============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. HIS 1 0.900 39.848 61.272 93.334 -99.200 -91.000 PHE 11 1.000 40.702 50.670 88.705 -99.200 -91.000 PHE 32 1.000 51.490 61.625 127.621 -99.200 -91.000 HIS 44 0.900 61.741 61.720 119.357 -99.200 -91.000 TYR 48 0.840 57.434 56.984 123.268 -99.200 -91.000 HIS 52 0.900 59.048 53.188 123.055 -99.200 -91.000 HIS 54 0.900 52.948 53.678 123.299 -99.200 -91.000 PHE 58 1.000 50.594 55.559 114.332 -99.200 -91.000 HIS 60 0.900 41.540 58.448 116.669 -99.200 -91.000 PHE 63 1.000 45.358 56.169 104.086 -99.200 -91.000 PHE 65 1.000 43.757 52.776 99.719 -99.200 -91.000 HIS 66 0.900 36.938 52.426 91.763 -99.200 -91.000 PHE 72 1.000 44.134 35.293 91.167 -99.200 -91.000 TRP 77 1.040 42.252 44.082 99.748 -99.200 -91.000 TRP6 77 1.020 43.386 45.010 97.886 -99.200 -91.000 PHE 78 1.000 36.137 42.088 99.347 -99.200 -91.000 HIS 80 0.900 44.172 41.630 105.422 -99.200 -91.000 TYR 85 0.840 36.797 44.559 102.647 -99.200 -91.000 TYR 92 0.840 21.741 41.889 93.630 -99.200 -91.000 TYR 97 0.840 36.842 38.373 76.710 -99.200 -91.000 PHE 99 1.000 36.913 36.281 82.327 -99.200 -91.000 TYR 100 0.840 46.663 37.916 86.431 -99.200 -91.000 TYR 110 0.840 57.582 29.247 90.128 -99.200 -91.000 TYR 131 0.840 32.049 37.151 78.958 -99.200 -91.000 TYR 134 0.840 27.935 35.650 82.601 -99.200 -91.000 TYR 156 0.840 41.417 42.141 86.261 -99.200 -91.000 PHE 159 1.000 38.267 45.370 96.525 -99.200 -91.000 PHE 160 1.000 33.780 52.761 95.403 -99.200 -91.000 TRP 161 1.040 40.044 47.647 102.183 -99.200 -91.000 TRP6 161 1.020 42.406 47.814 102.125 -99.200 -91.000 PHE 171 1.000 46.236 44.750 102.062 -99.200 -91.000 HIS 179 0.900 57.158 34.142 103.850 -99.200 -91.000 TRP 182 1.040 54.624 38.706 91.439 -99.200 -91.000 TRP6 182 1.020 53.348 39.442 89.593 -99.200 -91.000 TYR 187 0.840 45.619 44.431 92.687 -99.200 -91.000 PHE 195 1.000 50.560 54.125 105.666 -99.200 -91.000 TRP 201 1.040 56.622 63.423 109.049 -99.200 -91.000 TRP6 201 1.020 55.806 65.119 110.479 -99.200 -91.000 PHE 203 1.000 55.772 53.436 103.443 -99.200 -91.000 PHE 206 1.000 54.272 49.229 108.470 -99.200 -91.000 TYR 209 0.840 61.902 53.349 114.673 -99.200 -91.000 TYR 211 0.840 57.485 45.617 105.673 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1o26B1 HIS 0 HA 0.01 -0.10 0.22 -0.75 4.63 4.00 1o26B1 HIS 0 HB2 0.01 -0.09 -0.02 -0.04 3.26 3.13 1o26B1 HIS 0 HB3 0.03 0.24 0.03 -0.04 3.20 3.46 1o26B1 HIS 0 HD2 0.01 -0.06 0.01 -0.04 6.97 6.89 1o26B1 HIS 0 HE1 -0.02 0.00 0.09 -0.04 7.75 7.78 1o26B1 MET 1 H 0.12 0.07 0.12 -0.55 8.47 8.23 1o26B1 MET 1 HA 0.05 0.03 0.45 -0.75 4.52 4.30 1o26B1 MET 1 HB2 0.10 -0.07 0.20 -0.04 2.15 2.34 1o26B1 MET 1 HB3 0.09 0.01 -0.01 -0.04 2.03 2.07 1o26B1 MET 1 HG2 0.04 0.03 0.05 -0.04 2.63 2.71 1o26B1 MET 1 HG3 0.06 0.00 0.08 -0.04 2.56 2.66 1o26B1 MET 1 HE3 0.05 0.01 -0.08 -0.04 2.10 2.04 1o26B1 LYS 2 H 0.04 0.20 0.25 -0.55 8.42 8.36 1o26B1 LYS 2 HA 0.07 0.23 0.98 -0.75 4.32 4.84 1o26B1 LYS 2 HB2 -0.02 0.11 -0.13 -0.04 1.87 1.79 1o26B1 LYS 2 HB3 -0.03 -0.02 0.13 -0.04 1.79 1.83 1o26B1 LYS 2 HG2 -0.10 -0.06 -0.30 -0.04 1.46 0.96 1o26B1 LYS 2 HG3 -0.14 -0.02 -0.16 -0.04 1.46 1.11 1o26B1 LYS 2 HD2 -0.33 0.01 -0.10 -0.04 1.69 1.24 1o26B1 LYS 2 HD3 -0.20 0.00 -0.07 -0.04 1.68 1.37 1o26B1 LYS 2 HE2 -0.42 -0.01 -0.13 -0.04 2.99 2.39 1o26B1 LYS 2 HE3 -1.61 -0.03 -0.16 -0.04 2.99 1.15 1o26B1 ILE 3 H 0.09 0.73 0.33 -0.55 8.25 8.85 1o26B1 ILE 3 HA 0.03 0.14 0.96 -0.75 4.18 4.55 1o26B1 ILE 3 HB 0.05 -0.05 0.13 -0.04 1.89 1.98 1o26B1 ILE 3 HG12 0.03 0.04 -0.10 -0.04 1.49 1.42 1o26B1 ILE 3 HG13 0.07 -0.07 -0.24 -0.04 1.21 0.93 1o26B1 ILE 3 HG23 -0.01 0.03 -0.07 -0.04 0.93 0.84 1o26B1 ILE 3 HD13 0.05 0.00 -0.03 -0.04 0.88 0.86 1o26B1 ASP 4 H 0.02 0.14 0.16 -0.55 8.40 8.17 1o26B1 ASP 4 HA 0.07 0.20 0.73 -0.75 4.63 4.88 1o26B1 ASP 4 HB2 0.01 -0.06 0.10 -0.04 2.71 2.72 1o26B1 ASP 4 HB3 0.03 0.10 -0.04 -0.04 2.70 2.75 1o26B1 ILE 5 H -0.02 0.66 -0.07 -0.55 8.25 8.27 1o26B1 ILE 5 HA -0.16 0.16 0.82 -0.75 4.18 4.25 1o26B1 ILE 5 HB -0.64 -0.06 -0.17 -0.04 1.89 0.97 1o26B1 ILE 5 HG12 -0.16 0.07 -0.40 -0.04 1.49 0.96 1o26B1 ILE 5 HG13 -0.54 -0.03 -0.23 -0.04 1.21 0.37 1o26B1 ILE 5 HG23 -0.85 -0.01 -0.15 -0.04 0.93 -0.12 1o26B1 ILE 5 HD13 -0.18 0.11 -0.32 -0.04 0.88 0.45 1o26B1 LEU 6 H -0.08 0.13 0.09 -0.55 8.37 7.96 1o26B1 LEU 6 HA 0.20 0.04 0.32 -0.75 4.35 4.15 1o26B1 LEU 6 HB2 0.17 0.08 0.13 -0.04 1.64 1.98 1o26B1 LEU 6 HB3 0.24 -0.12 0.24 -0.04 1.64 1.96 1o26B1 LEU 6 HG -0.18 0.01 -0.20 -0.04 1.64 1.23 1o26B1 LEU 6 HD13 -0.42 -0.00 0.02 -0.04 0.93 0.48 1o26B1 LEU 6 HD23 -0.05 0.01 0.07 -0.04 0.89 0.88 1o26B1 ASP 7 H 0.43 0.02 0.20 -0.55 8.40 8.50 1o26B1 ASP 7 HA 0.14 0.26 0.83 -0.75 4.63 5.11 1o26B1 ASP 7 HB2 0.13 0.06 0.13 -0.04 2.71 2.98 1o26B1 ASP 7 HB3 0.20 -0.00 0.09 -0.04 2.70 2.94 1o26B1 LYS 8 H 0.18 -0.11 0.12 -0.55 8.42 8.04 1o26B1 LYS 8 HA -0.07 0.25 0.80 -0.75 4.32 4.54 1o26B1 LYS 8 HB2 -0.89 -0.06 -0.10 -0.04 1.87 0.78 1o26B1 LYS 8 HB3 -0.33 0.02 0.09 -0.04 1.79 1.53 1o26B1 LYS 8 HG2 -0.03 0.17 -0.17 -0.04 1.46 1.39 1o26B1 LYS 8 HG3 0.07 -0.17 -0.37 -0.04 1.46 0.95 1o26B1 LYS 8 HD2 -0.02 -0.05 -0.07 -0.04 1.69 1.51 1o26B1 LYS 8 HD3 -0.10 0.01 -0.01 -0.04 1.68 1.54 1o26B1 LYS 8 HE2 -0.04 0.01 0.06 -0.04 2.99 2.98 1o26B1 LYS 8 HE3 0.01 0.02 0.00 -0.04 2.99 2.98 1o26B1 GLY 9 H 0.05 0.07 0.12 -0.55 8.43 8.12 1o26B1 GLY 9 HA2 -0.24 0.09 0.56 -0.51 4.01 3.91 1o26B1 GLY 9 HA3 0.15 0.00 0.40 -0.51 4.01 4.05 1o26B1 PHE 10 H -0.28 0.44 0.44 -0.55 8.34 8.38 1o26B1 PHE 10 HA -0.06 0.14 0.61 -0.75 4.62 4.55 1o26B1 PHE 10 HB2 -0.05 0.02 -0.03 -0.04 3.15 3.05 1o26B1 PHE 10 HB3 -0.07 0.13 -0.11 -0.04 3.06 2.97 1o26B1 PHE 10 HD2 -0.14 0.08 -0.39 -0.04 7.28 6.79 1o26B1 PHE 10 HE2 -0.52 0.01 -0.20 -0.04 7.38 6.63 1o26B1 PHE 10 HZ -0.45 -0.01 -0.16 -0.04 7.32 6.66 1o26B1 VAL 11 H 0.22 0.63 0.32 -0.55 8.24 8.85 1o26B1 VAL 11 HA 0.15 0.18 0.93 -0.75 4.13 4.63 1o26B1 VAL 11 HB 0.14 -0.03 0.11 -0.04 2.12 2.30 1o26B1 VAL 11 HG13 0.20 -0.01 -0.20 -0.04 0.97 0.92 1o26B1 VAL 11 HG23 0.28 -0.01 -0.13 -0.04 0.95 1.05 1o26B1 GLU 12 H 0.26 0.66 0.35 -0.55 8.60 9.33 1o26B1 GLU 12 HA 0.16 0.34 1.12 -0.75 4.29 5.16 1o26B1 GLU 12 HB2 0.02 -0.04 -0.06 -0.04 2.09 1.97 1o26B1 GLU 12 HB3 0.23 -0.05 0.12 -0.04 1.99 2.24 1o26B1 GLU 12 HG2 0.07 -0.01 -0.41 -0.04 2.34 1.95 1o26B1 GLU 12 HG3 0.10 0.20 -0.15 -0.04 2.34 2.45 1o26B1 LEU 13 H 0.15 0.60 0.23 -0.55 8.37 8.80 1o26B1 LEU 13 HA -0.04 0.05 0.82 -0.75 4.35 4.43 1o26B1 LEU 13 HB2 0.12 -0.03 0.08 -0.04 1.64 1.77 1o26B1 LEU 13 HB3 0.09 -0.04 0.19 -0.04 1.64 1.84 1o26B1 LEU 13 HG -0.05 0.01 -0.32 -0.04 1.64 1.24 1o26B1 LEU 13 HD13 -0.28 0.03 0.03 -0.04 0.93 0.67 1o26B1 LEU 13 HD23 0.07 -0.01 -0.07 -0.04 0.89 0.84 1o26B1 VAL 14 H -0.11 0.67 0.48 -0.55 8.24 8.73 1o26B1 VAL 14 HA -0.41 0.16 0.75 -0.75 4.13 3.87 1o26B1 VAL 14 HB -0.06 -0.01 0.04 -0.04 2.12 2.05 1o26B1 VAL 14 HG13 -0.15 -0.02 -0.12 -0.04 0.97 0.64 1o26B1 VAL 14 HG23 0.17 -0.01 -0.21 -0.04 0.95 0.86 1o26B1 ASP 15 H -0.15 0.37 0.37 -0.55 8.40 8.44 1o26B1 ASP 15 HA -0.07 0.15 0.61 -0.75 4.63 4.56 1o26B1 ASP 15 HB2 -0.10 0.02 -0.38 -0.04 2.71 2.21 1o26B1 ASP 15 HB3 -0.12 -0.05 -0.10 -0.04 2.70 2.40 1o26B1 VAL 16 H -0.13 0.32 0.23 -0.55 8.24 8.11 1o26B1 VAL 16 HA -0.34 0.26 0.92 -0.75 4.13 4.22 1o26B1 VAL 16 HB -0.21 -0.03 0.03 -0.04 2.12 1.87 1o26B1 VAL 16 HG13 -0.73 0.02 -0.09 -0.04 0.97 0.13 1o26B1 VAL 16 HG23 -0.17 -0.03 -0.21 -0.04 0.95 0.50 1o26B1 MET 17 H -0.29 0.69 0.38 -0.55 8.47 8.70 1o26B1 MET 17 HA -0.12 0.12 1.00 -0.75 4.52 4.77 1o26B1 MET 17 HB2 -0.10 0.01 0.01 -0.04 2.15 2.02 1o26B1 MET 17 HB3 -0.12 -0.03 0.18 -0.04 2.03 2.03 1o26B1 MET 17 HG2 -0.06 0.04 -0.13 -0.04 2.63 2.43 1o26B1 MET 17 HG3 -0.07 -0.03 0.10 -0.04 2.56 2.52 1o26B1 MET 17 HE3 -0.03 0.00 -0.02 -0.04 2.10 2.01 1o26B1 GLY 18 H -0.09 0.10 0.15 -0.55 8.43 8.05 1o26B1 GLY 18 HA2 -0.06 -0.04 0.41 -0.51 4.01 3.81 1o26B1 GLY 18 HA3 -0.06 0.22 0.69 -0.51 4.01 4.36 1o26B1 ASN 19 H -0.03 0.09 0.25 -0.55 8.53 8.30 1o26B1 ASN 19 HA -0.04 0.29 0.52 -0.75 4.76 4.78 1o26B1 ASN 19 HB2 -0.13 -0.05 0.28 -0.04 2.88 2.94 1o26B1 ASN 19 HB3 -0.09 0.27 0.02 -0.04 2.79 2.94 1o26B1 ASN 19 HD21 -0.07 0.02 -0.03 -0.04 7.03 6.90 1o26B1 ASN 19 HD22 -0.08 0.16 -0.07 -0.04 7.74 7.70 1o26B1 ASP 20 H -0.10 0.30 0.23 -0.55 8.40 8.28 1o26B1 ASP 20 HA 0.17 0.11 0.40 -0.75 4.63 4.56 1o26B1 ASP 20 HB2 -0.31 0.04 0.13 -0.04 2.71 2.53 1o26B1 ASP 20 HB3 0.32 0.05 0.06 -0.04 2.70 3.09 1o26B1 LEU 21 H -0.06 0.13 -0.22 -0.55 8.37 7.67 1o26B1 LEU 21 HA 0.10 0.07 0.42 -0.75 4.35 4.19 1o26B1 LEU 21 HB2 -0.02 0.04 0.01 -0.04 1.64 1.63 1o26B1 LEU 21 HB3 0.02 0.04 0.03 -0.04 1.64 1.69 1o26B1 LEU 21 HG -0.13 -0.04 0.04 -0.04 1.64 1.47 1o26B1 LEU 21 HD13 -0.02 0.03 -0.01 -0.04 0.93 0.90 1o26B1 LEU 21 HD23 0.20 0.00 -0.07 -0.04 0.89 0.97 1o26B1 SER 22 H 0.00 0.24 -0.27 -0.55 8.46 7.89 1o26B1 SER 22 HA -0.02 0.07 0.42 -0.75 4.49 4.20 1o26B1 SER 22 HB2 0.03 0.17 0.11 -0.04 3.95 4.22 1o26B1 SER 22 HB3 0.01 0.12 -0.00 -0.04 3.93 4.01 1o26B1 ALA 23 H 0.03 0.26 -0.21 -0.55 8.40 7.93 1o26B1 ALA 23 HA -0.09 0.22 0.39 -0.75 4.34 4.10 1o26B1 ALA 23 HB3 -0.27 0.03 -0.03 -0.04 1.41 1.09 1o26B1 VAL 24 H 0.04 0.24 -0.23 -0.55 8.24 7.75 1o26B1 VAL 24 HA 0.04 0.07 0.38 -0.75 4.13 3.85 1o26B1 VAL 24 HB 0.08 0.07 0.16 -0.04 2.12 2.40 1o26B1 VAL 24 HG13 0.07 -0.02 -0.11 -0.04 0.97 0.87 1o26B1 VAL 24 HG23 0.19 0.04 0.01 -0.04 0.95 1.15 1o26B1 ARG 25 H 0.00 0.58 -0.10 -0.55 8.46 8.40 1o26B1 ARG 25 HA 0.01 0.03 0.29 -0.75 4.34 3.91 1o26B1 ARG 25 HB2 -0.01 -0.06 0.08 -0.04 1.90 1.87 1o26B1 ARG 25 HB3 -0.04 0.10 0.11 -0.04 1.80 1.93 1o26B1 ARG 25 HG2 -0.05 0.06 -0.13 -0.04 1.67 1.50 1o26B1 ARG 25 HG3 -0.02 -0.01 0.07 -0.04 1.67 1.67 1o26B1 ARG 25 HD2 -0.01 -0.09 0.01 -0.04 3.22 3.08 1o26B1 ARG 25 HD3 -0.04 0.01 -0.01 -0.04 3.22 3.14 1o26B1 ALA 26 H -0.06 0.45 -0.23 -0.55 8.40 8.01 1o26B1 ALA 26 HA -0.12 0.04 0.42 -0.75 4.34 3.92 1o26B1 ALA 26 HB3 -0.13 0.01 0.12 -0.04 1.41 1.37 1o26B1 ALA 27 H -0.02 0.41 -0.31 -0.55 8.40 7.94 1o26B1 ALA 27 HA 0.03 0.05 0.57 -0.75 4.34 4.24 1o26B1 ALA 27 HB3 0.06 0.01 0.09 -0.04 1.41 1.52 1o26B1 ARG 28 H 0.05 0.55 -0.05 -0.55 8.46 8.46 1o26B1 ARG 28 HA 0.31 -0.00 0.34 -0.75 4.34 4.23 1o26B1 ARG 28 HB2 0.05 0.06 -0.05 -0.04 1.90 1.92 1o26B1 ARG 28 HB3 0.10 -0.14 -0.32 -0.04 1.80 1.39 1o26B1 ARG 28 HG2 0.08 -0.04 0.00 -0.04 1.67 1.67 1o26B1 ARG 28 HG3 0.05 0.01 -0.12 -0.04 1.67 1.57 1o26B1 ARG 28 HD2 0.04 0.04 -0.06 -0.04 3.22 3.20 1o26B1 ARG 28 HD3 0.08 -0.04 -0.03 -0.04 3.22 3.19 1o26B1 VAL 29 H -0.01 0.36 -0.39 -0.55 8.24 7.66 1o26B1 VAL 29 HA -0.01 0.07 0.39 -0.75 4.13 3.82 1o26B1 VAL 29 HB -0.04 0.09 0.12 -0.04 2.12 2.25 1o26B1 VAL 29 HG13 -0.06 0.07 -0.10 -0.04 0.97 0.85 1o26B1 VAL 29 HG23 -0.04 -0.02 0.04 -0.04 0.95 0.89 1o26B1 SER 30 H -0.16 0.40 -0.51 -0.55 8.46 7.65 1o26B1 SER 30 HA -0.23 0.02 0.38 -0.75 4.49 3.90 1o26B1 SER 30 HB2 -0.96 0.10 0.10 -0.04 3.95 3.15 1o26B1 SER 30 HB3 -0.73 -0.05 0.03 -0.04 3.93 3.13 1o26B1 PHE 31 H -0.12 0.47 -0.25 -0.55 8.34 7.89 1o26B1 PHE 31 HA -0.00 0.17 0.78 -0.75 4.62 4.81 1o26B1 PHE 31 HB2 -0.02 -0.00 0.04 -0.04 3.15 3.13 1o26B1 PHE 31 HB3 -0.01 -0.03 0.12 -0.04 3.06 3.10 1o26B1 PHE 31 HD2 -0.01 0.04 -0.00 -0.04 7.28 7.26 1o26B1 PHE 31 HE2 -0.01 -0.00 -0.07 -0.04 7.38 7.26 1o26B1 PHE 31 HZ 0.01 -0.01 -0.04 -0.04 7.32 7.24 1o26B1 ASP 32 H -0.01 0.53 -0.42 -0.55 8.40 7.95 1o26B1 ASP 32 HA 0.01 0.04 0.33 -0.75 4.63 4.26 1o26B1 ASP 32 HB2 0.02 -0.01 -0.11 -0.04 2.71 2.57 1o26B1 ASP 32 HB3 0.04 0.14 0.07 -0.04 2.70 2.91 1o26B1 MET 33 H 0.08 0.37 -0.23 -0.55 8.47 8.15 1o26B1 MET 33 HA 0.04 0.17 0.80 -0.75 4.52 4.77 1o26B1 MET 33 HB2 0.11 0.00 -0.07 -0.04 2.15 2.15 1o26B1 MET 33 HB3 0.04 -0.11 0.05 -0.04 2.03 1.97 1o26B1 MET 33 HG2 0.04 0.04 -0.15 -0.04 2.63 2.53 1o26B1 MET 33 HG3 0.13 0.21 -0.36 -0.04 2.56 2.50 1o26B1 MET 33 HE3 -0.10 -0.01 -0.03 -0.04 2.10 1.92 1o26B1 GLY 34 H 0.02 0.14 -0.01 -0.55 8.43 8.04 1o26B1 GLY 34 HA2 0.02 0.21 0.78 -0.51 4.01 4.50 1o26B1 