============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 2 1.000 133.163 25.670 -64.490 -99.200 -91.000 PHE 3 1.000 130.759 33.936 -63.304 -99.200 -91.000 HIS 14 0.900 130.618 22.897 -26.721 -99.200 -91.000 PHE 17 1.000 134.491 20.400 -31.369 -99.200 -91.000 PHE 18 1.000 136.089 28.392 -27.796 -99.200 -91.000 TYR 25 0.840 135.913 20.892 -35.672 -99.200 -91.000 PHE 42 1.000 126.592 33.790 -52.941 -99.200 -91.000 TYR 44 0.840 125.349 23.008 -58.990 -99.200 -91.000 TYR 51 0.840 143.232 24.022 -45.664 -99.200 -91.000 PHE 70 1.000 136.374 31.738 -34.066 -99.200 -91.000 TYR 74 0.840 134.420 30.645 -48.597 -99.200 -91.000 PHE 79 1.000 128.493 25.463 -63.805 -99.200 -91.000 PHE 82 1.000 125.075 33.736 -65.443 -99.200 -91.000 HIS 97 0.900 108.008 12.440 -72.552 -99.200 -91.000 PHE 99 1.000 119.644 15.850 -76.348 -99.200 -91.000 PHE 109 1.000 114.464 16.989 -70.887 -99.200 -91.000 HIS 113 0.900 107.679 18.110 -79.924 -99.200 -91.000 PHE 121 1.000 112.402 7.973 -78.222 -99.200 -91.000 TYR 130 0.840 115.597 11.864 -79.067 -99.200 -91.000 HIS 158 0.900 118.256 19.341 -62.212 -99.200 -91.000 TYR 167 0.840 127.448 28.712 -86.804 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2r92G1 MET 1 HA -0.17 -0.04 0.13 -0.75 4.52 3.69 2r92G1 MET 1 HB2 0.08 -0.01 -0.00 -0.04 2.15 2.18 2r92G1 MET 1 HB3 0.25 -0.04 -0.03 -0.04 2.03 2.17 2r92G1 MET 1 HG2 0.28 0.01 -0.10 -0.04 2.63 2.78 2r92G1 MET 1 HG3 0.30 -0.03 -0.15 -0.04 2.56 2.63 2r92G1 MET 1 HE3 0.44 -0.06 -0.34 -0.04 2.10 2.10 2r92G1 PHE 2 H 0.31 0.09 0.09 -0.55 8.34 8.27 2r92G1 PHE 2 HA 0.31 0.05 0.67 -0.75 4.62 4.89 2r92G1 PHE 2 HB2 -0.02 -0.05 0.14 -0.04 3.15 3.17 2r92G1 PHE 2 HB3 0.05 0.04 0.01 -0.04 3.06 3.12 2r92G1 PHE 2 HD2 0.03 -0.02 -0.03 -0.04 7.28 7.22 2r92G1 PHE 2 HE2 -0.25 -0.02 -0.05 -0.04 7.38 7.02 2r92G1 PHE 2 HZ -0.50 -0.04 -0.01 -0.04 7.32 6.73 2r92G1 PHE 3 H 0.42 0.74 0.32 -0.55 8.34 9.26 2r92G1 PHE 3 HA 0.12 0.26 1.04 -0.75 4.62 5.28 2r92G1 PHE 3 HB2 0.09 -0.08 -0.09 -0.04 3.15 3.04 2r92G1 PHE 3 HB3 0.08 -0.07 -0.04 -0.04 3.06 2.99 2r92G1 PHE 3 HD2 0.10 -0.08 -0.05 -0.04 7.28 7.21 2r92G1 PHE 3 HE2 0.17 -0.02 -0.03 -0.04 7.38 7.46 2r92G1 PHE 3 HZ -0.02 -0.04 -0.06 -0.04 7.32 7.16 2r92G1 ILE 4 H 0.23 0.26 0.08 -0.55 8.25 8.26 2r92G1 ILE 4 HA 0.11 0.32 1.00 -0.75 4.18 4.85 2r92G1 ILE 4 HB 0.08 -0.02 0.14 -0.04 1.89 2.05 2r92G1 ILE 4 HG12 0.08 0.01 -0.07 -0.04 1.49 1.47 2r92G1 ILE 4 HG13 0.10 0.02 -0.28 -0.04 1.21 1.01 2r92G1 ILE 4 HG23 0.04 -0.02 -0.13 -0.04 0.93 0.78 2r92G1 ILE 4 HD13 0.04 -0.01 -0.07 -0.04 0.88 0.80 2r92G1 LYS 5 H 0.06 0.35 0.18 -0.55 8.42 8.46 2r92G1 LYS 5 HA 0.06 0.16 0.87 -0.75 4.32 4.65 2r92G1 LYS 5 HB2 0.09 -0.01 -0.08 -0.04 1.87 1.83 2r92G1 LYS 5 HB3 0.07 -0.02 -0.04 -0.04 1.79 1.76 2r92G1 LYS 5 HG2 0.17 0.03 -0.07 -0.04 1.46 1.55 2r92G1 LYS 5 HG3 0.10 0.09 -0.14 -0.04 1.46 1.47 2r92G1 LYS 5 HD2 0.06 -0.06 0.12 -0.04 1.69 1.77 2r92G1 LYS 5 HD3 0.03 0.00 -0.01 -0.04 1.68 1.67 2r92G1 LYS 5 HE2 0.01 0.02 0.00 -0.04 2.99 2.99 2r92G1 LYS 5 HE3 0.09 0.06 0.03 -0.04 2.99 3.13 2r92G1 ASP 6 H 0.03 0.18 0.16 -0.55 8.40 8.22 2r92G1 ASP 6 HA -0.07 0.10 0.91 -0.75 4.63 4.81 2r92G1 ASP 6 HB2 0.02 -0.04 0.22 -0.04 2.71 2.87 2r92G1 ASP 6 HB3 0.02 0.09 0.06 -0.04 2.70 2.82 2r92G1 LEU 7 H -0.25 0.19 0.02 -0.55 8.37 7.78 2r92G1 LEU 7 HA 0.02 0.24 0.94 -0.75 4.35 4.80 2r92G1 LEU 7 HB2 -0.33 -0.04 -0.17 -0.04 1.64 1.06 2r92G1 LEU 7 HB3 -0.01 -0.00 -0.00 -0.04 1.64 1.58 2r92G1 LEU 7 HG -0.17 -0.06 -0.60 -0.04 1.64 0.76 2r92G1 LEU 7 HD13 -0.24 -0.00 -0.20 -0.04 0.93 0.45 2r92G1 LEU 7 HD23 -0.08 0.07 -0.19 -0.04 0.89 0.64 2r92G1 SER 8 H 0.10 0.27 0.12 -0.55 8.46 8.40 2r92G1 SER 8 HA 0.14 0.19 0.73 -0.75 4.49 4.80 2r92G1 SER 8 HB2 0.04 0.04 -0.22 -0.04 3.95 3.76 2r92G1 SER 8 HB3 0.08 0.05 -0.14 -0.04 3.93 3.88 2r92G1 LEU 9 H -0.12 0.68 0.18 -0.55 8.37 8.56 2r92G1 LEU 9 HA -0.06 0.17 0.92 -0.75 4.35 4.63 2r92G1 LEU 9 HB2 -0.21 -0.01 -0.13 -0.04 1.64 1.25 2r92G1 LEU 9 HB3 -0.28 0.02 0.01 -0.04 1.64 1.34 2r92G1 LEU 9 HG -0.09 0.01 -0.35 -0.04 1.64 1.17 2r92G1 LEU 9 HD13 -0.06 -0.05 0.08 -0.04 0.93 0.86 2r92G1 LEU 9 HD23 -0.14 -0.00 -0.11 -0.04 0.89 0.61 2r92G1 ASN 10 H -0.03 0.20 0.14 -0.55 8.53 8.29 2r92G1 ASN 10 HA 0.02 0.35 1.15 -0.75 4.76 5.52 2r92G1 ASN 10 HB2 -0.00 -0.04 0.09 -0.04 2.88 2.89 2r92G1 ASN 10 HB3 0.01 -0.00 -0.13 -0.04 2.79 2.63 2r92G1 ASN 10 HD21 0.01 0.00 -0.11 -0.04 7.03 6.89 2r92G1 ASN 10 HD22 0.00 -0.01 -0.08 -0.04 7.74 7.62 2r92G1 ILE 11 H 0.08 0.56 0.30 -0.55 8.25 8.64 2r92G1 ILE 11 HA 0.04 0.21 1.02 -0.75 4.18 4.70 2r92G1 ILE 11 HB 0.07 -0.06 -0.02 -0.04 1.89 1.84 2r92G1 ILE 11 HG12 -0.03 0.08 -0.34 -0.04 1.49 1.16 2r92G1 ILE 11 HG13 -0.02 -0.02 -0.24 -0.04 1.21 0.88 2r92G1 ILE 11 HG23 0.07 0.03 -0.10 -0.04 0.93 0.89 2r92G1 ILE 11 HD13 -0.07 -0.01 -0.16 -0.04 0.88 0.60 2r92G1 THR 12 H 0.06 0.21 0.12 -0.55 8.28 8.13 2r92G1 THR 12 HA 0.10 0.30 0.94 -0.75 4.39 4.97 2r92G1 THR 12 HB 0.04 -0.02 0.13 -0.04 4.32 4.43 2r92G1 THR 12 HG23 0.04 -0.01 -0.23 -0.04 1.22 0.98 2r92G1 LEU 13 H 0.19 0.78 0.30 -0.55 8.37 9.09 2r92G1 LEU 13 HA 0.09 0.11 0.80 -0.75 4.35 4.59 2r92G1 LEU 13 HB2 0.24 0.02 -0.03 -0.04 1.64 1.83 2r92G1 LEU 13 HB3 0.17 -0.03 -0.05 -0.04 1.64 1.69 2r92G1 LEU 13 HG 0.12 0.00 -0.09 -0.04 1.64 1.64 2r92G1 LEU 13 HD13 -0.17 0.00 -0.15 -0.04 0.93 0.57 2r92G1 LEU 13 HD23 0.02 0.01 -0.05 -0.04 0.89 0.83 2r92G1 HIS 14 H -0.12 0.14 0.14 -0.55 8.41 8.03 2r92G1 HIS 14 HA -0.06 0.10 0.54 -0.75 4.63 4.46 2r92G1 HIS 14 HB2 -0.24 0.09 0.11 -0.04 3.26 3.18 2r92G1 HIS 14 HB3 -0.66 -0.03 0.14 -0.04 3.20 2.61 2r92G1 HIS 14 HD2 -0.30 0.05 0.02 -0.04 6.97 6.70 2r92G1 HIS 14 HE1 -0.10 0.04 0.04 -0.04 7.75 7.69 2r92G1 PRO 15 HA -0.99 0.14 0.31 -0.51 4.44 3.39 2r92G1 PRO 15 HB2 -0.48 -0.00 0.01 -0.04 2.28 1.77 2r92G1 PRO 15 HB3 -0.63 0.11 0.04 -0.04 2.02 1.50 2r92G1 PRO 15 HG2 -0.27 -0.05 0.03 -0.04 2.03 1.71 2r92G1 PRO 15 HG3 -0.60 0.29 -0.26 -0.04 2.03 1.42 2r92G1 PRO 15 HD2 0.02 0.07 0.17 -0.04 3.68 3.90 2r92G1 PRO 15 HD3 0.02 0.11 0.05 -0.04 3.65 3.80 2r92G1 SER 16 H -1.45 0.02 -0.44 -0.55 8.46 6.04 2r92G1 SER 16 HA -0.15 0.07 0.30 -0.75 4.49 3.96 2r92G1 SER 16 HB2 -0.13 0.01 0.06 -0.04 3.95 3.85 2r92G1 SER 16 HB3 -0.47 -0.08 0.04 -0.04 3.93 3.38 2r92G1 PHE 17 H -0.25 0.16 -0.20 -0.55 8.34 7.49 2r92G1 PHE 17 HA -0.06 0.08 0.38 -0.75 4.62 4.26 2r92G1 PHE 17 HB2 -0.18 0.04 0.01 -0.04 3.15 2.98 2r92G1 PHE 17 HB3 -0.30 -0.02 0.16 -0.04 3.06 2.86 2r92G1 PHE 17 HD2 -0.57 -0.02 -0.14 -0.04 7.28 6.51 2r92G1 PHE 17 HE2 -0.15 0.03 -0.01 -0.04 7.38 7.21 2r92G1 PHE 17 HZ -0.02 0.03 0.01 -0.04 