 0.03 0.08 0.31 -0.51 4.01 3.92 2h66A1 ARG 148 H 0.01 0.21 0.06 -0.55 8.46 8.19 2h66A1 ARG 148 HA -0.05 0.10 0.56 -0.75 4.34 4.20 2h66A1 ARG 148 HB2 -0.06 0.03 -0.36 -0.04 1.90 1.47 2h66A1 ARG 148 HB3 -0.32 -0.00 -0.06 -0.04 1.80 1.38 2h66A1 ARG 148 HG2 -0.15 -0.07 -0.01 -0.04 1.67 1.40 2h66A1 ARG 148 HG3 -0.11 0.06 -0.01 -0.04 1.67 1.56 2h66A1 ARG 148 HD2 -0.82 0.00 -0.14 -0.04 3.22 2.22 2h66A1 ARG 148 HD3 -0.50 -0.00 -0.18 -0.04 3.22 2.50 2h66A1 SER 149 H -0.06 0.17 0.10 -0.55 8.46 8.12 2h66A1 SER 149 HA -0.05 0.12 0.44 -0.75 4.49 4.24 2h66A1 SER 149 HB2 -0.06 -0.15 0.14 -0.04 3.95 3.83 2h66A1 SER 149 HB3 -0.05 -0.07 0.11 -0.04 3.93 3.87 2h66A1 VAL 150 H -0.05 0.22 0.18 -0.55 8.24 8.04 2h66A1 VAL 150 HA -0.04 0.14 0.44 -0.75 4.13 3.91 2h66A1 VAL 150 HB -0.05 0.08 0.11 -0.04 2.12 2.22 2h66A1 VAL 150 HG13 -0.02 0.05 -0.01 -0.04 0.97 0.95 2h66A1 VAL 150 HG23 -0.09 -0.00 -0.10 -0.04 0.95 0.72 2h66A1 ASP 151 H -0.07 0.00 -0.34 -0.55 8.40 7.45 2h66A1 ASP 151 HA -0.10 0.17 0.52 -0.75 4.63 4.46 2h66A1 ASP 151 HB2 -0.06 -0.06 0.07 -0.04 2.71 2.62 2h66A1 ASP 151 HB3 -0.06 0.08 -0.06 -0.04 2.70 2.62 2h66A1 GLU 152 H -0.08 0.05 -0.11 -0.55 8.60 7.91 2h66A1 GLU 152 HA -0.07 0.10 0.47 -0.75 4.29 4.04 2h66A1 GLU 152 HB2 -0.10 0.09 0.03 -0.04 2.09 2.07 2h66A1 GLU 152 HB3 -0.07 0.06 0.04 -0.04 1.99 1.98 2h66A1 GLU 152 HG2 -0.05 0.06 0.04 -0.04 2.34 2.35 2h66A1 GLU 152 HG3 -0.06 -0.15 0.09 -0.04 2.34 2.18 2h66A1 ILE 153 H -0.11 0.31 -0.44 -0.55 8.25 7.46 2h66A1 ILE 153 HA -0.12 0.05 0.27 -0.75 4.18 3.63 2h66A1 ILE 153 HB -0.03 0.06 0.05 -0.04 1.89 1.93 2h66A1 ILE 153 HG12 -0.33 -0.02 -0.11 -0.04 1.49 0.99 2h66A1 ILE 153 HG13 -0.26 -0.02 -0.12 -0.04 1.21 0.76 2h66A1 ILE 153 HG23 0.14 0.00 -0.20 -0.04 0.93 0.83 2h66A1 ILE 153 HD13 -0.30 -0.01 -0.16 -0.04 0.88 0.37 2h66A1 LEU 154 H -0.11 0.50 -0.10 -0.55 8.37 8.10 2h66A1 LEU 154 HA -0.13 0.05 0.46 -0.75 4.35 3.98 2h66A1 LEU 154 HB2 -0.15 0.08 0.23 -0.04 1.64 1.76 2h66A1 LEU 154 HB3 -0.14 -0.01 -0.04 -0.04 1.64 1.41 2h66A1 LEU 154 HG -0.25 0.01 -0.00 -0.04 1.64 1.36 2h66A1 LEU 154 HD13 -0.62 -0.01 -0.08 -0.04 0.93 0.18 2h66A1 LEU 154 HD23 -0.25 0.02 -0.04 -0.04 0.89 0.58 2h66A1 ARG 155 H -0.09 0.59 -0.23 -0.55 8.46 8.18 2h66A1 ARG 155 HA -0.07 0.01 0.42 -0.75 4.34 3.95 2h66A1 ARG 155 HB2 -0.07 0.06 0.12 -0.04 1.90 1.98 2h66A1 ARG 155 HB3 -0.07 0.17 0.16 -0.04 1.80 2.02 2h66A1 ARG 155 HG2 -0.05 -0.03 -0.12 -0.04 1.67 1.43 2h66A1 ARG 155 HG3 -0.05 -0.02 0.01 -0.04 1.67 1.57 2h66A1 ARG 155 HD2 -0.04 -0.00 -0.03 -0.04 3.22 3.11 2h66A1 ARG 155 HD3 -0.05 -0.04 -0.01 -0.04 3.22 3.08 2h66A1 ILE 156 H -0.10 0.44 -0.20 -0.55 8.25 7.84 2h66A1 ILE 156 HA -0.11 0.01 0.31 -0.75 4.18 3.65 2h66A1 ILE 156 HB -0.21 0.12 0.12 -0.04 1.89 1.88 2h66A1 ILE 156 HG12 -0.13 0.14 0.09 -0.04 1.49 1.54 2h66A1 ILE 156 HG13 -0.25 -0.05 -0.04 -0.04 1.21 0.83 2h66A1 ILE 156 HG23 -0.54 -0.01 -0.15 -0.04 0.93 0.18 2h66A1 ILE 156 HD13 -0.16 -0.01 -0.02 -0.04 0.88 0.64 2h66A1 ILE 157 H -0.07 0.51 -0.13 -0.55 8.25 8.01 2h66A1 ILE 157 HA -0.04 -0.01 0.29 -0.75 4.18 3.66 2h66A1 ILE 157 HB -0.05 0.07 0.13 -0.04 1.89 2.00 2h66A1 ILE 157 HG12 0.04 -0.03 -0.05 -0.04 1.49 1.40 2h66A1 ILE 157 HG13 0.01 -0.01 0.01 -0.04 1.21 1.17 2h66A1 ILE 157 HG23 -0.13 -0.00 -0.14 -0.04 0.93 0.62 2h66A1 ILE 157 HD13 0.18 -0.01 -0.14 -0.04 0.88 0.87 2h66A1 ASP 158 H -0.06 0.63 -0.17 -0.55 8.40 8.25 2h66A1 ASP 158 HA -0.03 0.03 0.51 -0.75 4.63 4.39 2h66A1 ASP 158 HB2 -0.04 0.14 0.18 -0.04 2.71 2.95 2h66A1 ASP 158 HB3 -0.01 -0.05 -0.01 -0.04 2.70 2.59 2h66A1 ALA 159 H -0.03 0.71 0.01 -0.55 8.40 8.55 2h66A1 ALA 159 HA 0.03 -0.02 0.49 -0.75 4.34 4.09 2h66A1 ALA 159 HB3 -0.01 0.01 0.11 -0.04 1.41 1.47 2h66A1 ILE 160 H 0.01 0.61 -0.22 -0.55 8.25 8.10 2h66A1 ILE 160 HA 0.09 0.02 0.46 -0.75 4.18 4.00 2h66A1 ILE 160 HB 0.03 0.10 0.10 -0.04 1.89 2.08 2h66A1 ILE 160 HG12 0.04 -0.00 -0.02 -0.04 1.49 1.47 2h66A1 ILE 160 HG13 0.00 -0.02 -0.05 -0.04 1.21 1.10 2h66A1 ILE 160 HG23 0.17 -0.02 -0.19 -0.04 0.93 0.85 2h66A1 ILE 160 HD13 0.03 -0.02 -0.17 -0.04 0.88 0.69 2h66A1 GLN 161 H 0.01 0.70 0.02 -0.55 8.47 8.65 2h66A1 GLN 161 HA 0.08 0.03 0.61 -0.75 4.36 4.33 2h66A1 GLN 161 HB2 -0.07 0.11 0.19 -0.04 2.15 2.35 2h66A1 GLN 161 HB3 -0.03 -0.03 0.04 -0.04 2.02 1.96 2h66A1 GLN 161 HG2 -0.24 -0.05 0.07 -0.04 2.40 2.14 2h66A1 GLN 161 HG3 -0.48 -0.06 0.02 -0.04 2.39 1.83 2h66A1 GLN 161 HE21 -0.33 0.71 0.16 -0.04 6.97 7.46 2h66A1 GLN 161 HE22 -0.96 -0.15 0.05 -0.04 7.69 6.59 2h66A1 HIS 162 H 0.18 0.65 -0.14 -0.55 8.41 8.55 2h66A1 HIS 162 HA 0.16 0.03 0.55 -0.75 4.63 4.61 2h66A1 HIS 162 HB2 0.09 0.07 0.12 -0.04 3.26 3.50 2h66A1 HIS 162 HB3 0.10 0.07 0.20 -0.04 3.20 3.53 2h66A1 HIS 162 HD2 0.13 -0.02 -0.26 -0.04 6.97 6.78 2h66A1 HIS 162 HE1 -0.23 -0.01 -0.01 -0.04 7.75 7.47 2h66A1 HIS 163 H 0.34 0.64 0.02 -0.55 8.41 8.86 2h66A1 HIS 163 HA 0.20 -0.12 0.21 -0.75 4.63 4.16 2h66A1 HIS 163 HB2 0.12 0.07 0.15 -0.04 3.26 3.56 2h66A1 HIS 163 HB3 0.10 0.11 0.07 -0.04 3.20 3.44 2h66A1 HIS 163 HD2 0.08 0.02 0.01 -0.04 6.97 7.03 2h66A1 HIS 163 HE1 0.05 0.06 -0.08 -0.04 7.75 7.73 2h66A1 GLU 164 H 0.15 0.27 -0.77 -0.55 8.60 7.71 2h66A1 GLU 164 HA 0.12 0.06 0.60 -0.75 4.29 4.32 2h66A1 GLU 164 HB2 0.14 0.18 0.15 -0.04 2.09 2.52 2h66A1 GLU 164 HB3 0.08 -0.02 0.01 -0.04 1.99 2.02 2h66A1 GLU 164 HG2 0.09 -0.03 0.08 -0.04 2.34 2.45 2h66A1 GLU 164 HG3 0.14 -0.01 0.00 -0.04 2.34 2.43 2h66A1 LYS 165 H -0.11 0.49 -0.06 -0.55 8.42 8.18 2h66A1 LYS 165 HA -0.21 0.12 0.82 -0.75 4.32 4.30 2h66A1 LYS 165 HB2 -0.36 0.10 0.20 -0.04 1.87 1.77 2h66A1 LYS 165 HB3 -1.27 -0.04 0.13 -0.04 1.79 0.58 2h66A1 LYS 165 HG2 -0.52 -0.03 0.02 -0.04 1.46 0.89 2h66A1 LYS 165 HG3 -0.24 0.00 0.08 -0.04 1.46 1.26 2h66A1 LYS 165 HD2 -0.45 -0.02 0.03 -0.04 1.69 1.21 2h66A1 LYS 165 HD3 -0.21 -0.04 0.02 -0.04 1.68 1.42 2h66A1 LYS 165 HE2 -0.08 -0.03 0.02 -0.04 2.99 2.86 2h66A1 LYS 165 HE3 -0.14 0.08 0.04 -0.04 2.99 2.94 2h66A1 TYR 166 H -0.23 0.47 0.06 -0.55 8.29 8.04 2h66A1 TYR 166 HA -0.09 0.17 0.50 -0.75 4.56 4.39 2h66A1 TYR 166 HB2 -0.18 -0.04 0.04 -0.04 3.06 2.84 2h66A1 TYR 166 HB3 -0.08 -0.00 0.11 -0.04 2.98 2.96 2h66A1 TYR 166 HD2 -0.64 0.03 -0.01 -0.04 7.15 6.49 2h66A1 TYR 166 HE2 -0.19 -0.01 0.00 -0.04 6.85 6.61 2h66A1 GLY 167 H -0.09 0.25 -0.69 -0.55 8.43 7.36 2h66A1 GLY 167 HA2 -0.45 0.29 0.32 -0.51 4.01 3.66 2h66A1 GLY 167 HA3 -0.12 -0.01 0.33 -0.51 4.01 3.70 2h66A1 ASP 168 H -0.45 0.01 -0.12 -0.55 8.40 7.29 2h66A1 ASP 168 HA -0.04 0.17 0.22 -0.75 4.63 4.22 2h66A1 ASP 168 HB2 0.04 0.02 0.05 -0.04 2.71 2.78 2h66A1 ASP 168 HB3 0.06 -0.04 0.08 -0.04 2.70 2.76