GLY 34 HA3 0.01 -0.02 0.34 -0.51 4.01 3.83 1o26B1 LEU 35 H 0.02 0.11 0.11 -0.55 8.37 8.06 1o26B1 LEU 35 HA 0.04 0.07 0.49 -0.75 4.35 4.20 1o26B1 LEU 35 HB2 0.02 0.05 0.04 -0.04 1.64 1.72 1o26B1 LEU 35 HB3 0.05 -0.06 -0.04 -0.04 1.64 1.55 1o26B1 LEU 35 HG 0.02 0.01 0.00 -0.04 1.64 1.63 1o26B1 LEU 35 HD13 0.02 0.00 -0.03 -0.04 0.93 0.89 1o26B1 LEU 35 HD23 0.06 0.01 -0.03 -0.04 0.89 0.90 1o26B1 LYS 36 H 0.04 -0.00 0.02 -0.55 8.42 7.93 1o26B1 LYS 36 HA 0.02 0.28 0.90 -0.75 4.32 4.76 1o26B1 LYS 36 HB2 0.01 -0.17 0.17 -0.04 1.87 1.84 1o26B1 LYS 36 HB3 0.00 0.02 0.06 -0.04 1.79 1.84 1o26B1 LYS 36 HG2 -0.00 0.09 -0.09 -0.04 1.46 1.41 1o26B1 LYS 36 HG3 0.01 0.08 -0.30 -0.04 1.46 1.20 1o26B1 LYS 36 HD2 -0.02 -0.05 -0.04 -0.04 1.69 1.54 1o26B1 LYS 36 HD3 -0.02 -0.01 -0.02 -0.04 1.68 1.58 1o26B1 LYS 36 HE2 -0.03 0.03 -0.05 -0.04 2.99 2.89 1o26B1 LYS 36 HE3 -0.03 0.05 -0.07 -0.04 2.99 2.90 1o26B1 ASP 37 H 0.03 0.16 0.22 -0.55 8.40 8.27 1o26B1 ASP 37 HA 0.05 0.28 0.82 -0.75 4.63 5.02 1o26B1 ASP 37 HB2 0.01 0.17 -0.13 -0.04 2.71 2.72 1o26B1 ASP 37 HB3 0.01 -0.19 0.09 -0.04 2.70 2.57 1o26B1 GLU 38 H 0.08 0.30 0.16 -0.55 8.60 8.59 1o26B1 GLU 38 HA 0.26 0.05 0.37 -0.75 4.29 4.21 1o26B1 GLU 38 HB2 0.17 0.06 0.16 -0.04 2.09 2.44 1o26B1 GLU 38 HB3 0.11 0.03 0.10 -0.04 1.99 2.19 1o26B1 GLU 38 HG2 0.21 0.03 -0.07 -0.04 2.34 2.47 1o26B1 GLU 38 HG3 0.71 -0.04 0.10 -0.04 2.34 3.07 1o26B1 GLU 39 H 0.01 0.04 -0.37 -0.55 8.60 7.73 1o26B1 GLU 39 HA -0.11 0.17 0.57 -0.75 4.29 4.17 1o26B1 GLU 39 HB2 -0.06 0.09 -0.01 -0.04 2.09 2.08 1o26B1 GLU 39 HB3 -0.03 0.06 0.06 -0.04 1.99 2.03 1o26B1 GLU 39 HG2 -0.00 -0.09 0.05 -0.04 2.34 2.25 1o26B1 GLU 39 HG3 -0.02 -0.14 0.07 -0.04 2.34 2.21 1o26B1 ARG 40 H -0.01 0.05 0.01 -0.55 8.46 7.96 1o26B1 ARG 40 HA 0.02 0.15 0.47 -0.75 4.34 4.23 1o26B1 ARG 40 HB2 0.00 -0.14 0.16 -0.04 1.90 1.88 1o26B1 ARG 40 HB3 -0.00 0.09 0.07 -0.04 1.80 1.92 1o26B1 ARG 40 HG2 -0.01 -0.10 0.08 -0.04 1.67 1.59 1o26B1 ARG 40 HG3 -0.02 0.08 0.04 -0.04 1.67 1.73 1o26B1 ARG 40 HD2 -0.02 0.07 0.02 -0.04 3.22 3.24 1o26B1 ARG 40 HD3 -0.04 -0.03 -0.07 -0.04 3.22 3.04 1o26B1 ASP 41 H 0.02 0.63 -0.12 -0.55 8.40 8.38 1o26B1 ASP 41 HA 0.05 0.11 0.49 -0.75 4.63 4.53 1o26B1 ASP 41 HB2 0.19 0.05 0.01 -0.04 2.71 2.92 1o26B1 ASP 41 HB3 0.24 -0.02 -0.03 -0.04 2.70 2.85 1o26B1 ARG 42 H -0.28 0.41 -0.18 -0.55 8.46 7.85 1o26B1 ARG 42 HA -0.51 -0.02 0.45 -0.75 4.34 3.51 1o26B1 ARG 42 HB2 -1.79 0.06 0.20 -0.04 1.90 0.33 1o26B1 ARG 42 HB3 -0.56 0.12 0.16 -0.04 1.80 1.47 1o26B1 ARG 42 HG2 -0.50 0.03 -0.09 -0.04 1.67 1.06 1o26B1 ARG 42 HG3 -1.39 -0.10 0.09 -0.04 1.67 0.23 1o26B1 ARG 42 HD2 -1.35 -0.02 0.04 -0.04 3.22 1.84 1o26B1 ARG 42 HD3 -0.50 0.04 0.01 -0.04 3.22 2.73 1o26B1 HIS 43 H -0.04 0.32 -0.36 -0.55 8.41 7.78 1o26B1 HIS 43 HA -0.07 0.06 0.43 -0.75 4.63 4.29 1o26B1 HIS 43 HB2 -0.08 0.05 0.11 -0.04 3.26 3.30 1o26B1 HIS 43 HB3 -0.07 0.12 0.13 -0.04 3.20 3.34 1o26B1 HIS 43 HD2 -0.07 -0.00 -0.05 -0.04 6.97 6.80 1o26B1 HIS 43 HE1 0.03 0.03 -0.01 -0.04 7.75 7.75 1o26B1 LEU 44 H -0.01 0.30 -0.29 -0.55 8.37 7.83 1o26B1 LEU 44 HA -0.14 0.06 0.45 -0.75 4.35 3.96 1o26B1 LEU 44 HB2 -0.03 0.05 0.13 -0.04 1.64 1.75 1o26B1 LEU 44 HB3 0.04 0.07 0.16 -0.04 1.64 1.87 1o26B1 LEU 44 HG 0.06 -0.02 -0.19 -0.04 1.64 1.44 1o26B1 LEU 44 HD13 -0.05 -0.01 0.03 -0.04 0.93 0.87 1o26B1 LEU 44 HD23 0.04 -0.01 -0.01 -0.04 0.89 0.86 1o26B1 ILE 45 H 0.07 0.38 -0.22 -0.55 8.25 7.94 1o26B1 ILE 45 HA 0.25 0.02 0.35 -0.75 4.18 4.04 1o26B1 ILE 45 HB 0.18 0.19 0.12 -0.04 1.89 2.34 1o26B1 ILE 45 HG12 0.32 -0.02 -0.01 -0.04 1.49 1.74 1o26B1 ILE 45 HG13 0.26 0.14 0.05 -0.04 1.21 1.62 1o26B1 ILE 45 HG23 0.39 -0.03 -0.26 -0.04 0.93 0.99 1o26B1 ILE 45 HD13 0.61 -0.04 -0.04 -0.04 0.88 1.37 1o26B1 GLU 46 H 0.02 0.36 -0.24 -0.55 8.60 8.19 1o26B1 GLU 46 HA -0.01 0.01 0.41 -0.75 4.29 3.94 1o26B1 GLU 46 HB2 -0.04 0.13 0.14 -0.04 2.09 2.29 1o26B1 GLU 46 HB3 -0.13 0.01 -0.01 -0.04 1.99 1.82 1o26B1 GLU 46 HG2 0.21 -0.02 0.04 -0.04 2.34 2.52 1o26B1 GLU 46 HG3 0.05 0.06 0.07 -0.04 2.34 2.48 1o26B1 TYR 47 H -0.06 0.44 -0.20 -0.55 8.29 7.92 1o26B1 TYR 47 HA -0.14 0.03 0.42 -0.75 4.56 4.12 1o26B1 TYR 47 HB2 -0.33 -0.00 0.10 -0.04 3.06 2.79 1o26B1 TYR 47 HB3 -0.19 0.10 0.20 -0.04 2.98 3.05 1o26B1 TYR 47 HD2 -0.10 0.01 -0.12 -0.04 7.15 6.90 1o26B1 TYR 47 HE2 -0.34 -0.00 -0.05 -0.04 6.85 6.41 1o26B1 LEU 48 H 0.14 0.63 -0.09 -0.55 8.37 8.51 1o26B1 LEU 48 HA -0.09 -0.01 0.40 -0.75 4.35 3.89 1o26B1 LEU 48 HB2 0.34 0.07 0.15 -0.04 1.64 2.17 1o26B1 LEU 48 HB3 0.34 0.13 0.05 -0.04 1.64 2.12 1o26B1 LEU 48 HG 0.16 0.20 0.02 -0.04 1.64 1.98 1o26B1 LEU 48 HD13 -0.04 -0.04 -0.10 -0.04 0.93 0.71 1o26B1 LEU 48 HD23 0.16 -0.01 0.01 -0.04 0.89 1.00 1o26B1 MET 49 H 0.10 0.53 -0.17 -0.55 8.47 8.38 1o26B1 MET 49 HA 0.11 -0.01 0.34 -0.75 4.52 4.20 1o26B1 MET 49 HB2 0.11 0.03 0.06 -0.04 2.15 2.31 1o26B1 MET 49 HB3 -0.01 0.10 0.06 -0.04 2.03 2.13 1o26B1 MET 49 HG2 0.18 -0.05 -0.67 -0.04 2.63 2.05 1o26B1 MET 49 HG3 0.15 0.03 -0.20 -0.04 2.56 2.50 1o26B1 MET 49 HE3 -0.30 0.01 -0.03 -0.04 2.10 1.74 1o26B1 LYS 50 H -0.35 0.57 -0.08 -0.55 8.42 8.01 1o26B1 LYS 50 HA -0.13 0.15 0.46 -0.75 4.32 4.04 1o26B1 LYS 50 HB2 -0.41 -0.03 0.11 -0.04 1.87 1.49 1o26B1 LYS 50 HB3 -0.93 -0.04 0.10 -0.04 1.79 0.88 1o26B1 LYS 50 HG2 -0.52 0.28 0.26 -0.04 1.46 1.44 1o26B1 LYS 50 HG3 -0.84 -0.02 -0.04 -0.04 1.46 0.52 1o26B1 LYS 50 HD2 -0.33 -0.03 -0.03 -0.04 1.69 1.26 1o26B1 LYS 50 HD3 -0.93 -0.02 -0.05 -0.04 1.68 0.64 1o26B1 LYS 50 HE2 -0.20 -0.06 -0.36 -0.04 2.99 2.33 1o26B1 LYS 50 HE3 -0.03 -0.02 -0.04 -0.04 2.99 2.85 1o26B1 HIS 51 H -0.20 0.32 -0.42 -0.55 8.41 7.56 1o26B1 HIS 51 HA -0.08 0.19 0.88 -0.75 4.63 4.87 1o26B1 HIS 51 HB2 -0.64 0.09 0.07 -0.04 3.26 2.74 1o26B1 HIS 51 HB3 -0.09 -0.08 0.12 -0.04 3.20 3.11 1o26B1 HIS 51 HD2 -0.10 0.00 0.02 -0.04 6.97 6.85 1o26B1 HIS 51 HE1 -0.12 -0.06 -0.02 -0.04 7.75 7.51 1o26B1 GLY 52 H 0.07 0.34 -0.29 -0.55 8.43 8.00 1o26B1 GLY 52 HA2 0.12 0.03 0.26 -0.51 4.01 3.92 1o26B1 GLY 52 HA3 0.11 0.06 