7.32 7.29 2r92G1 PHE 18 H 0.33 0.81 -0.72 -0.55 8.34 8.21 2r92G1 PHE 18 HA 0.05 -0.00 0.42 -0.75 4.62 4.32 2r92G1 PHE 18 HB2 -0.04 0.28 0.20 -0.04 3.15 3.55 2r92G1 PHE 18 HB3 0.00 -0.04 0.25 -0.04 3.06 3.23 2r92G1 PHE 18 HD2 -0.03 0.05 -0.08 -0.04 7.28 7.18 2r92G1 PHE 18 HE2 -0.00 0.02 -0.37 -0.04 7.38 6.99 2r92G1 PHE 18 HZ 0.00 -0.01 -0.05 -0.04 7.32 7.21 2r92G1 GLY 19 H 0.08 0.51 -0.50 -0.55 8.43 7.97 2r92G1 GLY 19 HA2 0.07 0.17 0.52 -0.51 4.01 4.26 2r92G1 GLY 19 HA3 0.05 -0.02 0.27 -0.51 4.01 3.79 2r92G1 PRO 20 HA 0.01 0.17 0.66 -0.51 4.44 4.77 2r92G1 PRO 20 HB2 0.01 0.03 0.02 -0.04 2.28 2.30 2r92G1 PRO 20 HB3 0.02 0.07 0.07 -0.04 2.02 2.14 2r92G1 PRO 20 HG2 0.01 -0.12 0.17 -0.04 2.03 2.04 2r92G1 PRO 20 HG3 0.01 0.10 0.09 -0.04 2.03 2.19 2r92G1 PRO 20 HD2 0.02 0.12 0.16 -0.04 3.68 3.94 2r92G1 PRO 20 HD3 0.03 0.19 0.16 -0.04 3.65 3.99 2r92G1 ARG 21 H 0.01 0.22 0.03 -0.55 8.46 8.17 2r92G1 ARG 21 HA 0.00 0.12 0.82 -0.75 4.34 4.53 2r92G1 ARG 21 HB2 0.01 0.04 0.20 -0.04 1.90 2.10 2r92G1 ARG 21 HB3 0.01 -0.03 0.16 -0.04 1.80 1.90 2r92G1 ARG 21 HG2 0.01 0.01 -0.06 -0.04 1.67 1.58 2r92G1 ARG 21 HG3 0.01 0.04 0.03 -0.04 1.67 1.71 2r92G1 ARG 21 HD2 0.01 0.01 0.02 -0.04 3.22 3.22 2r92G1 ARG 21 HD3 0.01 -0.08 0.11 -0.04 3.22 3.21 2r92G1 MET 22 H -0.02 0.33 -0.24 -0.55 8.47 8.00 2r92G1 MET 22 HA 0.01 0.20 0.69 -0.75 4.52 4.66 2r92G1 MET 22 HB2 -0.06 0.12 -0.16 -0.04 2.15 2.01 2r92G1 MET 22 HB3 -0.09 -0.03 0.02 -0.04 2.03 1.90 2r92G1 MET 22 HG2 -0.23 -0.09 -0.27 -0.04 2.63 2.01 2r92G1 MET 22 HG3 -0.16 0.10 -0.06 -0.04 2.56 2.40 2r92G1 MET 22 HE3 -0.60 0.03 -0.11 -0.04 2.10 1.38 2r92G1 LYS 23 H -0.06 0.19 0.10 -0.55 8.42 8.09 2r92G1 LYS 23 HA -0.15 0.09 0.33 -0.75 4.32 3.84 2r92G1 LYS 23 HB2 -0.05 0.06 0.16 -0.04 1.87 2.00 2r92G1 LYS 23 HB3 -0.03 -0.06 0.10 -0.04 1.79 1.77 2r92G1 LYS 23 HG2 -0.04 0.03 -0.11 -0.04 1.46 1.29 2r92G1 LYS 23 HG3 -0.08 0.01 0.06 -0.04 1.46 1.40 2r92G1 LYS 23 HD2 -0.02 -0.01 0.05 -0.04 1.69 1.67 2r92G1 LYS 23 HD3 -0.00 -0.01 0.02 -0.04 1.68 1.64 2r92G1 LYS 23 HE2 -0.01 0.07 0.03 -0.04 2.99 3.03 2r92G1 LYS 23 HE3 -0.03 -0.00 0.05 -0.04 2.99 2.96 2r92G1 GLN 24 H -0.01 -0.01 -0.44 -0.55 8.47 7.47 2r92G1 GLN 24 HA 0.02 0.07 0.27 -0.75 4.36 3.97 2r92G1 GLN 24 HB2 0.02 0.01 0.02 -0.04 2.15 2.15 2r92G1 GLN 24 HB3 0.02 -0.04 -0.16 -0.04 2.02 1.80 2r92G1 GLN 24 HG2 0.01 0.02 -0.05 -0.04 2.40 2.34 2r92G1 GLN 24 HG3 0.00 0.03 -0.33 -0.04 2.39 2.06 2r92G1 GLN 24 HE21 0.02 0.01 -0.03 -0.04 6.97 6.93 2r92G1 GLN 24 HE22 0.01 0.01 -0.07 -0.04 7.69 7.59 2r92G1 TYR 25 H 0.09 0.17 -0.29 -0.55 8.29 7.71 2r92G1 TYR 25 HA -0.06 -0.00 0.31 -0.75 4.56 4.06 2r92G1 TYR 25 HB2 -0.09 0.06 0.17 -0.04 3.06 3.16 2r92G1 TYR 25 HB3 -0.03 0.04 0.13 -0.04 2.98 3.08 2r92G1 TYR 25 HD2 -0.09 0.02 -0.19 -0.04 7.15 6.85 2r92G1 TYR 25 HE2 -0.05 0.01 -0.02 -0.04 6.85 6.75 2r92G1 LEU 26 H 0.02 0.70 -0.20 -0.55 8.37 8.35 2r92G1 LEU 26 HA 0.03 -0.03 0.31 -0.75 4.35 3.91 2r92G1 LEU 26 HB2 -0.18 0.16 0.12 -0.04 1.64 1.70 2r92G1 LEU 26 HB3 -0.20 -0.00 -0.06 -0.04 1.64 1.34 2r92G1 LEU 26 HG -0.35 -0.01 -0.11 -0.04 1.64 1.13 2r92G1 LEU 26 HD13 -0.93 -0.01 -0.09 -0.04 0.93 -0.13 2r92G1 LEU 26 HD23 -0.11 -0.01 -0.09 -0.04 0.89 0.63 2r92G1 LYS 27 H -0.14 0.56 0.01 -0.55 8.42 8.30 2r92G1 LYS 27 HA -0.22 -0.03 0.34 -0.75 4.32 3.65 2r92G1 LYS 27 HB2 -0.15 0.14 0.16 -0.04 1.87 1.98 2r92G1 LYS 27 HB3 -0.48 -0.06 0.00 -0.04 1.79 1.22 2r92G1 LYS 27 HG2 -0.27 -0.04 0.02 -0.04 1.46 1.13 2r92G1 LYS 27 HG3 -0.16 0.14 0.07 -0.04 1.46 1.47 2r92G1 LYS 27 HD2 -0.04 -0.08 -0.07 -0.04 1.69 1.46 2r92G1 LYS 27 HD3 -0.73 -0.02 -0.01 -0.04 1.68 0.87 2r92G1 LYS 27 HE2 -0.19 0.00 0.03 -0.04 2.99 2.80 2r92G1 LYS 27 HE3 -0.08 -0.05 -0.02 -0.04 2.99 2.79 2r92G1 THR 28 H -0.15 0.53 -0.20 -0.55 8.28 7.91 2r92G1 THR 28 HA -0.09 -0.05 0.37 -0.75 4.39 3.86 2r92G1 THR 28 HB -0.42 0.20 0.15 -0.04 4.32 4.21 2r92G1 THR 28 HG23 -0.20 -0.03 -0.09 -0.04 1.22 0.86 2r92G1 LYS 29 H -0.26 0.66 -0.04 -0.55 8.42 8.23 2r92G1 LYS 29 HA -0.13 -0.00 0.50 -0.75 4.32 3.93 2r92G1 LYS 29 HB2 -0.13 0.00 0.10 -0.04 1.87 1.80 2r92G1 LYS 29 HB3 -0.01 0.04 0.04 -0.04 1.79 1.82 2r92G1 LYS 29 HG2 0.02 -0.01 -0.04 -0.04 1.46 1.39 2r92G1 LYS 29 HG3 0.01 -0.02 0.08 -0.04 1.46 1.49 2r92G1 LYS 29 HD2 0.36 -0.02 0.00 -0.04 1.69 1.99 2r92G1 LYS 29 HD3 0.22 -0.02 -0.02 -0.04 1.68 1.83 2r92G1 LYS 29 HE2 0.08 0.01 0.01 -0.04 2.99 3.05 2r92G1 LYS 29 HE3 0.11 0.01 0.01 -0.04 2.99 3.07 2r92G1 LEU 30 H -0.14 0.58 -0.18 -0.55 8.37 8.08 2r92G1 LEU 30 HA -0.15 -0.02 0.32 -0.75 4.35 3.75 2r92G1 LEU 30 HB2 -0.20 -0.04 0.02 -0.04 1.64 1.39 2r92G1 LEU 30 HB3 -0.19 0.30 0.27 -0.04 1.64 1.98 2r92G1 LEU 30 HG -0.26 -0.07 -0.25 -0.04 1.64 1.02 2r92G1 LEU 30 HD13 -0.55 -0.01 -0.09 -0.04 0.93 0.24 2r92G1 LEU 30 HD23 -0.25 -0.01 -0.06 -0.04 0.89 0.53 2r92G1 LEU 31 H -0.11 0.54 -0.01 -0.55 8.37 8.24 2r92G1 LEU 31 HA -0.03 -0.16 0.33 -0.75 4.35 3.74 2r92G1 LEU 31 HB2 -0.04 0.16 0.10 -0.04 1.64 1.83 2r92G1 LEU 31 HB3 0.00 -0.04 0.06 -0.04 1.64 1.62 2r92G1 LEU 31 HG -0.09 0.24 0.01 -0.04 1.64 1.76 2r92G1 LEU 31 HD13 0.10 -0.02 0.00 -0.04 0.93 0.97 2r92G1 LEU 31 HD23 -0.06 -0.05 0.01 -0.04 0.89 0.75 2r92G1 GLU 32 H -0.07 0.47 -0.17 -0.55 8.60 8.28 2r92G1 GLU 32 HA -0.02 0.01 0.39 -0.75 4.29 3.92 2r92G1 GLU 32 HB2 -0.05 0.07 0.14 -0.04 2.09 2.21 2r92G1 GLU 32 HB3 -0.02 -0.05 0.03 -0.04 1.99 1.91 2r92G1 GLU 32 HG2 -0.04 -0.05 0.05 -0.04 2.34 2.25 2r92G1 GLU 32 HG3 -0.08 0.30 0.10 -0.04 2.34 2.62 2r92G1 GLU 33 H -0.05 0.50 -0.31 -0.55 8.60 8.20 2r92G1 GLU 33 HA -0.02 0.15 0.75 -0.75 4.29 4.41 2r92G1 GLU 33 HB2 -0.04 0.20 0.14 -0.04 2.09 2.35 2r92G1 GLU 33 HB3 -0.04 -0.09 -0.02 -0.04 1.99 1.80 2r92G1 GLU 33 HG2 -0.02 -0.04 0.04 -0.04 2.34 2.28 2r92G1 GLU 33 HG3 -0.01 -0.00 -0.08 -0.04 2.34 2.21 2r92G1 VAL 34 H -0.04 0.35 -0.03 -0.55 8.24 7.97 2r92G1 VAL 34 HA -0.01 0.15 0.87 -0.75 4.13 4.39 2r92G1 VAL 34 HB 0.01 -0.05 -0.06 -0.04 2.12 1.98 2r92G1 VAL 34 HG13 0.22 -0.04 -0.26 -0.04 0.97 0.85 2r92G1 VAL 34 HG23 -0.14 0.03 -0.15 -0.04 0.95 0.65 2r92G1 GLU 35 H 0.02 0.16 0.06 -0.55 8.60 8.29 2r92G1 GLU 35 HA 0.05 -0.11 0.19 -0.75 4.29 3.67 2r92G1 GLU 35 HB2 0.03 0.13 0.18 -0.04 2.09 2.38 2r92G1 GLU 35 HB3 0.05 0.12 0.02 -0.04 1.99 2.13 2r92G1 GLU 35 HG2 0.07 -0.12 -0.09 -0.04 2.34 2.16 2r92G1 GLU 35 HG3 0.04 -0.03 0.10 -0.04 2.34 2.41 2r92G1 GLY 36 H 0.04 0.28 0.31 -0.55 8.43 8.51 2r92G1 GLY 36 HA2 0.03 -0.00 0.44 -0.51 4.01 3.97 2r92G1 GLY 36 HA3 0.01 0.11 0.90 -0.51 4.01 4.53 2r92G1 SER 37 H -0.00 0.26 0.25 -0.55 8.46 8.42 2r92G1 SER 37 HA -0.06 0.12 0.57 -0.75 4.49 4.36 2r92G1 