0.44 -0.51 4.01 4.12 1o26B1 HIS 53 H 0.35 0.63 -0.04 -0.55 8.41 8.80 1o26B1 HIS 53 HA 0.10 0.07 0.64 -0.75 4.63 4.67 1o26B1 HIS 53 HB2 0.16 -0.03 0.24 -0.04 3.26 3.59 1o26B1 HIS 53 HB3 0.12 -0.07 0.08 -0.04 3.20 3.28 1o26B1 HIS 53 HD2 0.15 -0.03 -0.01 -0.04 6.97 7.04 1o26B1 HIS 53 HE1 -0.02 0.05 -0.04 -0.04 7.75 7.70 1o26B1 GLU 54 H 0.15 0.32 0.04 -0.55 8.60 8.56 1o26B1 GLU 54 HA 0.47 0.16 0.56 -0.75 4.29 4.72 1o26B1 GLU 54 HB2 0.12 0.04 0.04 -0.04 2.09 2.25 1o26B1 GLU 54 HB3 0.16 -0.08 -0.03 -0.04 1.99 2.00 1o26B1 GLU 54 HG2 0.14 -0.01 -0.11 -0.04 2.34 2.32 1o26B1 GLU 54 HG3 0.15 0.04 -0.27 -0.04 2.34 2.23 1o26B1 THR 55 H 0.10 0.14 -0.00 -0.55 8.28 7.97 1o26B1 THR 55 HA 0.06 0.03 0.30 -0.75 4.39 4.03 1o26B1 THR 55 HB 0.02 0.01 0.02 -0.04 4.32 4.34 1o26B1 THR 55 HG23 0.02 0.01 0.05 -0.04 1.22 1.26 1o26B1 PRO 56 HA 0.13 0.08 0.35 -0.51 4.44 4.49 1o26B1 PRO 56 HB2 -0.55 0.02 -0.04 -0.04 2.28 1.66 1o26B1 PRO 56 HB3 -0.14 0.14 0.08 -0.04 2.02 2.06 1o26B1 PRO 56 HG2 0.01 0.08 -0.04 -0.04 2.03 2.04 1o26B1 PRO 56 HG3 0.02 0.08 -0.13 -0.04 2.03 1.96 1o26B1 PRO 56 HD2 0.08 0.31 -0.47 -0.04 3.68 3.56 1o26B1 PRO 56 HD3 0.07 0.01 -0.11 -0.04 3.65 3.58 1o26B1 PHE 57 H 0.06 0.48 -0.39 -0.55 8.34 7.93 1o26B1 PHE 57 HA 0.12 0.03 0.49 -0.75 4.62 4.51 1o26B1 PHE 57 HB2 0.08 0.18 0.02 -0.04 3.15 3.39 1o26B1 PHE 57 HB3 0.12 -0.11 0.02 -0.04 3.06 3.05 1o26B1 PHE 57 HD2 0.15 0.03 0.03 -0.04 7.28 7.45 1o26B1 PHE 57 HE2 0.16 0.06 -0.06 -0.04 7.38 7.49 1o26B1 PHE 57 HZ 0.14 0.05 -0.00 -0.04 7.32 7.47 1o26B1 GLU 58 H 0.02 0.62 -0.31 -0.55 8.60 8.38 1o26B1 GLU 58 HA -0.00 -0.13 0.54 -0.75 4.29 3.94 1o26B1 GLU 58 HB2 -0.26 0.22 0.10 -0.04 2.09 2.11 1o26B1 GLU 58 HB3 -0.16 -0.01 0.09 -0.04 1.99 1.87 1o26B1 GLU 58 HG2 -0.01 -0.13 0.03 -0.04 2.34 2.19 1o26B1 GLU 58 HG3 0.02 0.05 0.04 -0.04 2.34 2.41 1o26B1 HIS 59 H 0.01 0.32 -0.41 -0.55 8.41 7.78 1o26B1 HIS 59 HA -0.01 0.14 0.53 -0.75 4.63 4.53 1o26B1 HIS 59 HB2 -0.02 0.08 -0.02 -0.04 3.26 3.26 1o26B1 HIS 59 HB3 -0.02 -0.05 0.09 -0.04 3.20 3.17 1o26B1 HIS 59 HD2 -0.04 0.10 0.09 -0.04 6.97 7.07 1o26B1 HIS 59 HE1 -0.02 0.00 -0.04 -0.04 7.75 7.65 1o26B1 ILE 60 H 0.09 0.27 -0.37 -0.55 8.25 7.68 1o26B1 ILE 60 HA -0.03 0.27 0.88 -0.75 4.18 4.55 1o26B1 ILE 60 HB 0.21 -0.03 0.18 -0.04 1.89 2.21 1o26B1 ILE 60 HG12 0.07 -0.04 -0.07 -0.04 1.49 1.41 1o26B1 ILE 60 HG13 0.14 -0.05 -0.09 -0.04 1.21 1.16 1o26B1 ILE 60 HG23 -0.03 0.01 -0.22 -0.04 0.93 0.66 1o26B1 ILE 60 HD13 0.30 -0.02 -0.11 -0.04 0.88 1.01 1o26B1 VAL 61 H -0.18 0.60 0.32 -0.55 8.24 8.43 1o26B1 VAL 61 HA -0.03 0.16 1.10 -0.75 4.13 4.61 1o26B1 VAL 61 HB -0.12 -0.06 0.02 -0.04 2.12 1.92 1o26B1 VAL 61 HG13 -0.10 0.00 -0.21 -0.04 0.97 0.63 1o26B1 VAL 61 HG23 -0.06 0.02 -0.30 -0.04 0.95 0.58 1o26B1 PHE 62 H 0.07 0.74 0.39 -0.55 8.34 8.99 1o26B1 PHE 62 HA -0.24 0.23 1.14 -0.75 4.62 5.00 1o26B1 PHE 62 HB2 -0.21 0.01 0.07 -0.04 3.15 2.97 1o26B1 PHE 62 HB3 -0.82 0.01 0.03 -0.04 3.06 2.25 1o26B1 PHE 62 HD2 -0.20 0.05 -0.10 -0.04 7.28 7.00 1o26B1 PHE 62 HE2 0.09 -0.01 -0.14 -0.04 7.38 7.28 1o26B1 PHE 62 HZ 0.39 -0.03 -0.10 -0.04 7.32 7.54 1o26B1 THR 63 H -0.24 0.60 0.38 -0.55 8.28 8.47 1o26B1 THR 63 HA -0.06 0.35 1.09 -0.75 4.39 5.02 1o26B1 THR 63 HB -0.10 -0.11 0.16 -0.04 4.32 4.22 1o26B1 THR 63 HG23 0.03 0.00 -0.15 -0.04 1.22 1.07 1o26B1 PHE 64 H 0.32 0.75 0.40 -0.55 8.34 9.26 1o26B1 PHE 64 HA 0.15 0.20 1.18 -0.75 4.62 5.39 1o26B1 PHE 64 HB2 0.34 -0.03 0.06 -0.04 3.15 3.48 1o26B1 PHE 64 HB3 0.17 0.03 0.03 -0.04 3.06 3.24 1o26B1 PHE 64 HD2 0.08 0.08 -0.15 -0.04 7.28 7.25 1o26B1 PHE 64 HE2 -0.17 0.00 -0.11 -0.04 7.38 7.06 1o26B1 PHE 64 HZ -0.43 0.01 -0.09 -0.04 7.32 6.77 1o26B1 HIS 65 H 0.31 0.78 0.40 -0.55 8.41 9.36 1o26B1 HIS 65 HA -0.26 0.21 0.95 -0.75 4.63 4.77 1o26B1 HIS 65 HB2 0.14 -0.01 -0.03 -0.04 3.26 3.33 1o26B1 HIS 65 HB3 0.11 -0.02 0.14 -0.04 3.20 3.39 1o26B1 HIS 65 HD2 -0.79 0.11 -0.04 -0.04 6.97 6.21 1o26B1 HIS 65 HE1 0.10 0.00 -0.10 -0.04 7.75 7.70 1o26B1 VAL 66 H -0.63 0.76 0.36 -0.55 8.24 8.19 1o26B1 VAL 66 HA -0.48 0.30 1.21 -0.75 4.13 4.41 1o26B1 VAL 66 HB -2.39 -0.03 0.00 -0.04 2.12 -0.34 1o26B1 VAL 66 HG13 -0.78 0.00 -0.19 -0.04 0.97 -0.04 1o26B1 VAL 66 HG23 -0.52 -0.01 -0.24 -0.04 0.95 0.13 1o26B1 LYS 67 H -0.82 0.66 0.37 -0.55 8.42 8.07 1o26B1 LYS 67 HA -0.49 0.31 1.10 -0.75 4.32 4.50 1o26B1 LYS 67 HB2 -1.45 0.00 0.00 -0.04 1.87 0.39 1o26B1 LYS 67 HB3 -1.37 -0.13 0.25 -0.04 1.79 0.50 1o26B1 LYS 67 HG2 -0.29 -0.10 -0.20 -0.04 1.46 0.83 1o26B1 LYS 67 HG3 -0.28 0.09 -0.02 -0.04 1.46 1.20 1o26B1 LYS 67 HD2 -0.14 -0.05 -0.06 -0.04 1.69 1.41 1o26B1 LYS 67 HD3 -0.29 0.15 0.05 -0.04 1.68 1.54 1o26B1 LYS 67 HE2 -0.88 -0.12 -0.21 -0.04 2.99 1.74 1o26B1 LYS 67 HE3 -0.27 -0.05 -0.13 -0.04 2.99 2.50 1o26B1 ALA 68 H -0.13 0.55 0.24 -0.55 8.40 8.52 1o26B1 ALA 68 HA 0.10 0.09 0.70 -0.75 4.34 4.47 1o26B1 ALA 68 HB3 -0.54 0.01 -0.13 -0.04 1.41 0.71 1o26B1 PRO 69 HA -0.51 0.33 0.32 -0.51 4.44 4.08 1o26B1 PRO 69 HB2 -1.19 -0.18 0.05 -0.04 2.28 0.92 1o26B1 PRO 69 HB3 -0.34 0.12 0.10 -0.04 2.02 1.86 1o26B1 PRO 69 HG2 -0.76 0.01 0.07 -0.04 2.03 1.31 1o26B1 PRO 69 HG3 -0.94 0.07 0.05 -0.04 2.03 1.17 1o26B1 PRO 69 HD2 -0.51 0.04 0.17 -0.04 3.68 3.33 1o26B1 PRO 69 HD3 -0.19 0.16 0.21 -0.04 3.65 3.79 1o26B1 ILE 70 H -0.19 0.67 0.23 -0.55 8.25 8.41 1o26B1 ILE 70 HA -0.23 0.00 0.41 -0.75 4.18 3.60 1o26B1 ILE 70 HB -0.05 0.11 0.21 -0.04 1.89 2.11 1o26B1 ILE 70 HG12 -0.17 -0.07 -0.00 -0.04 1.49 1.20 1o26B1 ILE 70 HG13 -0.15 0.26 0.01 -0.04 1.21 1.29 1o26B1 ILE 70 HG23 -0.11 -0.01 -0.08 -0.04 0.93 0.68 1o26B1 ILE 70 HD13 -0.10 0.01 -0.05 -0.04 0.88 0.70 1o26B1 PHE 71 H 0.05 0.38 -0.07 -0.55 8.34 8.14 1o26B1 PHE 71 HA -0.07 0.10 0.38 -0.75 4.62 4.28 1o26B1 PHE 71 HB2 -0.02 0.02 0.06 -0.04 3.15 3.17 1o26B1 PHE 71 HB3 -0.03 0.01 0.06 -0.04 3.06 3.06 1o26B1 PHE 71 HD2 -0.01 0.12 -0.21 -0.04 7.28 7.14 1o26B1 PHE 71 HE2 0.10 -0.04 -0.01 -0.04 7.38 7.39 1o26B1 PHE 71 HZ 0.01 -0.01 -0.01 -0.04 7.32 7.27 1o26B1 VAL 72 H -0.82 0.23 -0.38 -0.55 8.24 6.72 