SER 37 HB2 -0.04 -0.15 0.20 -0.04 3.95 3.92 2r92G1 SER 37 HB3 -0.02 0.22 0.19 -0.04 3.93 4.28 2r92G1 CYS 38 H -0.07 0.14 0.13 -0.55 8.50 8.15 2r92G1 CYS 38 HA -0.15 0.31 0.55 -0.75 4.58 4.53 2r92G1 CYS 38 HB2 -0.42 0.25 -0.48 -0.04 2.97 2.28 2r92G1 CYS 38 HB3 -0.22 -0.11 0.02 -0.04 2.97 2.61 2r92G1 THR 39 H -0.00 0.52 0.21 -0.55 8.28 8.46 2r92G1 THR 39 HA 0.01 0.32 0.92 -0.75 4.39 4.89 2r92G1 THR 39 HB 0.20 -0.36 0.06 -0.04 4.32 4.18 2r92G1 THR 39 HG23 0.14 -0.13 0.18 -0.04 1.22 1.36 2r92G1 GLY 40 H -0.01 0.12 0.25 -0.55 8.43 8.25 2r92G1 GLY 40 HA2 -0.08 0.26 0.89 -0.51 4.01 4.56 2r92G1 GLY 40 HA3 -0.07 0.09 0.34 -0.51 4.01 3.86 2r92G1 LYS 41 H -0.03 -0.11 0.17 -0.55 8.42 7.89 2r92G1 LYS 41 HA -0.34 0.28 0.75 -0.75 4.32 4.26 2r92G1 LYS 41 HB2 -0.07 -0.08 0.11 -0.04 1.87 1.79 2r92G1 LYS 41 HB3 -0.67 0.06 0.04 -0.04 1.79 1.18 2r92G1 LYS 41 HG2 -0.34 0.04 0.08 -0.04 1.46 1.21 2r92G1 LYS 41 HG3 -0.20 0.04 -0.01 -0.04 1.46 1.25 2r92G1 LYS 41 HD2 -0.04 -0.03 0.01 -0.04 1.69 1.59 2r92G1 LYS 41 HD3 -0.05 0.02 0.02 -0.04 1.68 1.62 2r92G1 LYS 41 HE2 -0.09 0.02 0.01 -0.04 2.99 2.89 2r92G1 LYS 41 HE3 -0.08 0.00 -0.01 -0.04 2.99 2.86 2r92G1 PHE 42 H -0.03 -0.43 -0.31 -0.55 8.34 7.01 2r92G1 PHE 42 HA -0.10 0.19 0.46 -0.75 4.62 4.41 2r92G1 PHE 42 HB2 -0.04 -0.02 -0.21 -0.04 3.15 2.84 2r92G1 PHE 42 HB3 -0.03 0.00 -0.13 -0.04 3.06 2.86 2r92G1 PHE 42 HD2 -0.04 -0.10 -0.17 -0.04 7.28 6.93 2r92G1 PHE 42 HE2 -0.02 -0.01 -0.06 -0.04 7.38 7.24 2r92G1 PHE 42 HZ -0.01 -0.01 -0.03 -0.04 7.32 7.23 2r92G1 GLY 43 H 0.00 -0.42 -0.41 -0.55 8.43 7.05 2r92G1 GLY 43 HA2 0.02 0.34 0.31 -0.51 4.01 4.17 2r92G1 GLY 43 HA3 -0.02 0.09 0.31 -0.51 4.01 3.88 2r92G1 TYR 44 H 0.25 0.49 0.17 -0.55 8.29 8.65 2r92G1 TYR 44 HA 0.03 0.24 0.78 -0.75 4.56 4.85 2r92G1 TYR 44 HB2 0.20 0.10 0.25 -0.04 3.06 3.56 2r92G1 TYR 44 HB3 0.11 0.03 -0.04 -0.04 2.98 3.04 2r92G1 TYR 44 HD2 -0.00 -0.09 -0.02 -0.04 7.15 7.00 2r92G1 TYR 44 HE2 -0.03 0.06 -0.05 -0.04 6.85 6.79 2r92G1 ILE 45 H 0.04 0.36 0.05 -0.55 8.25 8.15 2r92G1 ILE 45 HA 0.09 0.04 0.53 -0.75 4.18 4.09 2r92G1 ILE 45 HB 0.02 0.04 0.10 -0.04 1.89 2.01 2r92G1 ILE 45 HG12 0.04 0.01 -0.25 -0.04 1.49 1.25 2r92G1 ILE 45 HG13 -0.00 0.01 -0.14 -0.04 1.21 1.04 2r92G1 ILE 45 HG23 0.07 -0.06 -0.41 -0.04 0.93 0.49 2r92G1 ILE 45 HD13 -0.01 -0.01 -0.20 -0.04 0.88 0.62 2r92G1 LEU 46 H 0.10 0.40 0.25 -0.55 8.37 8.57 2r92G1 LEU 46 HA 0.10 0.22 1.11 -0.75 4.35 5.03 2r92G1 LEU 46 HB2 0.13 0.15 0.15 -0.04 1.64 2.03 2r92G1 LEU 46 HB3 0.11 -0.05 -0.01 -0.04 1.64 1.64 2r92G1 LEU 46 HG 0.19 0.03 -0.47 -0.04 1.64 1.35 2r92G1 LEU 46 HD13 0.08 -0.01 -0.09 -0.04 0.93 0.87 2r92G1 LEU 46 HD23 0.16 0.01 -0.03 -0.04 0.89 1.00 2r92G1 CYS 47 H 0.08 0.21 0.26 -0.55 8.50 8.49 2r92G1 CYS 47 HA 0.07 0.16 0.81 -0.75 4.58 4.87 2r92G1 CYS 47 HB2 0.07 0.09 -0.29 -0.04 2.97 2.79 2r92G1 CYS 47 HB3 0.07 -0.08 0.05 -0.04 2.97 2.97 2r92G1 VAL 48 H 0.08 0.20 0.13 -0.55 8.24 8.11 2r92G1 VAL 48 HA 0.06 0.10 0.72 -0.75 4.13 4.25 2r92G1 VAL 48 HB 0.09 -0.02 0.12 -0.04 2.12 2.27 2r92G1 VAL 48 HG13 0.25 0.05 -0.03 -0.04 0.97 1.20 2r92G1 VAL 48 HG23 0.13 -0.00 -0.02 -0.04 0.95 1.02 2r92G1 LEU 49 H 0.03 0.45 0.42 -0.55 8.37 8.72 2r92G1 LEU 49 HA 0.06 0.10 0.66 -0.75 4.35 4.42 2r92G1 LEU 49 HB2 0.03 0.04 -0.12 -0.04 1.64 1.55 2r92G1 LEU 49 HB3 0.04 -0.06 0.08 -0.04 1.64 1.66 2r92G1 LEU 49 HG 0.01 0.01 -0.00 -0.04 1.64 1.62 2r92G1 LEU 49 HD13 0.03 0.01 -0.13 -0.04 0.93 0.80 2r92G1 LEU 49 HD23 0.05 -0.01 -0.14 -0.04 0.89 0.74 2r92G1 ASP 50 H 0.06 0.14 0.13 -0.55 8.40 8.18 2r92G1 ASP 50 HA 0.07 -0.00 0.33 -0.75 4.63 4.27 2r92G1 ASP 50 HB2 0.04 0.00 -0.14 -0.04 2.71 2.57 2r92G1 ASP 50 HB3 0.05 0.20 -0.08 -0.04 2.70 2.82 2r92G1 TYR 51 H 0.18 0.11 -0.26 -0.55 8.29 7.77 2r92G1 TYR 51 HA 0.03 0.10 0.20 -0.75 4.56 4.14 2r92G1 TYR 51 HB2 0.01 0.08 0.05 -0.04 3.06 3.16 2r92G1 TYR 51 HB3 0.01 -0.08 0.05 -0.04 2.98 2.91 2r92G1 TYR 51 HD2 -0.00 0.04 -0.51 -0.04 7.15 6.64 2r92G1 TYR 51 HE2 -0.03 0.01 -0.07 -0.04 6.85 6.72 2r92G1 ASP 52 H 0.19 -0.05 -0.47 -0.55 8.40 7.52 2r92G1 ASP 52 HA 0.26 0.06 0.36 -0.75 4.63 4.55 2r92G1 ASP 52 HB2 0.08 -0.08 0.04 -0.04 2.71 2.71 2r92G1 ASP 52 HB3 0.06 0.05 -0.06 -0.04 2.70 2.71 2r92G1 ASN 53 H 0.07 0.25 -0.06 -0.55 8.53 8.24 2r92G1 ASN 53 HA 0.03 0.22 0.88 -0.75 4.76 5.14 2r92G1 ASN 53 HB2 0.03 -0.00 0.09 -0.04 2.88 2.96 2r92G1 ASN 53 HB3 0.03 -0.01 0.17 -0.04 2.79 2.94 2r92G1 ASN 53 HD21 0.02 -0.02 -0.02 -0.04 7.03 6.98 2r92G1 ASN 53 HD22 0.02 0.01 0.01 -0.04 7.74 7.74 2r92G1 ILE 54 H 0.00 0.33 -0.40 -0.55 8.25 7.63 2r92G1 ILE 54 HA 0.01 0.02 0.39 -0.75 4.18 3.85 2r92G1 ILE 54 HB -0.12 -0.05 0.05 -0.04 1.89 1.72 2r92G1 ILE 54 HG12 -0.03 -0.03 -0.01 -0.04 1.49 1.37 2r92G1 ILE 54 HG13 -0.11 0.44 0.11 -0.04 1.21 1.61 2r92G1 ILE 54 HG23 -0.09 -0.01 -0.21 -0.04 0.93 0.58 2r92G1 ILE 54 HD13 -0.34 -0.06 0.00 -0.04 0.88 0.45 2r92G1 ASP 55 H 0.02 0.39 0.31 -0.55 8.40 8.57 2r92G1 ASP 55 HA 0.00 0.04 0.71 -0.75 4.63 4.62 2r92G1 ASP 55 HB2 0.02 0.07 0.18 -0.04 2.71 2.94 2r92G1 ASP 55 HB3 0.02 -0.01 0.24 -0.04 2.70 2.91 2r92G1 ILE 56 H -0.01 0.08 0.23 -0.55 8.25 8.00 2r92G1 ILE 56 HA -0.03 0.15 0.84 -0.75 4.18 4.39 2r92G1 ILE 56 HB -0.04 0.02 0.11 -0.04 1.89 1.95 2r92G1 ILE 56 HG12 -0.14 0.01 -0.15 -0.04 1.49 1.17 2r92G1 ILE 56 HG13 -0.09 0.10 -0.09 -0.04 1.21 1.09 2r92G1 ILE 56 HG23 -0.18 -0.00 -0.14 -0.04 0.93 0.56 2r92G1 ILE 56 HD13 -0.22 -0.01 0.01 -0.04 0.88 0.62 2r92G1 GLN 57 H 0.03 -0.08 0.14 -0.55 8.47 8.02 2r92G1 GLN 57 HA 0.05 -0.00 0.32 -0.75 4.36 3.97 2r92G1 GLN 57 HB2 0.08 0.41 0.23 -0.04 2.15 2.82 2r92G1 GLN 57 HB3 0.05 -0.15 0.27 -0.04 2.02 2.14 2r92G1 GLN 57 HG2 0.03 -0.04 0.02 -0.04 2.40 2.37 2r92G1 GLN 57 HG3 0.04 -0.09 -0.29 -0.04 2.39 2.00 2r92G1 GLN 57 HE21 0.03 -0.13 0.05 -0.04 6.97 6.88 2r92G1 GLN 57 HE22 0.05 0.43 0.05 -0.04 7.69 8.18 2r92G1 ARG 58 H 0.05 0.14 0.19 -0.55 8.46 8.28 2r92G1 ARG 58 HA 0.12 0.09 0.76 -0.75 4.34 4.57 2r92G1 ARG 58 HB2 0.02 -0.06 0.15 -0.04 1.90 1.97 2r92G1 ARG 58 HB3 -0.00 0.12 -0.04 -0.04 1.80 1.83 2r92G1 ARG 58 HG2 0.04 0.04 0.05 -0.04 1.67 1.76 2r92G1 ARG 58 HG3 0.05 -0.04 -0.05 -0.04 1.67 1.59 2r92G1 ARG 58 HD2 0.02 -0.03 0.01 -0.04 3.22 3.18 2r92G1 ARG 58 HD3 0.01 0.02 0.01 -0.04 3.22 3.22 2r92G1 GLY 59 H -0.03 0.10 0.11 -0.55 8.43 8.06 2r92G1 GLY 59 HA2 -0.40 0.23 0.80 -0.51 4.01 4.13 2r92G1 GLY 59 HA3 -2.08 -0.05 0.09 -0.51 4.01 1.46 2r92G1 ARG 60 H -0.29 0.46 0.25 -0.55 8.46 8.32 2r92G1 ARG 60 HA -0.12 0.19 0.96 -0.75 4.34 4.62 2r92G1 ARG 60 HB2 -0.06 0.03 0.07 -0.04 1.90 1.89 2r92G1 ARG 60 HB3 -0.08 0.01 -0.02 -0.04 1.80 1.67 2r92G1 ARG 60 HG2 -0.08 0.04 0.06 -0.04 1.67 1.64 2r92G1 ARG 60 HG3 -0.07 -0.03 -0.45 -0.04 1.67 1.08 2r92G1 ARG 60 HD2 -0.04 0.05 -0.08 -0.04 3.22 3.11 2r92G1 ARG 60 HD3 -0.04 -0.02 -0.04 -0.04 3.22 3.08 2r92G1 ILE 61 H -0.04 0.15 0.16 -0.55 8.25 7.97 2r92G1 ILE 61 HA -0.00 0.08 0.73 -0.75 4.18 4.23 2r92G1 ILE 61 HB -0.02 -0.03 0.16 -0.04 1.89 1.96 2r92G1 ILE 61 HG12 0.11 0.03 -0.05 -0.04 1.49 1.54 2r92G1 ILE 61 HG13 0.01 -0.11 0.06 -0.04 1.21 1.13 2r92G1 ILE 61 HG23 -0.04 0.16 -0.03 -0.04 0.93 0.97 2r92G1 ILE 61 HD13 0.02 -0.01 0.02 -0.04 0.88 0.87 2r92G1 LEU 62 H -0.01 0.64 0.32 -0.55 8.37 8.78 2r92G1 LEU 62 HA -0.02 0.01 0.34 -0.75 4.35 3.93 2r92G1 LEU 62 HB2 -0.01 0.03 0.02 -0.04 1.64 1.64 2r92G1 LEU 62 HB3 -0.01 -0.08 0.11 -0.04 1.64 1.62 2r92G1 LEU 62 HG -0.01 0.09 -0.05 -0.04 1.64 1.63 2r92G1 LEU 62 HD13 0.00 -0.04 -0.10 -0.04 0.93 0.75 2r92G1 LEU 62 HD23 -0.02 -0.01 -0.05 -0.04 0.89 0.77 2r92G1 PRO 63 HA -0.02 0.43 1.19 -0.51 4.44 5.52 2r92G1 PRO 63 HB2 -0.02 -0.02 0.21 -0.04 2.28 2.41 2r92G1 PRO 63 HB3 -0.02 0.07 -0.00 -0.04 2.02 2.04 2r92G1 PRO 63 HG2 -0.01 0.00 0.03 -0.04 2.03 2.01 2r92G1 PRO 63 HG3 -0.02 0.10 -0.07 -0.04 2.03 2.00 2r92G1 PRO 63 HD2 -0.01 0.06 0.10 -0.04 3.68 3.78 2r92G1 PRO 63 HD3 -0.02 0.07 0.17 -0.04 3.65 3.83 2r92G1 THR 64 H -0.02 0.04 -0.02 -0.55 8.28 7.73 2r92G1 THR 64 HA -0.02 0.17 0.76 -0.75 4.39 4.55 2r92G1 THR 64 HB -0.02 -0.09 0.03 -0.04 4.32 4.20 2r92G1 THR 64 HG23 -0.02 -0.01 -0.12 -0.04 1.22 1.03 2r92G1 ASP 65 H -0.02 0.02 0.15 -0.55 8.40 7.99 2r92G1 ASP 65 HA -0.02 0.21 0.76 -0.75 4.63 4.82 2r92G1 ASP 65 HB2 -0.00 -0.10 0.15 -0.04 2.71 2.72 2r92G1 ASP 65 HB3 -0.02 0.08 0.03 -0.04 2.70 2.75 2r92G1 GLY 66 H -0.04 0.10 0.14 -0.55 8.43 8.08 2r92G1 GLY 66 HA2 -0.09 0.25 0.51 -0.51 4.01 4.16 2r92G1 GLY 66 HA3 -0.17 -0.01 0.31 -0.51 4.01 3.63 2r92G1 SER 67 H 0.01 -0.09 -0.17 -0.55 8.46 7.66 2r92G1 SER 67 HA 0.14 0.22 0.50 -0.75 4.49 4.58 2r92G1 SER 67 HB2 0.03 -0.07 -0.03 -0.04 3.95 3.83 2r92G1 SER 67 HB3 0.07 0.08 -0.17 -0.04 3.93 3.87 2r92G1 ALA 68 H 0.35 0.38 0.32 -0.55 8.40 8.90 2r92G1 ALA 68 HA 0.01 0.19 1.01 -0.75 4.34 4.80 2r92G1 ALA 68 HB3 0.09 -0.02 -0.12 -0.04 1.41 1.32 2r92G1 GLU 69 H -0.21 0.80 0.32 -0.55 8.60 8.96 2r92G1 GLU 69 HA 0.05 0.34 1.19 -0.75 4.29 5.11 2r92G1 GLU 69 HB2 -0.01 -0.04 -0.15 -0.04 2.09 1.85 2r92G1 GLU 69 HB3 -0.06 -0.01 0.13 -0.04 1.99 2.01 2r92G1 GLU 69 HG2 0.00 -0.00 -0.36 -0.04 2.34 1.94 2r92G1 GLU 69 HG3 0.03 0.02 -0.28 -0.04 2.34 2.07 2r92G1 PHE 70 H 0.36 0.50 0.29 -0.55 8.34 8.93 2r92G1 PHE 70 HA -0.01 0.19 1.00 -0.75 4.62 5.04 2r92G1 PHE 70 HB2 -0.03 -0.07 -0.01 -0.04 3.15 3.00 2r92G1 PHE 70 HB3 -0.03 0.27 -0.10 -0.04 3.06 3.16 2r92G1 PHE 70 HD2 -0.03 0.17 -0.17 -0.04 7.28 7.21 2r92G1 PHE 70 HE2 -0.11 -0.00 -0.08 -0.04 7.38 7.14 2r92G1 PHE 70 HZ -0.28 0.03 -0.11 -0.04 7.32 6.92 2r92G1 ASN 71 H 0.10 0.29 0.10 -0.55 8.53 8.47 2r92G1 ASN 71 HA 0.03 0.16 0.79 -0.75 4.76 4.98 2r92G1 ASN 71 HB2 0.02 -0.02 0.00 -0.04 2.88 2.84 2r92G1 ASN 71 HB3 0.03 0.01 0.17 -0.04 2.79 2.96 2r92G1 ASN 71 HD21 0.02 -0.01 -0.12 -0.04 7.03 6.88 2r92G1 ASN 71 HD22 0.02 -0.01 -0.05 -0.04 7.74 7.66 2r92G1 VAL 72 H -0.01 0.57 0.21 -0.55 8.24 8.46 2r92G1 VAL 72 HA -0.02 0.27 0.73 -0.75 4.13 4.36 2r92G1 VAL 72 HB -0.14 -0.04 0.14 -0.04 2.12 2.04 2r92G1 VAL 72 HG13 -0.17 -0.01 -0.23 -0.04 0.97 0.52 2r92G1 VAL 72 HG23 -0.08 -0.02 -0.10 -0.04 0.95 0.71 2r92G1 LYS 73 H 0.02 0.32 0.24 -0.55 8.42 8.45 2r92G1 LYS 73 HA 0.10 0.03 0.79 -0.75 4.32 4.48 2r92G1 LYS 73 HB2 0.05 -0.02 0.05 -0.04 1.87 1.91 2r92G1 LYS 73 HB3 0.04 -0.05 0.19 -0.04 1.79 1.94 2r92G1 LYS 73 HG2 0.05 -0.07 -0.02 -0.04 1.46 1.37 2r92G1 LYS 73 HG3 0.07 0.00 -0.17 -0.04 1.46 1.32 2r92G1 LYS 73 HD2 0.11 0.22 0.10 -0.04 1.69 2.07 2r92G1 LYS 73 HD3 0.06 -0.11 -0.11 -0.04 1.68 1.48 2r92G1 LYS 73 HE2 0.05 0.32 0.08 -0.04 2.99 3.40 2r92G1 LYS 73 HE3 0.04 -0.12 -0.24 -0.04 2.99 2.63 2r92G1 TYR 74 H 0.51 0.64 0.35 -0.55 8.29 9.24 2r92G1 TYR 74 HA -0.02 0.16 0.80 -0.75 4.56 4.74 2r92G1 TYR 74 HB2 -0.04 -0.06 0.17 -0.04 3.06 3.09 2r92G1 TYR 74 HB3 -0.05 0.04 -0.16 -0.04 2.98 2.76 2r92G1 TYR 74 HD2 -0.04 0.18 -0.16 -0.04 7.15 7.09 2r92G1 TYR 74 HE2 -0.07 -0.08 -0.34 -0.04 6.85 6.32 2r92G1 ARG 75 H -0.04 0.32 0.18 -0.55 8.46 8.37 2r92G1 ARG 75 HA -0.25 0.10 0.77 -0.75 4.34 4.21 2r92G1 ARG 75 HB2 -0.03 0.08 0.01 -0.04 1.90 1.92 2r92G1 ARG 75 HB3 -0.01 -0.03 -0.12 -0.04 1.80 1.60 2r92G1 ARG 75 HG2 -0.02 -0.11 -0.35 -0.04 1.67 1.15 2r92G1 ARG 75 HG3 -0.03 0.09 -0.15 -0.04 1.67 1.54 2r92G1 ARG 75 HD2 0.01 -0.03 -0.13 -0.04 3.22 3.03 2r92G1 ARG 75 HD3 0.01 -0.02 -0.13 -0.04 3.22 3.05 2r92G1 ALA 76 H -0.17 0.67 0.32 -0.55 8.40 8.66 2r92G1 ALA 76 HA -0.03 0.01 0.73 -0.75 4.34 4.30 2r92G1 ALA 76 HB3 -0.11 0.02 -0.11 -0.04 1.41 1.17 2r92G1 VAL 77 H 0.05 0.52 0.37 -0.55 8.24 8.63 2r92G1 VAL 77 HA 0.12 0.28 1.09 -0.75 4.13 4.86 2r92G1 VAL 77 HB 0.11 -0.11 0.29 -0.04 2.12 2.37 2r92G1 VAL 77 HG13 0.23 0.03 -0.09 -0.04 0.97 1.10 2r92G1 VAL 77 HG23 0.09 -0.01 0.00 -0.04 0.95 1.00 2r92G1 VAL 78 H 0.18 0.59 0.33 -0.55 8.24 8.79 2r92G1 VAL 78 HA 0.14 0.35 1.13 -0.75 4.13 5.01 2r92G1 VAL 78 HB 0.12 0.02 -0.05 -0.04 2.12 2.17 2r92G1 VAL 78 HG13 0.12 0.00 -0.27 -0.04 0.97 0.79 2r92G1 VAL 78 HG23 0.12 -0.03 -0.16 -0.04 0.95 0.84 2r92G1 PHE 79 H 0.14 0.35 0.11 -0.55 8.34 8.39 2r92G1 PHE 79 HA 0.04 0.10 0.62 -0.75 4.62 4.62 2r92G1 PHE 79 HB2 -1.04 0.07 0.02 -0.04 3.15 2.16 2r92G1 PHE 79 HB3 -0.38 0.01 -0.12 -0.04 3.06 2.53 2r92G1 PHE 79 HD2 -0.42 0.02 -0.07 -0.04 7.28 6.76 2r92G1 PHE 79 HE2 -0.26 -0.03 -0.10 -0.04 7.38 6.95 2r92G1 PHE 79 HZ -0.13 0.07 -0.07 -0.04 7.32 7.15 2r92G1 LYS 80 H -0.06 0.30 0.01 -0.55 8.42 8.11 2r92G1 LYS 80 HA -0.52 0.15 0.92 -0.75 4.32 4.12 2r92G1 LYS 80 HB2 -0.35 0.07 -0.04 -0.04 1.87 1.50 2r92G1 LYS 80 HB3 -0.21 -0.10 -0.31 -0.04 1.79 1.13 2r92G1 LYS 80 HG2 -0.63 0.07 0.05 -0.04 1.46 0.90 2r92G1 LYS 80 HG3 -0.48 0.01 -0.17 -0.04 1.46 0.78 2r92G1 LYS 80 HD2 -0.28 -0.02 -0.30 -0.04 1.69 1.05 2r92G1 LYS 80 HD3 -0.17 -0.16 -0.13 -0.04 1.68 1.19 2r92G1 LYS 80 HE2 -0.25 0.07 -0.02 -0.04 2.99 2.74 2r92G1 LYS 80 HE3 -0.49 0.00 -0.09 -0.04 2.99 2.37 2r92G1 PRO 81 HA 0.09 0.06 0.31 -0.51 4.44 4.39 2r92G1 PRO 81 HB2 -0.03 0.04 -0.09 -0.04 2.28 2.16 2r92G1 PRO 81 HB3 -0.12 0.03 -0.02 -0.04 2.02 1.87 2r92G1 PRO 81 HG2 -0.21 -0.00 -0.17 -0.04 2.03 1.61 2r92G1 PRO 81 HG3 -0.22 0.06 -0.12 -0.04 2.03 1.71 2r92G1 PRO 81 HD2 -0.49 0.06 0.15 -0.04 3.68 3.36 2r92G1 PRO 81 HD3 -1.20 0.17 -0.02 -0.04 3.65 2.56 2r92G1 PHE 82 H 0.29 0.16 0.12 -0.55 8.34 8.36 2r92G1 PHE 82 HA -0.04 