1o26B1 VAL 72 HA -0.17 0.04 0.50 -0.75 4.13 3.75 1o26B1 VAL 72 HB -0.49 0.17 0.05 -0.04 2.12 1.82 1o26B1 VAL 72 HG13 -0.18 -0.00 -0.17 -0.04 0.97 0.57 1o26B1 VAL 72 HG23 -0.71 -0.03 -0.06 -0.04 0.95 0.10 1o26B1 ALA 73 H -0.28 0.54 -0.10 -0.55 8.40 8.02 1o26B1 ALA 73 HA -0.10 -0.01 0.28 -0.75 4.34 3.76 1o26B1 ALA 73 HB3 -0.49 0.03 -0.03 -0.04 1.41 0.87 1o26B1 ARG 74 H -0.17 0.59 -0.24 -0.55 8.46 8.09 1o26B1 ARG 74 HA -0.21 0.03 0.30 -0.75 4.34 3.71 1o26B1 ARG 74 HB2 -0.03 0.08 0.08 -0.04 1.90 1.99 1o26B1 ARG 74 HB3 -0.04 -0.01 -0.06 -0.04 1.80 1.64 1o26B1 ARG 74 HG2 -0.13 -0.02 -0.01 -0.04 1.67 1.47 1o26B1 ARG 74 HG3 -0.14 0.13 0.01 -0.04 1.67 1.62 1o26B1 ARG 74 HD2 -0.04 -0.02 -0.06 -0.04 3.22 3.05 1o26B1 ARG 74 HD3 0.00 -0.04 -0.03 -0.04 3.22 3.11 1o26B1 GLN 75 H 0.01 0.27 -0.36 -0.55 8.47 7.85 1o26B1 GLN 75 HA 0.05 0.08 0.49 -0.75 4.36 4.22 1o26B1 GLN 75 HB2 0.05 0.09 0.15 -0.04 2.15 2.39 1o26B1 GLN 75 HB3 0.04 -0.03 0.03 -0.04 2.02 2.01 1o26B1 GLN 75 HG2 0.04 -0.01 0.03 -0.04 2.40 2.42 1o26B1 GLN 75 HG3 0.05 0.15 0.11 -0.04 2.39 2.66 1o26B1 GLN 75 HE21 0.13 -0.12 0.03 -0.04 6.97 6.97 1o26B1 GLN 75 HE22 0.10 0.04 0.03 -0.04 7.69 7.81 1o26B1 TRP 76 H 0.24 0.48 -0.09 -0.55 7.97 8.06 1o26B1 TRP 76 HA 0.19 0.00 0.33 -0.75 4.62 4.39 1o26B1 TRP 76 HB2 -0.10 0.05 0.03 -0.04 3.23 3.17 1o26B1 TRP 76 HB3 -0.06 0.07 0.04 -0.04 3.23 3.25 1o26B1 TRP 76 HD1 -0.53 0.04 -0.19 -0.04 7.22 6.50 1o26B1 TRP 76 HE1 -4.38 -0.01 -0.13 -0.04 10.20 5.64 1o26B1 TRP 76 HE3 -0.26 -0.01 -0.17 -0.04 7.59 7.11 1o26B1 TRP 76 HZ2 -0.86 -0.01 -0.13 -0.04 7.44 6.40 1o26B1 TRP 76 HZ3 -0.66 -0.04 -0.11 -0.04 7.13 6.27 1o26B1 TRP 76 HH2 -0.13 0.01 -0.12 -0.04 7.19 6.91 1o26B1 PHE 77 H 0.28 0.70 -0.19 -0.55 8.34 8.58 1o26B1 PHE 77 HA -0.55 0.07 0.26 -0.75 4.62 3.65 1o26B1 PHE 77 HB2 -0.31 0.12 -0.01 -0.04 3.15 2.91 1o26B1 PHE 77 HB3 -0.43 -0.03 -0.00 -0.04 3.06 2.56 1o26B1 PHE 77 HD2 -0.61 0.01 -0.05 -0.04 7.28 6.58 1o26B1 PHE 77 HE2 -1.48 -0.05 -0.13 -0.04 7.38 5.68 1o26B1 PHE 77 HZ -0.62 -0.05 -0.15 -0.04 7.32 6.45 1o26B1 ARG 78 H 0.16 0.37 -0.79 -0.55 8.46 7.65 1o26B1 ARG 78 HA 0.03 0.04 0.48 -0.75 4.34 4.14 1o26B1 ARG 78 HB2 -0.01 0.20 0.05 -0.04 1.90 2.11 1o26B1 ARG 78 HB3 -0.05 -0.11 0.07 -0.04 1.80 1.67 1o26B1 ARG 78 HG2 0.03 0.31 0.10 -0.04 1.67 2.06 1o26B1 ARG 78 HG3 -0.00 -0.10 0.04 -0.04 1.67 1.57 1o26B1 ARG 78 HD2 0.00 0.02 -0.05 -0.04 3.22 3.15 1o26B1 ARG 78 HD3 -0.01 -0.04 -0.02 -0.04 3.22 3.11 1o26B1 HIS 79 H 0.36 0.51 -0.33 -0.55 8.41 8.41 1o26B1 HIS 79 HA 0.19 -0.03 0.58 -0.75 4.63 4.61 1o26B1 HIS 79 HB2 0.46 0.17 0.13 -0.04 3.26 3.99 1o26B1 HIS 79 HB3 0.39 -0.08 -0.03 -0.04 3.20 3.44 1o26B1 HIS 79 HD2 0.19 0.19 0.09 -0.04 6.97 7.39 1o26B1 HIS 79 HE1 0.04 0.01 -0.11 -0.04 7.75 7.65 1o26B1 ARG 80 H 0.12 0.22 0.12 -0.55 8.46 8.37 1o26B1 ARG 80 HA 0.21 0.16 0.32 -0.75 4.34 4.28 1o26B1 ARG 80 HB2 0.08 -0.06 0.08 -0.04 1.90 1.96 1o26B1 ARG 80 HB3 0.09 -0.03 0.05 -0.04 1.80 1.86 1o26B1 ARG 80 HG2 0.07 -0.01 0.01 -0.04 1.67 1.70 1o26B1 ARG 80 HG3 0.06 0.22 -0.01 -0.04 1.67 1.90 1o26B1 ARG 80 HD2 0.04 -0.05 0.02 -0.04 3.22 3.19 1o26B1 ARG 80 HD3 0.03 -0.01 0.03 -0.04 3.22 3.23 1o26B1 ILE 81 H 0.19 0.05 -0.23 -0.55 8.25 7.71 1o26B1 ILE 81 HA 0.09 0.15 0.68 -0.75 4.18 4.34 1o26B1 ILE 81 HB 0.11 -0.04 0.19 -0.04 1.89 2.11 1o26B1 ILE 81 HG12 0.09 -0.04 0.02 -0.04 1.49 1.52 1o26B1 ILE 81 HG13 0.06 -0.01 0.02 -0.04 1.21 1.25 1o26B1 ILE 81 HG23 0.03 -0.01 0.03 -0.04 0.93 0.94 1o26B1 ILE 81 HD13 0.06 0.03 -0.11 -0.04 0.88 0.81 1o26B1 ALA 82 H 0.12 0.71 0.10 -0.55 8.40 8.79 1o26B1 ALA 82 HA -0.10 -0.01 0.57 -0.75 4.34 4.04 1o26B1 ALA 82 HB3 0.06 0.06 -0.12 -0.04 1.41 1.37 1o26B1 SER 83 H -0.26 0.61 0.39 -0.55 8.46 8.66 1o26B1 SER 83 HA 0.01 0.19 0.97 -0.75 4.49 4.91 1o26B1 SER 83 HB2 -0.08 -0.08 0.15 -0.04 3.95 3.90 1o26B1 SER 83 HB3 -0.01 0.02 0.04 -0.04 3.93 3.94 1o26B1 TYR 84 H 0.16 0.24 0.22 -0.55 8.29 8.36 1o26B1 TYR 84 HA 0.11 0.41 1.13 -0.75 4.56 5.45 1o26B1 TYR 84 HB2 -0.12 -0.02 0.00 -0.04 3.06 2.87 1o26B1 TYR 84 HB3 -0.38 -0.03 -0.03 -0.04 2.98 2.50 1o26B1 TYR 84 HD2 -0.75 -0.02 -0.13 -0.04 7.15 6.20 1o26B1 TYR 84 HE2 -0.56 0.07 -0.21 -0.04 6.85 6.11 1o26B1 ASN 85 H 0.32 0.49 0.30 -0.55 8.53 9.09 1o26B1 ASN 85 HA 0.21 0.10 0.61 -0.75 4.76 4.93 1o26B1 ASN 85 HB2 0.25 -0.05 0.09 -0.04 2.88 3.13 1o26B1 ASN 85 HB3 0.22 0.01 0.04 -0.04 2.79 3.02 1o26B1 ASN 85 HD21 0.07 -0.00 -0.05 -0.04 7.03 7.01 1o26B1 ASN 85 HD22 0.10 -0.08 -0.22 -0.04 7.74 7.50 1o26B1 GLU 86 H 0.20 0.22 0.15 -0.55 8.60 8.62 1o26B1 GLU 86 HA 0.23 0.24 1.20 -0.75 4.29 5.21 1o26B1 GLU 86 HB2 0.32 -0.04 -0.10 -0.04 2.09 2.22 1o26B1 GLU 86 HB3 0.12 -0.02 0.02 -0.04 1.99 2.06 1o26B1 GLU 86 HG2 0.01 0.34 -0.06 -0.04 2.34 2.59 1o26B1 GLU 86 HG3 0.08 0.03 0.07 -0.04 2.34 2.48 1o26B1 LEU 87 H 0.09 0.57 0.37 -0.55 8.37 8.87 1o26B1 LEU 87 HA 0.09 0.01 0.45 -0.75 4.35 4.15 1o26B1 LEU 87 HB2 0.05 0.04 0.19 -0.04 1.64 1.87 1o26B1 LEU 87 HB3 0.02 -0.13 0.25 -0.04 1.64 1.73 1o26B1 LEU 87 HG 0.04 0.03 -0.32 -0.04 1.64 1.34 1o26B1 LEU 87 HD13 0.06 0.00 0.01 -0.04 0.93 0.96 1o26B1 LEU 87 HD23 -0.00 -0.00 -0.03 -0.04 0.89 0.82 1o26B1 SER 88 H 0.11 0.14 0.21 -0.55 8.46 8.36 1o26B1 SER 88 HA 0.01 0.24 1.02 -0.75 4.49 5.01 1o26B1 SER 88 HB2 0.16 0.17 0.06 -0.04 3.95 4.30 1o26B1 SER 88 HB3 0.27 0.02 0.18 -0.04 3.93 4.37 1o26B1 GLY 89 H -0.05 0.24 0.17 -0.55 8.43 8.24 1o26B1 GLY 89 HA2 0.01 0.23 0.57 -0.51 4.01 4.31 1o26B1 GLY 89 HA3 -0.03 0.09 0.29 -0.51 4.01 3.85 1o26B1 ARG 90 H -0.19 0.00 -0.12 -0.55 8.46 7.61 1o26B1 ARG 90 HA -0.14 0.09 0.52 -0.75 4.34 4.05 1o26B1 ARG 90 HB2 -0.92 -0.03 0.04 -0.04 1.90 0.94 1o26B1 ARG 90 HB3 -0.54 0.03 0.02 -0.04 1.80 1.26 1o26B1 ARG 90 HG2 -0.16 0.04 0.03 -0.04 1.67 1.54 1o26B1 ARG 90 HG3 -0.21 -0.05 0.04 -0.04 1.67 1.42 1o26B1 ARG 90 HD2 -0.12 0.04 0.01 -0.04 3.22 3.10 1o26B1 ARG 90 HD3 -0.29 0.00 0.01 -0.04 3.22 2.90 1o26B1 TYR 91 H -0.11 -0.04 -0.31 -0.55 8.29 7.28 1o26B1 TYR 91 HA 0.03 0.23 0.86 -0.75 4.56 4.93 1o26B1 TYR 91 HB2 0.04 -0.01 0.03 -0.04 3.06 3.07 1o26B1 TYR 91 HB3 0.03 0.03 0.05 -0.04 2.98 3.05 1o26B1 TYR 91 HD2 0.03 0.04 -0.05 -0.04 7.15 7.13 1o26B1 TYR 91 HE2 0.02 0.03 -0.03 -0.04 6.85 6.83 1o26B1 SER 92 H 0.10 0.35 0.00 -0.55 8.46 8.36 1o26B1 SER 92 HA 0.11 0.18 1.02 -0.75 4.49 5.05 1o26B1 SER 92 HB2 0.08 0.08 0.03 -0.04 3.95 4.10 1o26B1 SER 92 HB3 0.09 0.08 -0.02 -0.04 3.93 4.04 1o26B1 LYS 93 H 0.10 0.13 0.13 -0.55 8.42 8.23 1o26B1 LYS 93 HA 0.19 0.08 0.56 -0.75 4.32 4.40 1o26B1 LYS 93 HB2 0.08 0.00 0.10 -0.04 1.87 2.01 1o26B1 LYS 93 HB3 0.11 -0.03 0.08 -0.04 1.79 1.91 1o26B1 LYS 93 HG2 0.16 0.07 -0.10 -0.04 1.46 1.55 1o26B1 LYS 93 HG3 0.06 0.00 0.05 -0.04 1.46 1.53 1o26B1 LYS 93 HD2 -0.01 0.01 -0.02 -0.04 1.69 1.64 1o26B1 LYS 93 HD3 0.02 0.00 -0.01 -0.04 1.68 1.65 1o26B1 LYS 93 HE2 0.04 0.00 -0.02 -0.04 2.99 2.97 1o26B1 LYS 93 HE3 0.06 -0.03 -0.01 -0.04 2.99 2.97 1o26B1 LEU 94 H 0.42 0.13 0.14 -0.55 8.37 8.52 1o26B1 LEU 94 HA 0.11 0.07 0.64 -0.75 4.35 4.42 1o26B1 LEU 94 HB2 -0.13 -0.02 0.09 -0.04 1.64 1.55 1o26B1 LEU 94 HB3 -0.03 0.06 0.05 -0.04 1.64 1.68 1o26B1 LEU 94 HG 0.09 0.14 -0.00 -0.04 1.64 1.82 1o26B1 LEU 94 HD13 -0.20 -0.02 0.04 -0.04 0.93 0.71 1o26B1 LEU 94 HD23 -0.01 -0.01 -0.13 -0.04 0.89 0.70 1o26B1 SER 95 H 0.07 0.10 0.14 -0.55 8.46 8.23 1o26B1 SER 95 HA 0.24 0.16 0.61 -0.75 4.49 4.75 1o26B1 SER 95 HB2 0.02 0.00 0.02 -0.04 3.95 3.95 1o26B1 SER 95 HB3 0.06 -0.02 -0.00 -0.04 3.93 3.92 1o26B1 TYR 96 H 0.10 0.16 0.07 -0.55 8.29 8.07 1o26B1 TYR 96 HA -0.54 0.11 0.48 -0.75 4.56 3.85 1o26B1 TYR 96 HB2 -0.39 0.04 0.10 -0.04 3.06 2.76 1o26B1 TYR 96 HB3 -0.09 -0.00 0.21 -0.04 2.98 3.06 1o26B1 TYR 96 HD2 -0.28 0.02 0.02 -0.04 7.15 6.87 1o26B1 TYR 96 HE2 -0.04 0.00 -0.07 -0.04 6.85 6.70 1o26B1 GLU 97 H -0.39 0.50 -0.02 -0.55 8.60 8.14 1o26B1 GLU 97 HA -0.13 0.19 0.90 -0.75 4.29 4.49 1o26B1 GLU 97 HB2 -0.14 0.03 0.04 -0.04 2.09 1.98 1o26B1 GLU 97 HB3 -0.09 -0.02 -0.02 -0.04 1.99 1.81 1o26B1 GLU 97 HG2 -0.06 -0.07 -0.47 -0.04 2.34 1.71 1o26B1 GLU 97 HG3 -0.08 0.00 -0.13 -0.04 2.34 2.10 1o26B1 PHE 98 H 0.09 0.26 0.07 -0.55 8.34 8.21 1o26B1 PHE 98 HA 0.07 0.22 1.00 -0.75 4.62 5.17 1o26B1 PHE 98 HB2 -0.13 -0.01 -0.11 -0.04 3.15 2.87 1o26B1 PHE 98 HB3 -0.02 0.02 -0.14 -0.04 3.06 2.89 1o26B1 PHE 98 HD2 -0.25 -0.06 -0.30 -0.04 7.28 6.63 1o26B1 PHE 98 HE2 -0.15 0.02 -0.03 -0.04 7.38 7.17 1o26B1 PHE 98 HZ 0.17 0.04 -0.03 -0.04 7.32 7.46 1o26B1 TYR 99 H 0.17 0.63 0.22 -0.55 8.29 8.77 1o26B1 TYR 99 HA 0.27 0.03 0.69 -0.75 4.56 4.79 1o26B1 TYR 99 HB2 -0.35 -0.03 0.09 -0.04 3.06 2.73 1o26B1 TYR 99 HB3 -0.01 0.03 0.25 -0.04 2.98 3.22 1o26B1 TYR 99 HD2 0.31 -0.06 0.03 -0.04 7.15 7.38 1o26B1 TYR 99 HE2 0.28 -0.01 -0.03 -0.04 6.85 7.06 1o26B1 ILE 100 H 0.02 0.21 0.13 -0.55 8.25 8.06 1o26B1 ILE 100 HA -0.21 0.20 0.84 -0.75 4.18 4.24 1o26B1 ILE 100 HB -0.03 -0.03 0.14 -0.04 1.89 1.93 1o26B1 ILE 100 HG12 0.02 0.05 -0.26 -0.04 1.49 1.27 1o26B1 ILE 100 HG13 -0.02 0.01 -0.05 -0.04 1.21 1.11 1o26B1 ILE 100 HG23 -0.07 0.02 -0.07 -0.04 0.93 0.77 1o26B1 ILE 100 HD13 -0.05 0.03 -0.21 -0.04 0.88 0.60 1o26B1 PRO 101 HA -0.21 -0.02 0.53 -0.51 4.44 4.24 1o26B1 PRO 101 HB2 -0.09 0.09 -0.01 -0.04 2.28 2.23 1o26B1 PRO 101 HB3 -0.15 -0.02 0.07 -0.04 2.02 1.88 1o26B1 PRO 101 HG2 -0.15 0.02 0.04 -0.04 2.03 1.90 1o26B1 PRO 101 HG3 -0.15 0.04 0.03 -0.04 2.03 1.91 1o26B1 PRO 101 HD2 -0.25 0.11 0.23 -0.04 3.68 3.73 1o26B1 PRO 101 HD3 -0.65 0.16 0.03 -0.04 3.65 3.16 1o26B1 SER 102 H 0.01 0.06 0.19 -0.55 8.46 8.17 1o26B1 SER 102 HA -0.03 0.20 0.55 -0.75 4.49 4.47 1o26B1 SER 102 HB2 0.00 0.01 0.14 -0.04 3.95 4.06 1o26B1 SER 102 HB3 0.03 0.11 0.13 -0.04 3.93 4.15 1o26B1 PRO 103 HA -0.05 0.12 0.36 -0.51 4.44 4.36 1o26B1 PRO 103 HB2 -0.02 0.05 0.02 -0.04 2.28 2.29 1o26B1 PRO 103 HB3 -0.02 -0.07 -0.04 -0.04 2.02 1.85 1o26B1 PRO 103 HG2 -0.02 0.07 0.05 -0.04 2.03 2.09 1o26B1 PRO 103 HG3 -0.03 0.07 -0.05 -0.04 2.03 1.98 1o26B1 PRO 103 HD2 -0.01 0.11 0.20 -0.04 3.68 3.94 1o26B1 PRO 103 HD3 -0.02 0.21 0.22 -0.04 3.65 4.01 1o26B1 GLU 104 H -0.04 0.12 -0.32 -0.55 8.60 7.82 1o26B1 GLU 104 HA -0.05 0.09 0.36 -0.75 4.29 3.94 1o26B1 GLU 104 HB2 -0.02 0.00 0.06 -0.04 2.09 2.09 1o26B1 GLU 104 HB3 -0.05 0.01 -0.03 -0.04 1.99 1.88 1o26B1 GLU 104 HG2 -0.08 0.04 0.01 -0.04 2.34 2.27 1o26B1 GLU 104 HG3 -0.04 -0.00 0.10 -0.04 2.34 2.35 1o26B1 ARG 105 H -0.11 0.51 -0.52 -0.55 8.46 7.79 1o26B1 ARG 105 HA -0.44 0.06 0.43 -0.75 4.34 3.63 1o26B1 ARG 105 HB2 -0.14 -0.13 0.09 -0.04 1.90 1.69 1o26B1 ARG 105 HB3 -0.11 0.13 0.02 -0.04 1.80 1.80 1o26B1 ARG 105 HG2 -0.01 -0.04 -0.02 -0.04 1.67 1.56 1o26B1 ARG 105 HG3 -0.14 0.05 -0.17 -0.04 1.67 1.37 1o26B1 ARG 105 HD2 -0.67 0.08 0.14 -0.04 3.22 2.73 1o26B1 ARG 105 HD3 -0.33 -0.06 0.04 -0.04 3.22 2.83 1o26B1 LEU 106 H -0.08 0.39 -0.26 -0.55 8.37 7.88 1o26B1 LEU 106 HA -0.03 0.16 0.62 -0.75 4.35 4.35 1o26B1 LEU 106 HB2 -0.03 0.08 0.13 -0.04 1.64 1.78 1o26B1 LEU 106 HB3 -0.00 -0.01 0.17 -0.04 1.64 1.76 1o26B1 LEU 106 HG -0.13 0.02 -0.04 -0.04 1.64 1.45 1o26B1 LEU 106 HD13 -0.09 -0.04 -0.10 -0.04 0.93 0.65 1o26B1 LEU 106 HD23 -0.06 -0.03 0.04 -0.04 0.89 0.80 1o26B1 GLU 107 H -0.05 0.38 -0.60 -0.55 8.60 7.78 1o26B1 GLU 107 HA -0.01 -0.03 0.47 -0.75 4.29 3.97 1o26B1 GLU 107 HB2 -0.06 0.04 0.18 -0.04 2.09 2.21 1o26B1 GLU 107 HB3 -0.07 0.04 0.10 -0.04 1.99 2.02 1o26B1 GLU 107 HG2 -0.03 -0.05 0.06 -0.04 2.34 2.28 1o26B1 GLU 107 HG3 -0.04 -0.02 0.02 -0.04 2.34 2.27 1o26B1 GLY 108 H -0.04 0.12 0.19 -0.55 8.43 8.16 1o26B1 GLY 108 HA2 -0.13 -0.03 0.34 -0.51 4.01 3.68 1o26B1 GLY 108 HA3 -0.26 0.19 0.76 -0.51 4.01 4.20 1o26B1 TYR 109 H 0.11 0.45 -0.13 -0.55 8.29 8.17 1o26B1 TYR 109 HA -0.03 0.16 0.95 -0.75 4.56 4.89 1o26B1 TYR 109 HB2 -0.04 0.06 0.02 -0.04 3.06 3.05 1o26B1 TYR 109 HB3 -0.03 -0.01 -0.04 -0.04 2.98 2.86 1o26B1 TYR 109 HD2 -0.05 0.02 -0.21 -0.04 7.15 6.87 1o26B1 TYR 109 HE2 -0.05 0.03 -0.03 -0.04 6.85 6.76 1o26B1 LYS 110 H 0.07 0.17 0.13 -0.55 8.42 8.24 1o26B1 LYS 110 HA 0.02 0.10 0.73 -0.75 4.32 4.42 1o26B1 LYS 110 HB2 0.00 0.01 0.07 -0.04 