0.18 0.71 -0.75 4.62 4.72 2r92G1 PHE 82 HB2 0.02 -0.03 -0.13 -0.04 3.15 2.96 2r92G1 PHE 82 HB3 -0.00 -0.00 0.05 -0.04 3.06 3.06 2r92G1 PHE 82 HD2 -0.00 -0.17 -0.16 -0.04 7.28 6.91 2r92G1 PHE 82 HE2 0.08 -0.01 -0.02 -0.04 7.38 7.39 2r92G1 PHE 82 HZ -0.17 -0.05 -0.05 -0.04 7.32 7.00 2r92G1 LYS 83 H 0.15 0.16 0.09 -0.55 8.42 8.26 2r92G1 LYS 83 HA 0.06 0.17 0.39 -0.75 4.32 4.19 2r92G1 LYS 83 HB2 0.06 -0.03 0.15 -0.04 1.87 2.01 2r92G1 LYS 83 HB3 0.04 0.35 0.07 -0.04 1.79 2.21 2r92G1 LYS 83 HG2 0.02 -0.16 -0.07 -0.04 1.46 1.21 2r92G1 LYS 83 HG3 0.03 -0.04 0.06 -0.04 1.46 1.47 2r92G1 LYS 83 HD2 0.02 0.03 0.09 -0.04 1.69 1.79 2r92G1 LYS 83 HD3 0.02 0.05 0.15 -0.04 1.68 1.86 2r92G1 LYS 83 HE2 -0.01 -0.33 0.19 -0.04 2.99 2.80 2r92G1 LYS 83 HE3 -0.03 0.05 0.08 -0.04 2.99 3.05 2r92G1 GLY 84 H 0.05 1.34 0.42 -0.55 8.43 9.70 2r92G1 GLY 84 HA2 0.03 -0.05 0.24 -0.51 4.01 3.73 2r92G1 GLY 84 HA3 0.03 0.10 0.63 -0.51 4.01 4.26 2r92G1 GLU 85 H 0.08 0.30 -0.13 -0.55 8.60 8.29 2r92G1 GLU 85 HA 0.02 0.14 0.67 -0.75 4.29 4.37 2r92G1 GLU 85 HB2 0.10 -0.02 -0.11 -0.04 2.09 2.02 2r92G1 GLU 85 HB3 0.12 0.00 0.08 -0.04 1.99 2.15 2r92G1 GLU 85 HG2 0.07 0.08 -0.22 -0.04 2.34 2.24 2r92G1 GLU 85 HG3 0.01 0.05 -0.02 -0.04 2.34 2.34 2r92G1 VAL 86 H 0.03 0.19 0.15 -0.55 8.24 8.05 2r92G1 VAL 86 HA 0.05 0.19 1.09 -0.75 4.13 4.70 2r92G1 VAL 86 HB 0.02 -0.03 0.11 -0.04 2.12 2.18 2r92G1 VAL 86 HG13 0.03 -0.00 -0.20 -0.04 0.97 0.77 2r92G1 VAL 86 HG23 0.02 -0.00 -0.06 -0.04 0.95 0.86 2r92G1 VAL 87 H 0.06 0.67 0.35 -0.55 8.24 8.77 2r92G1 VAL 87 HA 0.06 0.16 0.82 -0.75 4.13 4.41 2r92G1 VAL 87 HB 0.10 0.01 -0.09 -0.04 2.12 2.10 2r92G1 VAL 87 HG13 0.15 0.00 -0.20 -0.04 0.97 0.88 2r92G1 VAL 87 HG23 0.11 -0.02 -0.14 -0.04 0.95 0.86 2r92G1 ASP 88 H 0.03 0.23 0.17 -0.55 8.40 8.29 2r92G1 ASP 88 HA 0.02 -0.04 0.99 -0.75 4.63 4.85 2r92G1 ASP 88 HB2 -0.00 0.19 0.12 -0.04 2.71 2.98 2r92G1 ASP 88 HB3 0.01 -0.09 0.27 -0.04 2.70 2.85 2r92G1 GLY 89 H 0.00 0.16 0.05 -0.55 8.43 8.10 2r92G1 GLY 89 HA2 -0.00 0.15 0.75 -0.51 4.01 4.40 2r92G1 GLY 89 HA3 0.01 0.08 0.15 -0.51 4.01 3.74 2r92G1 THR 90 H -0.01 0.31 0.26 -0.55 8.28 8.30 2r92G1 THR 90 HA -0.04 0.15 0.80 -0.75 4.39 4.54 2r92G1 THR 90 HB -0.01 -0.03 0.11 -0.04 4.32 4.35 2r92G1 THR 90 HG23 -0.02 0.13 -0.09 -0.04 1.22 1.21 2r92G1 VAL 91 H -0.08 0.45 0.20 -0.55 8.24 8.26 2r92G1 VAL 91 HA -0.05 -0.08 0.59 -0.75 4.13 3.84 2r92G1 VAL 91 HB -0.10 0.39 0.25 -0.04 2.12 2.62 2r92G1 VAL 91 HG13 -0.03 -0.06 -0.21 -0.04 0.97 0.63 2r92G1 VAL 91 HG23 -0.42 0.01 0.02 -0.04 0.95 0.52 2r92G1 VAL 92 H 0.05 0.61 0.34 -0.55 8.24 8.68 2r92G1 VAL 92 HA 0.02 0.15 0.91 -0.75 4.13 4.46 2r92G1 VAL 92 HB 0.05 -0.16 0.21 -0.04 2.12 2.18 2r92G1 VAL 92 HG13 0.03 -0.02 -0.04 -0.04 0.97 0.90 2r92G1 VAL 92 HG23 0.04 0.03 -0.09 -0.04 0.95 0.88 2r92G1 SER 93 H 0.07 0.13 0.23 -0.55 8.46 8.35 2r92G1 SER 93 HA 0.06 0.19 0.72 -0.75 4.49 4.70 2r92G1 SER 93 HB2 0.03 -0.04 0.05 -0.04 3.95 3.94 2r92G1 SER 93 HB3 0.03 0.03 0.06 -0.04 3.93 4.01 2r92G1 CYS 94 H 0.09 0.17 0.06 -0.55 8.50 8.28 2r92G1 CYS 94 HA 0.19 0.06 0.70 -0.75 4.58 4.78 2r92G1 CYS 94 HB2 0.19 0.11 -0.15 -0.04 2.97 3.08 2r92G1 CYS 94 HB3 0.17 0.02 -0.18 -0.04 2.97 2.94 2r92G1 SER 95 H 0.11 0.71 0.25 -0.55 8.46 8.99 2r92G1 SER 95 HA 0.13 0.29 0.97 -0.75 4.49 5.13 2r92G1 SER 95 HB2 -0.00 -0.08 0.22 -0.04 3.95 4.05 2r92G1 SER 95 HB3 0.00 0.05 -0.01 -0.04 3.93 3.92 2r92G1 GLN 96 H -0.09 0.16 0.16 -0.55 8.47 8.15 2r92G1 GLN 96 HA -2.10 0.18 0.51 -0.75 4.36 2.19 2r92G1 GLN 96 HB2 -0.10 0.03 0.10 -0.04 2.15 2.14 2r92G1 GLN 96 HB3 -0.00 0.04 0.10 -0.04 2.02 2.12 2r92G1 GLN 96 HG2 0.07 -0.01 0.13 -0.04 2.40 2.55 2r92G1 GLN 96 HG3 0.34 -0.03 0.03 -0.04 2.39 2.68 2r92G1 GLN 96 HE21 0.11 0.01 0.01 -0.04 6.97 7.07 2r92G1 GLN 96 HE22 0.11 0.00 0.04 -0.04 7.69 7.80 2r92G1 HIS 97 H 0.10 0.03 -0.25 -0.55 8.41 7.75 2r92G1 HIS 97 HA -0.05 0.21 0.88 -0.75 4.63 4.91 2r92G1 HIS 97 HB2 0.04 0.02 -0.02 -0.04 3.26 3.26 2r92G1 HIS 97 HB3 0.12 -0.01 0.11 -0.04 3.20 3.37 2r92G1 HIS 97 HD2 0.03 0.00 -0.01 -0.04 6.97 6.96 2r92G1 HIS 97 HE1 -0.00 0.02 -0.04 -0.04 7.75 7.67 2r92G1 GLY 98 H 0.07 0.21 -0.29 -0.55 8.43 7.87 2r92G1 GLY 98 HA2 -0.34 0.07 0.20 -0.51 4.01 3.43 2r92G1 GLY 98 HA3 -0.18 0.37 0.86 -0.51 4.01 4.56 2r92G1 PHE 99 H -0.90 0.29 0.20 -0.55 8.34 7.38 2r92G1 PHE 99 HA 0.06 0.09 0.97 -0.75 4.62 5.00 2r92G1 PHE 99 HB2 -0.02 0.15 0.07 -0.04 3.15 3.31 2r92G1 PHE 99 HB3 -0.18 0.01 -0.03 -0.04 3.06 2.83 2r92G1 PHE 99 HD2 -0.22 -0.00 -0.41 -0.04 7.28 6.61 2r92G1 PHE 99 HE2 -0.12 -0.02 -0.12 -0.04 7.38 7.08 2r92G1 PHE 99 HZ -0.09 0.00 -0.13 -0.04 7.32 7.06 2r92G1 GLU 100 H 0.29 0.79 0.20 -0.55 8.60 9.33 2r92G1 GLU 100 HA 0.44 0.10 1.13 -0.75 4.29 5.20 2r92G1 GLU 100 HB2 0.18 -0.06 -0.17 -0.04 2.09 2.00 2r92G1 GLU 100 HB3 0.13 -0.14 0.14 -0.04 1.99 2.08 2r92G1 GLU 100 HG2 0.15 0.07 -0.27 -0.04 2.34 2.25 2r92G1 GLU 100 HG3 0.26 0.06 -0.40 -0.04 2.34 2.22 2r92G1 VAL 101 H 0.26 0.32 0.26 -0.55 8.24 8.53 2r92G1 VAL 101 HA 0.02 0.11 0.55 -0.75 4.13 4.05 2r92G1 VAL 101 HB 0.11 -0.01 -0.04 -0.04 2.12 2.14 2r92G1 VAL 101 HG13 0.01 -0.01 -0.44 -0.04 0.97 0.49 2r92G1 VAL 101 HG23 -0.01 -0.01 -0.15 -0.04 0.95 0.74 2r92G1 GLN 102 H 0.03 0.80 0.20 -0.55 8.47 8.95 2r92G1 GLN 102 HA 0.07 0.13 1.23 -0.75 4.36 5.03 2r92G1 GLN 102 HB2 0.05 -0.06 -0.04 -0.04 2.15 2.06 2r92G1 GLN 102 HB3 0.03 -0.04 0.20 -0.04 2.02 2.17 2r92G1 GLN 102 HG2 0.03 0.02 -0.24 -0.04 2.40 2.17 2r92G1 GLN 102 HG3 0.05 0.20 -0.10 -0.04 2.39 2.51 2r92G1 GLN 102 HE21 0.03 -0.08 -0.05 -0.04 6.97 6.83 2r92G1 GLN 102 HE22 0.02 0.12 -0.04 -0.04 7.69 7.75 2r92G1 VAL 103 H 0.06 0.22 -0.02 -0.55 8.24 7.96 2r92G1 VAL 103 HA 0.03 0.11 0.89 -0.75 4.13 4.40 2r92G1 VAL 103 HB 0.12 -0.02 -0.01 -0.04 2.12 2.17 2r92G1 VAL 103 HG13 0.11 0.01 -0.20 -0.04 0.97 0.85 2r92G1 VAL 103 HG23 0.06 0.00 -0.50 -0.04 0.95 0.47 2r92G1 GLY 104 H -0.02 0.17 0.10 -0.55 8.43 8.14 2r92G1 GLY 104 HA2 -0.06 0.02 0.32 -0.51 4.01 3.78 2r92G1 GLY 104 HA3 -0.26 0.10 0.51 -0.51 4.01 3.85 2r92G1 PRO 105 HA 0.05 0.08 0.42 -0.51 4.44 4.48 2r92G1 PRO 105 HB2 0.27 0.05 0.11 -0.04 2.28 2.67 2r92G1 PRO 105 HB3 0.11 0.00 0.11 -0.04 2.02 2.19 2r92G1 PRO 105 HG2 -0.24 0.06 -0.03 -0.04 2.03 1.78 2r92G1 PRO 105 HG3 0.01 0.04 0.05 -0.04 2.03 2.08 2r92G1 PRO 105 HD2 -0.74 0.16 0.25 -0.04 3.68 3.31 2r92G1 PRO 105 HD3 -0.27 0.07 0.17 -0.04 3.65 3.59 2r92G1 MET 106 H -0.03 0.21 -0.75 -0.55 8.47 7.35 2r92G1 MET 106 HA -0.07 0.19 0.95 -0.75 4.52 4.84 2r92G1 MET 106 HB2 -0.36 0.00 -0.02 -0.04 2.15 1.73 2r92G1 MET 106 HB3 0.06 0.08 0.00 -0.04 2.03 2.13 2r92G1 MET 106 HG2 0.02 -0.12 -0.47 -0.04 2.63 2.02 2r92G1 MET 106 HG3 -0.09 0.34 0.14 -0.04 2.56 2.91 2r92G1 MET 106 HE3 0.24 -0.00 -0.09 -0.04 2.10 2.20 2r92G1 LYS 107 H -0.01 0.26 0.16 -0.55 8.42 8.28 2r92G1 LYS 107 HA 0.10 0.19 1.08 -0.75 4.32 4.93 2r92G1 LYS 107 HB2 0.26 -0.05 0.13 -0.04 1.87 2.16 2r92G1 LYS 107 HB3 0.18 -0.00 -0.07 -0.04 1.79 1.86 2r92G1 LYS 107 HG2 0.09 0.07 -0.10 -0.04 1.46 1.48 2r92G1 LYS 107 HG3 0.10 0.02 -0.25 -0.04 1.46 1.29 2r92G1 LYS 107 HD2 0.16 -0.03 -0.06 -0.04 1.69 1.72 2r92G1 LYS 107 HD3 0.10 -0.04 -0.08 -0.04 1.68 1.62 2r92G1 LYS 107 HE2 0.07 0.02 -0.07 -0.04 2.99 2.97 2r92G1 LYS 107 HE3 0.08 0.04 -0.08 -0.04 2.99 2.99 2r92G1 VAL 108 H 0.12 0.37 0.18 -0.55 8.24 8.36 2r92G1 VAL 108 HA 0.15 0.20 0.92 -0.75 4.13 4.65 2r92G1 VAL 108 HB 0.11 -0.06 -0.02 -0.04 2.12 2.11 2r92G1 VAL 108 HG13 0.09 0.00 -0.26 -0.04 0.97 0.76 2r92G1 VAL 108 HG23 0.09 -0.01 -0.18 -0.04 0.95 0.81 2r92G1 PHE 109 H 0.23 0.54 0.41 -0.55 8.34 8.97 2r92G1 PHE 109 HA 0.09 0.13 1.13 -0.75 4.62 5.21 2r92G1 PHE 109 HB2 0.04 0.00 -0.08 -0.04 3.15 3.07 2r92G1 PHE 109 HB3 0.03 -0.02 0.07 -0.04 3.06 3.09 2r92G1 PHE 109 HD2 -0.01 0.05 -0.28 -0.04 7.28 7.01 2r92G1 PHE 109 HE2 -0.06 -0.09 -0.39 -0.04 7.38 6.80 2r92G1 PHE 109 HZ -0.02 0.04 -0.34 -0.04 7.32 6.95 2r92G1 VAL 110 H -0.41 0.67 0.32 -0.55 8.24 8.27 2r92G1 VAL 110 HA -0.47 0.19 1.12 -0.75 4.13 4.21 2r92G1 VAL 110 HB -0.97 -0.05 0.10 -0.04 2.12 1.16 2r92G1 VAL 110 HG13 -0.31 0.08 -0.10 -0.04 0.97 0.59 2r92G1 VAL 110 HG23 0.09 0.02 -0.26 -0.04 0.95 0.76 2r92G1 THR 111 H -0.50 0.15 0.17 -0.55 8.28 7.55 2r92G1 THR 111 HA -0.49 0.26 0.53 -0.75 4.39 3.94 2r92G1 THR 111 HB -0.16 -0.01 0.08 -0.04 4.32 4.19 2r92G1 THR 111 HG23 -0.01 -0.24 -0.04 -0.04 1.22 0.89 2r92G1 LYS 112 H -0.16 0.60 0.18 -0.55 8.42 8.49 2r92G1 LYS 112 HA -0.16 0.07 0.26 -0.75 4.32 3.73 2r92G1 LYS 112 HB2 -0.10 0.01 -0.16 -0.04 1.87 1.58 2r92G1 LYS 112 HB3 -0.26 -0.05 0.10 -0.04 1.79 1.53 2r92G1 LYS 112 HG2 -0.39 0.01 -0.01 -0.04 1.46 1.02 2r92G1 LYS 112 HG3 -0.95 -0.01 -0.36 -0.04 1.46 0.11 2r92G1 LYS 112 HD2 -0.03 0.06 0.05 -0.04 1.69 1.73 2r92G1 LYS 112 HD3 -0.01 -0.01 -0.05 -0.04 1.68 1.57 2r92G1 LYS 112 HE2 -0.10 -0.05 0.01 -0.04 2.99 2.81 2r92G1 LYS 112 HE3 -0.16 -0.00 -0.02 -0.04 2.99 2.77 2r92G1 HIS 113 H -0.12 0.00 -0.45 -0.55 8.41 7.30 2r92G1 HIS 113 HA -0.03 0.25 0.68 -0.75 4.63 4.77 2r92G1 HIS 113 HB2 -0.05 -0.04 0.02 -0.04 3.26 3.15 2r92G1 HIS 113 HB3 -0.03 0.02 0.15 -0.04 3.20 3.29 2r92G1 HIS 113 HD2 -0.05 -0.02 -0.00 -0.04 6.97 6.85 2r92G1 HIS 113 HE1 -0.02 0.01 -0.03 -0.04 7.75 7.67 2r92G1 LEU 114 H -0.13 0.83 -0.32 -0.55 8.37 8.21 2r92G1 LEU 114 HA -0.02 0.18 0.88 -0.75 4.35 4.64 2r92G1 LEU 114 HB2 -0.12 -0.14 0.06 -0.04 1.64 1.40 2r92G1 LEU 114 HB3 -0.16 0.04 0.17 -0.04 1.64 1.66 2r92G1 LEU 114 HG -0.04 -0.10 0.15 -0.04 1.64 1.61 2r92G1 LEU 114 HD13 -0.02 0.03 0.01 -0.04 0.93 0.90 2r92G1 LEU 114 HD23 -0.08 0.06 -0.13 -0.04 0.89 0.70 2r92G1 MET 115 H -0.05 0.19 -0.30 -0.55 8.47 7.76 2r92G1 MET 115 HA -0.02 -0.02 0.59 -0.75 4.52 4.32 2r92G1 MET 115 HB2 0.00 0.27 0.13 -0.04 2.15 2.50 2r92G1 MET 115 HB3 -0.00 -0.06 0.08 -0.04 2.03 2.01 2r92G1 MET 115 HG2 -0.28 -0.10 -0.24 -0.04 2.63 1.97 2r92G1 MET 115 HG3 -0.18 -0.03 -0.14 -0.04 2.56 2.18 2r92G1 MET 115 HE3 -0.91 -0.05 -0.12 -0.04 2.10 0.98 2r92G1 PRO 116 HA 0.02 0.17 0.77 -0.51 4.44 4.89 2r92G1 PRO 116 HB2 0.02 -0.14 0.08 -0.04 2.28 2.20 2r92G1 PRO 116 HB3 0.02 0.13 0.08 -0.04 2.02 2.21 2r92G1 PRO 116 HG2 0.05 -0.02 -0.07 -0.04 2.03 1.94 2r92G1 PRO 116 HG3 0.04 0.04 0.01 -0.04 2.03 2.08 2r92G1 PRO 116 HD2 0.05 0.10 0.16 -0.04 3.68 3.96 2r92G1 PRO 116 HD3 0.03 0.24 0.02 -0.04 3.65 3.91 2r92G1 GLN 117 H 0.03 0.09 0.17 -0.55 8.47 8.21 2r92G1 GLN 117 HA 0.04 0.26 0.60 -0.75 4.36 4.51 2r92G1 GLN 117 HB2 0.02 -0.07 0.13 -0.04 2.15 2.19 2r92G1 GLN 117 HB3 0.03 0.03 0.02 -0.04 2.02 2.06 2r92G1 GLN 117 HG2 0.03 0.01 0.03 -0.04 2.40 2.43 2r92G1 GLN 117 HG3 0.05 0.08 -0.01 -0.04 2.39 2.46 2r92G1 GLN 117 HE21 0.01 0.01 0.04 -0.04 6.97 6.99 2r92G1 GLN 117 HE22 0.02 0.00 0.03 -0.04 7.69 7.70 2r92G1 ASP 118 H 0.02 0.04 0.04 -0.55 8.40 7.97 2r92G1 ASP 118 HA 0.02 0.08 0.32 -0.75 4.63 4.29 2r92G1 ASP 118 HB2 0.02 -0.06 0.18 -0.04 2.71 2.81 2r92G1 ASP 118 HB3 0.01 0.01 0.13 -0.04 2.70 2.82 2r92G1 LEU 119 H 0.05 0.14 -1.58 -0.55 8.37 6.43 2r92G1 LEU 119 HA 0.07 0.26 0.94 -0.75 4.35 4.87 2r92G1 LEU 119 HB2 0.08 -0.18 -0.12 -0.04 1.64 1.38 2r92G1 LEU 119 HB3 0.10 0.17 0.09 -0.04 1.64 1.96 2r92G1 LEU 119 HG 0.30 0.10 -0.16 -0.04 1.64 1.84 2r92G1 LEU 119 HD13 0.14 0.14 -0.28 -0.04 0.93 0.88 2r92G1 LEU 119 HD23 0.16 -0.04 -0.06 -0.04 0.89 0.91 2r92G1 THR 120 H 0.03 0.25 0.10 -0.55 8.28 8.12 2r92G1 THR 120 HA 0.01 0.23 0.85 -0.75 4.39 4.73 2r92G1 THR 120 HB -0.03 -0.12 0.18 -0.04 4.32 4.31 2r92G1 THR 120 HG23 0.01 0.01 -0.09 -0.04 1.22 1.11 2r92G1 PHE 121 H -0.04 0.17 0.17 -0.55 8.34 8.09 2r92G1 PHE 121 HA -0.84 0.22 1.05 -0.75 4.62 4.30 2r92G1 PHE 121 HB2 -0.85 0.07 -0.03 -0.04 3.15 2.30 2r92G1 PHE 121 HB3 -0.28 -0.05 0.16 -0.04 3.06 2.84 2r92G1 PHE 121 HD2 -0.42 0.07 -0.01 -0.04 7.28 6.88 2r92G1 PHE 121 HE2 0.05 -0.00 -0.13 -0.04 7.38 7.25 2r92G1 PHE 121 HZ 0.04 -0.04 -0.12 -0.04 7.32 7.16 2r92G1 ASN 122 H -0.39 0.58 0.23 -0.55 8.53 8.41 2r92G1 ASN 122 HA -0.39 0.08 0.87 -0.75 4.76 4.57 2r92G1 ASN 122 HB2 -0.15 -0.03 -0.08 -0.04 2.88 2.58 2r92G1 ASN 122 HB3 -0.16 0.03 -0.00 -0.04 2.79 2.62 2r92G1 ASN 122 HD21 -0.11 0.04 -0.16 -0.04 7.03 6.76 2r92G1 ASN 122 HD22 -0.17 -0.00 -0.01 -0.04 7.74 7.52 2r92G1 ALA 123 H -0.49 0.15 0.12 -0.55 8.40 7.63 2r92G1 ALA 123 HA -0.51 0.13 0.53 -0.75 4.34 3.74 2r92G1 ALA 123 HB3 -0.17 -0.00 0.11 -0.04 1.41 1.30 2r92G1 GLY 124 H -0.14 0.07 0.03 -0.55 8.43 7.84 2r92G1 GLY 124 HA2 -0.04 0.10 0.36 -0.51 4.01 3.92 2r92G1 GLY 124 HA3 -0.06 -0.01 0.36 -0.51 4.01 3.79 2r92G1 SER 125 H -0.07 0.93 -0.23 -0.55 8.46 8.55 2r92G1 SER 125 HA -0.03 0.12 0.77 -0.75 4.49 4.60 2r92G1 SER 125 HB2 -0.01 0.07 -0.14 -0.04 3.95 3.82 2r92G1 SER 125 HB3 -0.07 -0.11 -0.26 -0.04 3.93 3.46 2r92G1 ASN 126 H 0.00 0.20 -0.03 -0.55 8.53 8.16 2r92G1 ASN 126 HA 0.02 0.08 0.76 -0.75 4.76 4.88 2r92G1 ASN 126 HB2 0.00 -0.02 -0.21 -0.04 2.88 2.61 2r92G1 ASN 126 HB3 0.01 -0.01 0.09 -0.04 2.79 2.84 2r92G1 ASN 126 HD21 0.01 -0.02 -0.01 -0.04 7.03 6.97 2r92G1 ASN 126 HD22 0.01 -0.02 -0.04 -0.04 7.74 7.65 2r92G1 PRO 127 HA 0.04 0.11 0.38 -0.51 4.44 4.46 2r92G1 PRO 127 HB2 0.05 0.12 0.07 -0.04 2.28 2.49 2r92G1 PRO 127 HB3 0.03 -0.01 0.13 -0.04 2.02 2.14 2r92G1 PRO 127 HG2 0.04 0.01 0.05 -0.04 2.03 2.09 2r92G1 PRO 127 