1.87 1.91 1o26B1 LYS 110 HB3 0.02 -0.02 0.15 -0.04 1.79 1.90 1o26B1 LYS 110 HG2 0.01 0.04 -0.20 -0.04 1.46 1.26 1o26B1 LYS 110 HG3 0.00 0.01 0.02 -0.04 1.46 1.45 1o26B1 LYS 110 HD2 -0.00 -0.01 -0.01 -0.04 1.69 1.63 1o26B1 LYS 110 HD3 0.00 -0.02 -0.03 -0.04 1.68 1.60 1o26B1 LYS 110 HE2 -0.00 0.02 -0.05 -0.04 2.99 2.91 1o26B1 LYS 110 HE3 -0.00 0.00 -0.02 -0.04 2.99 2.93 1o26B1 THR 111 H 0.01 0.20 0.18 -0.55 8.28 8.12 1o26B1 THR 111 HA 0.01 0.17 0.95 -0.75 4.39 4.77 1o26B1 THR 111 HB -0.00 0.18 0.08 -0.04 4.32 4.54 1o26B1 THR 111 HG23 -0.02 -0.22 0.06 -0.04 1.22 1.00 1o26B1 THR 112 H -0.01 0.13 0.16 -0.55 8.28 8.02 1o26B1 THR 112 HA -0.00 0.11 0.47 -0.75 4.39 4.21 1o26B1 THR 112 HB -0.01 -0.03 0.08 -0.04 4.32 4.31 1o26B1 THR 112 HG23 -0.01 0.00 -0.00 -0.04 1.22 1.17 1o26B1 ILE 113 H -0.01 0.03 -0.12 -0.55 8.25 7.59 1o26B1 ILE 113 HA -0.01 0.26 0.88 -0.75 4.18 4.55 1o26B1 ILE 113 HB -0.02 0.02 0.07 -0.04 1.89 1.92 1o26B1 ILE 113 HG12 -0.02 -0.10 0.00 -0.04 1.49 1.33 1o26B1 ILE 113 HG13 -0.02 0.06 -0.29 -0.04 1.21 0.92 1o26B1 ILE 113 HG23 -0.01 -0.00 -0.16 -0.04 0.93 0.72 1o26B1 ILE 113 HD13 -0.02 -0.00 -0.09 -0.04 0.88 0.72 1o26B1 PRO 114 HA -0.01 0.20 0.48 -0.51 4.44 4.59 1o26B1 PRO 114 HB2 -0.01 -0.18 0.10 -0.04 2.28 2.15 1o26B1 PRO 114 HB3 -0.01 0.08 0.13 -0.04 2.02 2.18 1o26B1 PRO 114 HG2 -0.01 0.06 0.09 -0.04 2.03 2.14 1o26B1 PRO 114 HG3 -0.01 0.12 0.08 -0.04 2.03 2.18 1o26B1 PRO 114 HD2 -0.01 0.05 0.20 -0.04 3.68 3.88 1o26B1 PRO 114 HD3 -0.01 0.24 0.22 -0.04 3.65 4.06 1o26B1 PRO 115 HA -0.03 0.10 0.47 -0.51 4.44 4.47 1o26B1 PRO 115 HB2 -0.02 -0.06 0.10 -0.04 2.28 2.25 1o26B1 PRO 115 HB3 -0.03 0.15 0.19 -0.04 2.02 2.28 1o26B1 PRO 115 HG2 -0.01 0.07 0.08 -0.04 2.03 2.13 1o26B1 PRO 115 HG3 -0.01 0.14 0.13 -0.04 2.03 2.25 1o26B1 PRO 115 HD2 -0.01 0.06 0.24 -0.04 3.68 3.93 1o26B1 PRO 115 HD3 -0.01 0.22 0.26 -0.04 3.65 4.08 1o26B1 GLU 116 H -0.02 0.15 -0.22 -0.55 8.60 7.97 1o26B1 GLU 116 HA -0.02 0.07 0.41 -0.75 4.29 3.99 1o26B1 GLU 116 HB2 -0.01 -0.02 0.05 -0.04 2.09 2.07 1o26B1 GLU 116 HB3 -0.01 0.06 -0.03 -0.04 1.99 1.96 1o26B1 GLU 116 HG2 -0.01 -0.05 0.06 -0.04 2.34 2.29 1o26B1 GLU 116 HG3 -0.01 0.06 0.04 -0.04 2.34 2.38 1o26B1 ARG 117 H -0.02 0.30 -0.37 -0.55 8.46 7.81 1o26B1 ARG 117 HA -0.02 0.06 0.45 -0.75 4.34 4.08 1o26B1 ARG 117 HB2 -0.02 -0.03 0.09 -0.04 1.90 1.90 1o26B1 ARG 117 HB3 -0.02 0.20 0.06 -0.04 1.80 2.00 1o26B1 ARG 117 HG2 -0.02 -0.01 -0.23 -0.04 1.67 1.36 1o26B1 ARG 117 HG3 -0.02 -0.01 0.02 -0.04 1.67 1.62 1o26B1 ARG 117 HD2 -0.01 0.01 0.01 -0.04 3.22 3.19 1o26B1 ARG 117 HD3 -0.02 -0.02 -0.02 -0.04 3.22 3.12 1o26B1 VAL 118 H -0.03 0.34 -0.17 -0.55 8.24 7.83 1o26B1 VAL 118 HA -0.04 0.03 0.39 -0.75 4.13 3.75 1o26B1 VAL 118 HB -0.05 0.16 0.15 -0.04 2.12 2.34 1o26B1 VAL 118 HG13 -0.07 -0.00 -0.09 -0.04 0.97 0.77 1o26B1 VAL 118 HG23 -0.04 0.03 -0.00 -0.04 0.95 0.89 1o26B1 THR 119 H -0.04 0.44 -0.17 -0.55 8.28 7.96 1o26B1 THR 119 HA -0.07 0.06 0.39 -0.75 4.39 4.02 1o26B1 THR 119 HB -0.03 0.09 0.14 -0.04 4.32 4.47 1o26B1 THR 119 HG23 -0.04 -0.01 -0.10 -0.04 1.22 1.03 1o26B1 GLU 120 H -0.03 0.41 -0.23 -0.55 8.60 8.21 1o26B1 GLU 120 HA -0.02 0.02 0.45 -0.75 4.29 3.99 1o26B1 GLU 120 HB2 -0.02 0.05 0.14 -0.04 2.09 2.22 1o26B1 GLU 120 HB3 -0.02 0.10 0.15 -0.04 1.99 2.18 1o26B1 GLU 120 HG2 -0.01 -0.02 -0.10 -0.04 2.34 2.17 1o26B1 GLU 120 HG3 -0.01 -0.02 0.06 -0.04 2.34 2.32 1o26B1 LYS 121 H -0.03 0.59 -0.14 -0.55 8.42 8.28 1o26B1 LYS 121 HA -0.03 0.01 0.46 -0.75 4.32 4.01 1o26B1 LYS 121 HB2 -0.03 0.12 0.13 -0.04 1.87 2.05 1o26B1 LYS 121 HB3 -0.04 0.08 0.14 -0.04 1.79 1.93 1o26B1 LYS 121 HG2 -0.03 -0.03 -0.03 -0.04 1.46 1.33 1o26B1 LYS 121 HG3 -0.02 -0.02 0.05 -0.04 1.46 1.43 1o26B1 LYS 121 HD2 -0.03 -0.00 -0.01 -0.04 1.69 1.60 1o26B1 LYS 121 HD3 -0.03 -0.01 -0.01 -0.04 1.68 1.59 1o26B1 LYS 121 HE2 -0.03 0.04 -0.09 -0.04 2.99 2.87 1o26B1 LYS 121 HE3 -0.03 -0.03 -0.05 -0.04 2.99 2.85 1o26B1 ILE 122 H -0.05 0.59 -0.10 -0.55 8.25 8.14 1o26B1 ILE 122 HA -0.05 -0.00 0.46 -0.75 4.18 3.83 1o26B1 ILE 122 HB -0.07 0.15 0.20 -0.04 1.89 2.12 1o26B1 ILE 122 HG12 -0.07 -0.07 0.06 -0.04 1.49 1.37 1o26B1 ILE 122 HG13 -0.06 0.22 0.12 -0.04 1.21 1.45 1o26B1 ILE 122 HG23 -0.07 -0.02 -0.03 -0.04 0.93 0.76 1o26B1 ILE 122 HD13 -0.09 -0.02 -0.01 -0.04 0.88 0.71 1o26B1 SER 123 H -0.04 0.52 -0.15 -0.55 8.46 8.24 1o26B1 SER 123 HA -0.06 -0.02 0.37 -0.75 4.49 4.03 1o26B1 SER 123 HB2 -0.02 0.14 0.16 -0.04 3.95 4.20 1o26B1 SER 123 HB3 -0.00 -0.06 0.03 -0.04 3.93 3.86 1o26B1 GLU 124 H -0.03 0.49 -0.25 -0.55 8.60 8.26 1o26B1 GLU 124 HA -0.01 0.01 0.48 -0.75 4.29 4.01 1o26B1 GLU 124 HB2 -0.02 0.15 0.19 -0.04 2.09 2.36 1o26B1 GLU 124 HB3 -0.01 -0.05 0.03 -0.04 1.99 1.91 1o26B1 GLU 124 HG2 -0.01 -0.06 0.04 -0.04 2.34 2.28 1o26B1 GLU 124 HG3 -0.01 0.29 0.10 -0.04 2.34 2.68 1o26B1 ILE 125 H -0.04 0.48 -0.09 -0.55 8.25 8.05 1o26B1 ILE 125 HA -0.03 0.02 0.44 -0.75 4.18 3.86 1o26B1 ILE 125 HB -0.05 0.13 0.21 -0.04 1.89 2.14 1o26B1 ILE 125 HG12 -0.03 0.15 0.12 -0.04 1.49 1.69 1o26B1 ILE 125 HG13 -0.03 -0.04 0.05 -0.04 1.21 1.15 1o26B1 ILE 125 HG23 -0.03 -0.02 -0.08 -0.04 0.93 0.76 1o26B1 ILE 125 HD13 -0.02 -0.01 0.03 -0.04 0.88 0.84 1o26B1 VAL 126 H -0.11 0.54 -0.14 -0.55 8.24 7.99 1o26B1 VAL 126 HA -0.36 -0.01 0.39 -0.75 4.13 3.40 1o26B1 VAL 126 HB -0.20 0.15 0.15 -0.04 2.12 2.18 1o26B1 VAL 126 HG13 -1.08 -0.02 -0.19 -0.04 0.97 -0.37 1o26B1 VAL 126 HG23 -0.24 0.03 -0.03 -0.04 0.95 0.67 1o26B1 ASP 127 H -0.04 0.60 -0.09 -0.55 8.40 8.33 1o26B1 ASP 127 HA 0.14 -0.02 0.38 -0.75 4.63 4.38 1o26B1 ASP 127 HB2 0.02 0.12 0.21 -0.04 2.71 3.01 1o26B1 ASP 127 HB3 0.03 -0.05 0.01 -0.04 2.70 2.66 1o26B1 LYS 128 H -0.00 0.64 -0.08 -0.55 8.42 8.42 1o26B1 LYS 128 HA 0.02 -0.00 0.45 -0.75 4.32 4.04 1o26B1 LYS 128 HB2 -0.00 0.09 0.20 -0.04 1.87 2.12 1o26B1 LYS 128 HB3 0.01 -0.04 0.02 -0.04 1.79 1.74 1o26B1 LYS 128 HG2 0.00 -0.05 0.05 -0.04 1.46 1.42 1o26B1 LYS 128 HG3 0.00 0.12 0.09 -0.04 1.46 1.63 1o26B1 LYS 128 HD2 -0.01 -0.00 -0.05 -0.04 1.69 1.59 