HG3 0.03 -0.04 0.12 -0.04 2.03 2.10 2r92G1 PRO 127 HD2 0.02 0.09 0.40 -0.04 3.68 4.16 2r92G1 PRO 127 HD3 0.02 0.07 0.16 -0.04 3.65 3.85 2r92G1 PRO 128 HA 0.08 0.09 0.42 -0.51 4.44 4.52 2r92G1 PRO 128 HB2 0.19 0.06 0.11 -0.04 2.28 2.60 2r92G1 PRO 128 HB3 0.25 0.01 0.15 -0.04 2.02 2.39 2r92G1 PRO 128 HG2 0.11 -0.02 0.16 -0.04 2.03 2.23 2r92G1 PRO 128 HG3 0.09 0.12 0.21 -0.04 2.03 2.41 2r92G1 PRO 128 HD2 0.08 0.06 0.21 -0.04 3.68 3.99 2r92G1 PRO 128 HD3 0.06 0.07 0.27 -0.04 3.65 4.00 2r92G1 SER 129 H 0.09 0.35 0.26 -0.55 8.46 8.62 2r92G1 SER 129 HA 0.32 0.15 0.66 -0.75 4.49 4.87 2r92G1 SER 129 HB2 0.14 0.00 0.03 -0.04 3.95 4.08 2r92G1 SER 129 HB3 0.11 0.09 -0.24 -0.04 3.93 3.85 2r92G1 TYR 130 H 0.32 0.73 0.28 -0.55 8.29 9.07 2r92G1 TYR 130 HA 0.15 0.05 1.01 -0.75 4.56 5.02 2r92G1 TYR 130 HB2 0.20 -0.04 0.14 -0.04 3.06 3.32 2r92G1 TYR 130 HB3 0.15 0.06 0.00 -0.04 2.98 3.15 2r92G1 TYR 130 HD2 0.20 -0.03 -0.41 -0.04 7.15 6.87 2r92G1 TYR 130 HE2 0.01 0.11 -0.16 -0.04 6.85 6.77 2r92G1 GLN 131 H 0.02 0.09 0.04 -0.55 8.47 8.06 2r92G1 GLN 131 HA 0.07 0.19 0.98 -0.75 4.36 4.84 2r92G1 GLN 131 HB2 -0.01 -0.08 0.01 -0.04 2.15 2.02 2r92G1 GLN 131 HB3 0.01 0.12 0.02 -0.04 2.02 2.12 2r92G1 GLN 131 HG2 0.03 0.03 -0.01 -0.04 2.40 2.41 2r92G1 GLN 131 HG3 0.00 -0.06 -0.13 -0.04 2.39 2.16 2r92G1 GLN 131 HE21 -0.01 -0.00 -0.06 -0.04 6.97 6.86 2r92G1 GLN 131 HE22 -0.02 -0.04 -0.09 -0.04 7.69 7.50 2r92G1 SER 132 H 0.04 0.39 0.27 -0.55 8.46 8.61 2r92G1 SER 132 HA 0.04 0.33 0.80 -0.75 4.49 4.90 2r92G1 SER 132 HB2 0.07 0.09 -0.22 -0.04 3.95 3.85 2r92G1 SER 132 HB3 0.04 -0.15 0.11 -0.04 3.93 3.89 2r92G1 SER 133 H 0.02 0.14 0.19 -0.55 8.46 8.26 2r92G1 SER 133 HA 0.01 0.10 0.48 -0.75 4.49 4.32 2r92G1 SER 133 HB2 0.01 -0.13 0.20 -0.04 3.95 3.99 2r92G1 SER 133 HB3 0.01 0.04 0.07 -0.04 3.93 4.00 2r92G1 GLU 134 H 0.01 -0.04 0.04 -0.55 8.60 8.07 2r92G1 GLU 134 HA 0.01 0.28 0.84 -0.75 4.29 4.66 2r92G1 GLU 134 HB2 0.01 0.03 0.07 -0.04 2.09 2.16 2r92G1 GLU 134 HB3 0.01 0.03 -0.05 -0.04 1.99 1.93 2r92G1 GLU 134 HG2 0.01 -0.09 0.03 -0.04 2.34 2.25 2r92G1 GLU 134 HG3 0.01 0.02 -0.13 -0.04 2.34 2.20 2r92G1 ASP 135 H 0.03 -0.09 -0.06 -0.55 8.40 7.73 2r92G1 ASP 135 HA 0.02 0.23 0.86 -0.75 4.63 4.99 2r92G1 ASP 135 HB2 0.04 -0.03 0.00 -0.04 2.71 2.69 2r92G1 ASP 135 HB3 0.04 0.04 -0.06 -0.04 2.70 2.69 2r92G1 VAL 136 H 0.03 0.22 0.02 -0.55 8.24 7.97 2r92G1 VAL 136 HA 0.07 0.26 0.79 -0.75 4.13 4.50 2r92G1 VAL 136 HB 0.03 -0.02 0.03 -0.04 2.12 2.12 2r92G1 VAL 136 HG13 0.04 -0.01 -0.23 -0.04 0.97 0.73 2r92G1 VAL 136 HG23 0.03 -0.02 -0.29 -0.04 0.95 0.62 2r92G1 ILE 137 H 0.13 0.67 0.23 -0.55 8.25 8.73 2r92G1 ILE 137 HA 0.01 0.09 0.86 -0.75 4.18 4.39 2r92G1 ILE 137 HB 0.13 0.02 0.09 -0.04 1.89 2.09 2r92G1 ILE 137 HG12 -0.02 0.00 -0.16 -0.04 1.49 1.28 2r92G1 ILE 137 HG13 0.07 -0.08 -0.16 -0.04 1.21 1.00 2r92G1 ILE 137 HG23 -0.22 0.03 -0.11 -0.04 0.93 0.59 2r92G1 ILE 137 HD13 0.05 0.00 -0.12 -0.04 0.88 0.77 2r92G1 THR 138 H 0.00 0.06 0.03 -0.55 8.28 7.83 2r92G1 THR 138 HA 0.11 0.24 0.75 -0.75 4.39 4.74 2r92G1 THR 138 HB 0.04 -0.12 0.06 -0.04 4.32 4.26 2r92G1 THR 138 HG23 0.07 0.15 0.04 -0.04 1.22 1.44 2r92G1 ILE 139 H 0.04 0.12 0.09 -0.55 8.25 7.95 2r92G1 ILE 139 HA 0.02 0.25 0.37 -0.75 4.18 4.07 2r92G1 ILE 139 HB 0.02 -0.19 0.27 -0.04 1.89 1.95 2r92G1 ILE 139 HG12 0.05 0.13 0.03 -0.04 1.49 1.66 2r92G1 ILE 139 HG13 0.05 -0.01 0.09 -0.04 1.21 1.30 2r92G1 ILE 139 HG23 0.02 0.05 -0.02 -0.04 0.93 0.94 2r92G1 ILE 139 HD13 0.03 -0.01 0.07 -0.04 0.88 0.93 2r92G1 LYS 140 H 0.01 0.07 0.12 -0.55 8.42 8.06 2r92G1 LYS 140 HA -0.01 0.16 0.36 -0.75 4.32 4.08 2r92G1 LYS 140 HB2 -0.00 -0.02 0.03 -0.04 1.87 1.83 2r92G1 LYS 140 HB3 -0.01 0.01 0.15 -0.04 1.79 1.91 2r92G1 LYS 140 HG2 0.01 -0.07 0.15 -0.04 1.46 1.51 2r92G1 LYS 140 HG3 0.00 0.00 0.07 -0.04 1.46 1.50 2r92G1 LYS 140 HD2 0.00 -0.00 0.06 -0.04 1.69 1.71 2r92G1 LYS 140 HD3 0.00 0.06 0.04 -0.04 1.68 1.75 2r92G1 LYS 140 HE2 0.01 -0.00 0.04 -0.04 2.99 3.00 2r92G1 LYS 140 HE3 0.01 -0.01 0.04 -0.04 2.99 2.98 2r92G1 SER 141 H -0.03 -0.03 -0.92 -0.55 8.46 6.94 2r92G1 SER 141 HA -0.03 -0.02 0.39 -0.75 4.49 4.07 2r92G1 SER 141 HB2 -0.07 0.05 -0.06 -0.04 3.95 3.83 2r92G1 SER 141 HB3 -0.03 0.00 0.08 -0.04 3.93 3.95 2r92G1 ARG 142 H -0.04 0.08 0.24 -0.55 8.46 8.20 2r92G1 ARG 142 HA -0.05 0.13 0.70 -0.75 4.34 4.36 2r92G1 ARG 142 HB2 -0.03 -0.09 0.21 -0.04 1.90 1.95 2r92G1 ARG 142 HB3 -0.03 0.07 -0.00 -0.04 1.80 1.80 2r92G1 ARG 142 HG2 -0.03 0.05 0.03 -0.04 1.67 1.69 2r92G1 ARG 142 HG3 -0.02 -0.00 0.14 -0.04 1.67 1.74 2r92G1 ARG 142 HD2 -0.02 -0.05 0.03 -0.04 3.22 3.14 2r92G1 ARG 142 HD3 -0.02 0.02 -0.02 -0.04 3.22 3.17 2r92G1 ILE 143 H -0.08 0.46 0.37 -0.55 8.25 8.45 2r92G1 ILE 143 HA -0.06 0.24 0.91 -0.75 4.18 4.52 2r92G1 ILE 143 HB -0.15 -0.03 0.01 -0.04 1.89 1.67 2r92G1 ILE 143 HG12 -0.20 -0.01 -0.25 -0.04 1.49 0.99 2r92G1 ILE 143 HG13 -0.26 0.13 -0.23 -0.04 1.21 0.80 2r92G1 ILE 143 HG23 -0.04 0.04 -0.07 -0.04 0.93 0.82 2r92G1 ILE 143 HD13 -0.90 -0.02 -0.13 -0.04 0.88 -0.21 2r92G1 ARG 144 H -0.00 0.40 0.16 -0.55 8.46 8.46 2r92G1 ARG 144 HA 0.02 -0.00 0.73 -0.75 4.34 4.33 2r92G1 ARG 144 HB2 0.01 0.03 -0.10 -0.04 1.90 1.81 2r92G1 ARG 144 HB3 0.02 -0.03 0.02 -0.04 1.80 1.78 2r92G1 ARG 144 HG2 0.04 -0.02 -0.12 -0.04 1.67 1.53 2r92G1 ARG 144 HG3 0.03 0.00 -0.24 -0.04 1.67 1.43 2r92G1 ARG 144 HD2 0.04 0.00 -0.06 -0.04 3.22 3.16 2r92G1 ARG 144 HD3 0.04 0.06 -0.03 -0.04 3.22 3.24 2r92G1 VAL 145 H 0.04 0.58 0.32 -0.55 8.24 8.63 2r92G1 VAL 145 HA 0.06 0.28 1.07 -0.75 4.13 4.78 2r92G1 VAL 145 HB 0.07 0.02 -0.04 -0.04 2.12 2.13 2r92G1 VAL 145 HG13 0.06 0.02 -0.29 -0.04 0.97 0.72 2r92G1 VAL 145 HG23 0.11 -0.02 -0.26 -0.04 0.95 0.75 2r92G1 LYS 146 H 0.04 0.52 0.26 -0.55 8.42 8.69 2r92G1 LYS 146 HA 0.04 0.20 0.84 -0.75 4.32 4.65 2r92G1 LYS 146 HB2 0.04 0.06 -0.01 -0.04 1.87 1.91 2r92G1 LYS 146 HB3 0.03 -0.06 0.22 -0.04 1.79 1.94 2r92G1 LYS 146 HG2 0.03 -0.05 -0.39 -0.04 1.46 1.02 2r92G1 LYS 146 HG3 0.03 0.08 -0.22 -0.04 1.46 1.31 2r92G1 LYS 146 HD2 0.03 0.02 -0.06 -0.04 1.69 1.64 2r92G1 LYS 146 HD3 0.03 -0.08 -0.04 -0.04 1.68 1.54 2r92G1 LYS 146 HE2 0.02 -0.01 -0.08 -0.04 2.99 2.88 2r92G1 LYS 146 HE3 0.02 0.08 -0.06 -0.04 2.99 2.99 2r92G1 ILE 147 H 0.06 0.73 0.22 -0.55 8.25 8.71 2r92G1 ILE 147 HA 0.05 -0.02 0.36 -0.75 4.18 3.81 2r92G1 ILE 147 HB 0.07 0.02 0.34 -0.04 1.89 2.28 2r92G1 ILE 147 HG12 0.07 -0.05 -0.13 -0.04 1.49 1.34 2r92G1 ILE 147 HG13 0.07 0.03 0.01 -0.04 1.21 1.28 2r92G1 ILE 147 HG23 0.05 -0.05 -0.29 -0.04 0.93 0.60 2r92G1 ILE 147 HD13 0.09 -0.02 -0.08 -0.04 0.88 0.84 2r92G1 GLU 148 H 0.02 0.37 0.71 -0.55 8.60 9.16 2r92G1 GLU 148 HA 0.03 0.01 0.55 -0.75 4.29 4.13 2r92G1 GLU 148 HB2 0.01 0.15 0.18 -0.04 2.09 2.39 2r92G1 GLU 148 HB3 0.01 -0.04 0.03 -0.04 1.99 1.95 2r92G1 GLU 148 HG2 0.01 0.03 0.19 -0.04 2.34 2.53 2r92G1 GLU 148 HG3 -0.01 -0.02 -0.01 -0.04 2.34 2.26 2r92G1 GLY 149 H 0.03 0.44 0.25 -0.55 8.43 8.60 2r92G1 GLY 149 HA2 0.02 0.12 0.65 -0.51 4.01 4.29 2r92G1 GLY 149 HA3 0.02 0.03 0.31 -0.51 4.01 3.86 2r92G1 CYS 150 H 0.00 0.22 0.14 -0.55 8.50 8.32 2r92G1 CYS 150 HA 0.02 0.22 1.15 -0.75 4.58 5.22 2r92G1 CYS 150 HB2 -0.05 -0.02 -0.01 -0.04 2.97 2.84 2r92G1 CYS 150 HB3 -0.05 0.06 -0.15 -0.04 2.97 2.78 2r92G1 ILE 151 H 0.04 0.83 0.26 -0.55 8.25 8.84 2r92G1 ILE 151 HA 0.01 0.14 0.95 -0.75 4.18 4.52 2r92G1 ILE 151 HB 0.08 -0.04 0.12 -0.04 1.89 2.00 2r92G1 ILE 151 HG12 0.03 0.04 -0.19 -0.04 1.49 1.33 2r92G1 ILE 151 HG13 0.04 -0.14 -0.37 -0.04 1.21 0.70 2r92G1 ILE 151 HG23 0.03 0.02 -0.06 -0.04 0.93 0.88 2r92G1 ILE 151 HD13 0.06 -0.01 -0.12 -0.04 0.88 0.77 2r92G1 SER 152 H -0.01 0.14 0.10 -0.55 8.46 8.14 2r92G1 SER 152 HA 0.00 0.08 0.58 -0.75 4.49 4.40 2r92G1 SER 152 HB2 -0.03 0.04 -0.03 -0.04 3.95 3.89 2r92G1 SER 152 HB3 -0.05 0.01 0.11 -0.04 3.93 3.97 2r92G1 GLN 153 H 0.01 0.65 0.29 -0.55 8.47 8.88 2r92G1 GLN 153 HA 0.02 0.04 0.71 -0.75 4.36 4.37 2r92G1 GLN 153 HB2 0.06 0.08 -0.20 -0.04 2.15 2.05 2r92G1 GLN 153 HB3 0.11 -0.00 -0.14 -0.04 2.02 1.95 2r92G1 GLN 153 HG2 0.06 -0.03 -0.47 -0.04 2.40 1.93 2r92G1 GLN 153 HG3 0.04 -0.04 -0.05 -0.04 2.39 2.29 2r92G1 GLN 153 HE21 0.01 -0.01 -0.06 -0.04 6.97 6.87 2r92G1 GLN 153 HE22 0.03 -0.01 -0.06 -0.04 7.69 7.61 2r92G1 VAL 154 H 0.01 0.10 0.10 -0.55 8.24 7.90 2r92G1 VAL 154 HA -0.01 0.02 0.36 -0.75 4.13 3.75 2r92G1 VAL 154 HB 0.01 0.00 0.00 -0.04 2.12 2.09 2r92G1 VAL 154 HG13 -0.00 0.04 0.04 -0.04 0.97 1.01 2r92G1 VAL 154 HG23 0.02 -0.01 -0.05 -0.04 0.95 0.86 2r92G1 SER 155 H -0.02 0.08 0.11 -0.55 8.46 8.08 2r92G1 SER 155 HA -0.11 0.22 0.84 -0.75 4.49 4.68 2r92G1 SER 155 HB2 -0.09 0.11 0.18 -0.04 3.95 4.10 2r92G1 SER 155 HB3 -0.05 -0.05 0.06 -0.04 3.93 3.85 2r92G1 SER 156 H -0.08 0.60 -0.03 -0.55 8.46 8.39 2r92G1 SER 156 HA -0.17 0.10 0.40 -0.75 4.49 4.07 2r92G1 SER 156 HB2 -0.06 -0.08 0.09 -0.04 3.95 3.85 2r92G1 SER 156 HB3 0.02 0.18 0.07 -0.04 3.93 4.16 2r92G1 ILE 157 H 0.13 0.27 0.12 -0.55 8.25 8.23 2r92G1 ILE 157 HA 0.02 0.11 0.84 -0.75 4.18 4.39 2r92G1 ILE 157 HB 0.12 -0.01 0.07 -0.04 1.89 2.02 2r92G1 ILE 157 HG12 0.03 -0.03 0.05 -0.04 1.49 1.49 2r92G1 ILE 157 HG13 0.22 -0.04 -0.59 -0.04 1.21 0.77 2r92G1 ILE 157 HG23 -0.05 -0.01 -0.25 -0.04 0.93 0.57 2r92G1 ILE 157 HD13 0.02 0.04 0.03 -0.04 0.88 0.93 2r92G1 HIS 158 H 0.09 0.46 0.22 -0.55 8.41 8.63 2r92G1 HIS 158 HA 0.06 0.29 1.03 -0.75 4.63 5.26 2r92G1 HIS 158 HB2 0.04 0.00 0.09 -0.04 3.26 3.36 2r92G1 HIS 158 HB3 0.06 -0.01 0.13 -0.04 3.20 3.34 2r92G1 HIS 158 HD2 0.04 0.01 -0.12 -0.04 6.97 6.85 2r92G1 HIS 158 HE1 0.05 0.01 -0.02 -0.04 7.75 7.75 2r92G1 ALA 159 H 0.18 0.39 0.33 -0.55 8.40 8.76 2r92G1 ALA 159 HA 0.08 0.04 0.66 -0.75 4.34 4.38 2r92G1 ALA 159 HB3 0.04 0.06 -0.07 -0.04 1.41 1.40 2r92G1 ILE 160 H 0.06 0.34 0.31 -0.55 8.25 8.41 2r92G1 ILE 160 HA 0.05 0.40 1.18 -0.75 4.18 5.05 2r92G1 ILE 160 HB 0.02 -0.07 0.18 -0.04 1.89 1.99 2r92G1 ILE 160 HG12 0.17 0.08 -0.04 -0.04 1.49 1.66 2r92G1 ILE 160 HG13 0.10 -0.08 -0.07 -0.04 1.21 1.12 2r92G1 ILE 160 HG23 -0.09 0.05 0.07 -0.04 0.93 0.91 2r92G1 ILE 160 HD13 0.08 -0.01 -0.03 -0.04 0.88 0.89 2r92G1 GLY 161 H -0.04 0.49 0.26 -0.55 8.43 8.59 2r92G1 GLY 161 HA2 0.01 -0.05 1.17 -0.51 4.01 4.63 2r92G1 GLY 161 HA3 0.03 0.01 0.14 -0.51 4.01 3.68 2r92G1 SER 162 H 0.01 0.51 0.40 -0.55 8.46 8.83 2r92G1 SER 162 HA -0.05 0.26 1.06 -0.75 4.49 5.00 2r92G1 SER 162 HB2 -0.01 -0.03 0.25 -0.04 3.95 4.11 2r92G1 SER 162 HB3 -0.02 0.01 0.08 -0.04 3.93 3.95 2r92G1 ILE 163 H -0.01 0.56 0.32 -0.55 8.25 8.58 2r92G1 ILE 163 HA 0.04 0.14 0.72 -0.75 4.18 4.33 2r92G1 ILE 163 HB 0.07 0.07 0.02 -0.04 1.89 2.01 2r92G1 ILE 163 HG12 0.01 0.01 -0.02 -0.04 1.49 1.44 2r92G1 ILE 163 HG13 0.03 0.00 -0.06 -0.04 1.21 1.14 2r92G1 ILE 163 HG23 0.12 0.02 -0.22 -0.04 0.93 0.81 2r92G1 ILE 163 HD13 0.23 -0.01 -0.09 -0.04 0.88 0.97 2r92G1 LYS 164 H 0.01 0.05 0.10 -0.55 8.42 8.03 2r92G1 LYS 164 HA 0.01 0.15 0.56 -0.75 4.32 4.29 2r92G1 LYS 164 HB2 -0.00 0.11 -0.14 -0.04 1.87 1.80 2r92G1 LYS 164 HB3 0.01 -0.06 -0.04 -0.04 1.79 1.66 2r92G1 LYS 164 HG2 0.01 -0.07 0.10 -0.04 1.46 1.46 2r92G1 LYS 164 HG3 0.01 0.20 -0.16 -0.04 1.46 1.47 2r92G1 LYS 164 HD2 0.01 -0.07 0.02 -0.04 1.69 1.61 2r92G1 LYS 164 HD3 0.01 0.07 -0.03 -0.04 1.68 1.69 2r92G1 LYS 164 HE2 0.01 -0.02 -0.05 -0.04 2.99 2.88 2r92G1 LYS 164 HE3 0.01 -0.04 -0.01 -0.04 2.99 2.90 2r92G1 GLU 165 H 0.02 -0.02 -0.30 -0.55 8.60 7.76 2r92G1 GLU 165 HA 0.02 0.11 0.59 -0.75 4.29 4.26 2r92G1 GLU 165 HB2 0.05 0.15 -0.04 -0.04 2.09 2.21 2r92G1 GLU 165 HB3 0.05 -0.11 0.15 -0.04 1.99 2.04 2r92G1 GLU 165 HG2 0.03 -0.11 -0.06 -0.04 2.34 2.15 2r92G1 GLU 165 HG3 0.03 0.04 -0.03 -0.04 2.34 2.34 2r92G1 ASP 166 H 0.06 0.07 0.08 -0.55 8.40 8.06 2r92G1 ASP 166 HA -0.09 0.19 0.69 -0.75 4.63 4.67 2r92G1 ASP 166 HB2 0.08 -0.00 0.07 -0.04 2.71 2.82 2r92G1 ASP 166 HB3 -0.48 -0.03 0.07 -0.04 2.70 2.23 2r92G1 TYR 167 H -0.40 0.11 0.09 -0.55 8.29 7.54 2r92G1 TYR 167 HA 0.01 0.01 0.26 -0.75 4.56 4.08 2r92G1 TYR 167 HB2 0.01 0.11 -0.05 -0.04 3.06 3.09 2r92G1 TYR 167 HB3 0.00 0.01 0.13 -0.04 2.98 3.08 2r92G1 TYR 167 HD2 0.00 0.03 -0.18 -0.04 7.15 6.96 2r92G1 TYR 167 HE2 0.00 0.00 -0.03 -0.04 6.85 6.79 2r92G1 LEU 168 H 0.03 0.14 -0.63 -0.55 8.37 7.36 2r92G1 LEU 168 HA 0.06 0.16 0.75 -0.75 4.35 4.57 2r92G1 LEU 168 HB2 0.05 -0.01 -0.29 -0.04 1.64 1.35 2r92G1 LEU 168 HB3 0.05 -0.04 0.02 -0.04 1.64 1.62 2r92G1 LEU 168 HG 0.08 0.13 -0.31 -0.04 1.64 1.50 2r92G1 LEU 168 HD13 0.05 -0.04 -0.10 -0.04 0.93 0.79 2r92G1 LEU 168 HD23 0.05 0.01 -0.08 -0.04 0.89 0.82 2r92G1 GLY 169 H 0.04 0.31 0.11 -0.55 8.43 8.34 2r92G1 GLY 169 HA2 0.05 0.03 0.34 -0.51 4.01 3.91 2r92G1 GLY 169 HA3 0.03 0.02 0.54 -0.51 4.01 4.08 2r92G1 ALA 170 H 0.01 0.06 0.06 -0.55 8.40 7.98 2r92G1 ALA 170 HA -0.02 0.29 0.79 -0.75 4.34 4.65 2r92G1 ALA 170 HB3 -0.01 -0.02 0.05 -0.04 1.41 1.39 2r92G1 ILE 171 H -0.01 0.29 0.08 -0.55 8.25 8.06 2r92G1 ILE 171 HA 0.01 0.18 0.50 -0.75 4.18 4.11 2r92G1 ILE 171 HB -0.00 -0.02 0.00 -0.04 1.89 1.83 2r92G1 ILE 171 HG12 -0.01 -0.07 -0.70 -0.04 1.49 0.68 2r92G1 ILE 171 HG13 -0.01 0.08 -0.07 -0.04 1.21 1.17 2r92G1 ILE 171 HG23 0.01 0.03 -0.08 -0.04 0.93 0.85 2r92G1 ILE 171 HD13 -0.01 0.03 -0.26 -0.04 0.88 0.60