1o26B1 LYS 128 HD3 -0.00 -0.02 0.00 -0.04 1.68 1.62 1o26B1 LYS 128 HE2 -0.00 -0.01 -0.00 -0.04 2.99 2.93 1o26B1 LYS 128 HE3 -0.00 -0.01 -0.01 -0.04 2.99 2.93 1o26B1 ALA 129 H -0.00 0.72 -0.03 -0.55 8.40 8.54 1o26B1 ALA 129 HA 0.05 0.01 0.45 -0.75 4.34 4.10 1o26B1 ALA 129 HB3 0.02 0.03 0.14 -0.04 1.41 1.56 1o26B1 TYR 130 H 0.14 0.74 -0.02 -0.55 8.29 8.60 1o26B1 TYR 130 HA 0.23 0.01 0.41 -0.75 4.56 4.45 1o26B1 TYR 130 HB2 0.15 0.02 0.09 -0.04 3.06 3.29 1o26B1 TYR 130 HB3 0.15 0.07 0.07 -0.04 2.98 3.24 1o26B1 TYR 130 HD2 0.22 0.01 -0.09 -0.04 7.15 7.25 1o26B1 TYR 130 HE2 0.16 0.04 -0.17 -0.04 6.85 6.83 1o26B1 ARG 131 H 0.12 0.57 -0.22 -0.55 8.46 8.38 1o26B1 ARG 131 HA -0.01 -0.02 0.42 -0.75 4.34 3.98 1o26B1 ARG 131 HB2 0.04 0.05 0.15 -0.04 1.90 2.09 1o26B1 ARG 131 HB3 0.03 0.16 0.21 -0.04 1.80 2.16 1o26B1 ARG 131 HG2 0.00 -0.02 -0.01 -0.04 1.67 1.60 1o26B1 ARG 131 HG3 -0.01 -0.04 -0.15 -0.04 1.67 1.43 1o26B1 ARG 131 HD2 -0.01 -0.02 0.00 -0.04 3.22 3.15 1o26B1 ARG 131 HD3 -0.01 -0.03 0.06 -0.04 3.22 3.20 1o26B1 THR 132 H 0.04 0.54 -0.17 -0.55 8.28 8.14 1o26B1 THR 132 HA -0.01 -0.02 0.41 -0.75 4.39 4.02 1o26B1 THR 132 HB 0.05 0.15 0.16 -0.04 4.32 4.64 1o26B1 THR 132 HG23 0.02 -0.03 -0.04 -0.04 1.22 1.13 1o26B1 TYR 133 H 0.12 0.60 -0.12 -0.55 8.29 8.34 1o26B1 TYR 133 HA -0.04 0.04 0.41 -0.75 4.56 4.21 1o26B1 TYR 133 HB2 0.01 0.02 0.06 -0.04 3.06 3.11 1o26B1 TYR 133 HB3 -0.20 0.13 0.21 -0.04 2.98 3.08 1o26B1 TYR 133 HD2 -0.28 0.08 -0.25 -0.04 7.15 6.66 1o26B1 TYR 133 HE2 0.03 0.09 0.01 -0.04 6.85 6.95 1o26B1 LEU 134 H -0.19 0.61 -0.14 -0.55 8.37 8.11 1o26B1 LEU 134 HA -0.40 -0.02 0.42 -0.75 4.35 3.59 1o26B1 LEU 134 HB2 -0.15 0.15 0.16 -0.04 1.64 1.75 1o26B1 LEU 134 HB3 -0.14 -0.07 0.03 -0.04 1.64 1.42 1o26B1 LEU 134 HG -0.71 0.24 0.08 -0.04 1.64 1.21 1o26B1 LEU 134 HD13 0.02 -0.03 -0.02 -0.04 0.93 0.86 1o26B1 LEU 134 HD23 -0.17 -0.02 -0.00 -0.04 0.89 0.65 1o26B1 GLU 135 H -0.10 0.56 -0.11 -0.55 8.60 8.41 1o26B1 GLU 135 HA -0.07 -0.01 0.42 -0.75 4.29 3.87 1o26B1 GLU 135 HB2 -0.04 0.11 0.18 -0.04 2.09 2.30 1o26B1 GLU 135 HB3 -0.04 -0.06 0.04 -0.04 1.99 1.88 1o26B1 GLU 135 HG2 -0.04 -0.08 0.04 -0.04 2.34 2.22 1o26B1 GLU 135 HG3 -0.04 0.43 0.12 -0.04 2.34 2.81 1o26B1 LEU 136 H -0.10 0.63 -0.16 -0.55 8.37 8.20 1o26B1 LEU 136 HA -0.05 0.01 0.44 -0.75 4.35 3.99 1o26B1 LEU 136 HB2 -0.09 0.15 0.21 -0.04 1.64 1.87 1o26B1 LEU 136 HB3 -0.05 -0.10 0.02 -0.04 1.64 1.47 1o26B1 LEU 136 HG -0.02 0.25 0.07 -0.04 1.64 1.90 1o26B1 LEU 136 HD13 0.02 -0.01 -0.01 -0.04 0.93 0.89 1o26B1 LEU 136 HD23 -0.02 -0.03 -0.02 -0.04 0.89 0.79 1o26B1 ILE 137 H -0.26 0.57 -0.00 -0.55 8.25 8.00 1o26B1 ILE 137 HA -0.13 0.19 0.44 -0.75 4.18 3.93 1o26B1 ILE 137 HB -0.36 0.07 0.17 -0.04 1.89 1.73 1o26B1 ILE 137 HG12 -0.19 0.04 -0.00 -0.04 1.49 1.30 1o26B1 ILE 137 HG13 -0.55 0.08 0.06 -0.04 1.21 0.77 1o26B1 ILE 137 HG23 -0.12 -0.02 -0.15 -0.04 0.93 0.60 1o26B1 ILE 137 HD13 -0.41 -0.02 0.02 -0.04 0.88 0.42 1o26B1 GLU 138 H -0.13 0.64 -0.10 -0.55 8.60 8.46 1o26B1 GLU 138 HA -0.06 -0.00 0.43 -0.75 4.29 3.91 1o26B1 GLU 138 HB2 -0.07 -0.00 0.12 -0.04 2.09 2.10 1o26B1 GLU 138 HB3 -0.06 0.10 0.10 -0.04 1.99 2.09 1o26B1 GLU 138 HG2 -0.03 0.01 -0.04 -0.04 2.34 2.24 1o26B1 GLU 138 HG3 -0.03 -0.05 0.08 -0.04 2.34 2.30 1o26B1 SER 139 H -0.06 0.30 -0.55 -0.55 8.46 7.60 1o26B1 SER 139 HA -0.03 0.06 0.61 -0.75 4.49 4.38 1o26B1 SER 139 HB2 -0.04 0.09 0.17 -0.04 3.95 4.13 1o26B1 SER 139 HB3 -0.03 -0.11 0.15 -0.04 3.93 3.91 1o26B1 GLY 140 H -0.04 0.46 -0.37 -0.55 8.43 7.93 1o26B1 GLY 140 HA2 -0.02 -0.01 0.26 -0.51 4.01 3.73 1o26B1 GLY 140 HA3 -0.02 0.12 0.79 -0.51 4.01 4.39 1o26B1 VAL 141 H -0.04 0.45 -0.01 -0.55 8.24 8.09 1o26B1 VAL 141 HA -0.02 0.06 0.47 -0.75 4.13 3.89 1o26B1 VAL 141 HB -0.05 -0.04 -0.18 -0.04 2.12 1.81 1o26B1 VAL 141 HG13 -0.01 0.01 -0.12 -0.04 0.97 0.82 1o26B1 VAL 141 HG23 -0.02 0.01 -0.01 -0.04 0.95 0.89 1o26B1 PRO 142 HA -0.00 0.09 0.45 -0.51 4.44 4.46 1o26B1 PRO 142 HB2 0.00 -0.13 0.07 -0.04 2.28 2.19 1o26B1 PRO 142 HB3 0.01 0.04 0.13 -0.04 2.02 2.16 1o26B1 PRO 142 HG2 0.00 0.02 0.11 -0.04 2.03 2.12 1o26B1 PRO 142 HG3 0.00 0.12 0.13 -0.04 2.03 2.25 1o26B1 PRO 142 HD2 -0.00 0.02 0.21 -0.04 3.68 3.86 1o26B1 PRO 142 HD3 -0.01 0.26 0.30 -0.04 3.65 4.16 1o26B1 ARG 143 H 0.01 0.20 0.19 -0.55 8.46 8.31 1o26B1 ARG 143 HA 0.03 0.06 0.40 -0.75 4.34 4.09 1o26B1 ARG 143 HB2 0.03 0.08 0.10 -0.04 1.90 2.06 1o26B1 ARG 143 HB3 0.08 0.19 -0.05 -0.04 1.80 1.98 1o26B1 ARG 143 HG2 0.02 -0.02 0.01 -0.04 1.67 1.64 1o26B1 ARG 143 HG3 0.02 -0.02 0.07 -0.04 1.67 1.70 1o26B1 ARG 143 HD2 0.07 0.07 -0.22 -0.04 3.22 3.10 1o26B1 ARG 143 HD3 0.09 0.07 -0.59 -0.04 3.22 2.75 1o26B1 GLU 144 H -0.00 0.10 -0.12 -0.55 8.60 8.03 1o26B1 GLU 144 HA -0.02 0.10 0.29 -0.75 4.29 3.91 1o26B1 GLU 144 HB2 -0.05 0.00 0.06 -0.04 2.09 2.06 1o26B1 GLU 144 HB3 -0.08 -0.01 0.14 -0.04 1.99 2.00 1o26B1 GLU 144 HG2 -0.01 -0.07 -0.01 -0.04 2.34 2.21 1o26B1 GLU 144 HG3 -0.01 0.05 -0.23 -0.04 2.34 2.11 1o26B1 VAL 145 H 0.02 0.31 -0.52 -0.55 8.24 7.50 1o26B1 VAL 145 HA 0.01 0.14 0.75 -0.75 4.13 4.28 1o26B1 VAL 145 HB 0.01 0.12 0.08 -0.04 2.12 2.28 1o26B1 VAL 145 HG13 0.01 -0.00 -0.12 -0.04 0.97 0.81 1o26B1 VAL 145 HG23 0.00 -0.02 -0.05 -0.04 0.95 0.83 1o26B1 ALA 146 H 0.04 0.55 0.03 -0.55 8.40 8.46 1o26B1 ALA 146 HA 0.06 0.01 0.34 -0.75 4.34 4.00 1o26B1 ALA 146 HB3 -0.01 0.03 0.04 -0.04 1.41 1.44 1o26B1 ARG 147 H 0.17 0.50 -0.25 -0.55 8.46 8.33 1o26B1 ARG 147 HA 0.10 0.03 0.43 -0.75 4.34 4.13 1o26B1 ARG 147 HB2 -0.06 -0.07 0.11 -0.04 1.90 1.84 1o26B1 ARG 147 HB3 0.08 0.03 0.11 -0.04 1.80 1.97 1o26B1 ARG 147 HG2 0.01 -0.11 -0.10 -0.04 1.67 1.42 1o26B1 ARG 147 HG3 0.06 0.22 -0.04 -0.04 1.67 1.87 1o26B1 ARG 147 HD2 0.01 0.08 -0.42 -0.04 3.22 2.85 1o26B1 ARG 147 HD3 -0.02 -0.08 -0.25 -0.04 3.22 2.82 1o26B1 ILE 148 H 0.06 0.54 -0.49 -0.55 8.25 7.80 1o26B1 ILE 148 HA 0.01 0.06 0.37 -0.75 4.18 3.87 1o26B1 ILE 148 HB 0.01 -0.07 0.13 -0.04 1.89 1.92 1o26B1 ILE 148 HG12 0.03 0.32 0.05 -0.04 1.49 1.86 1o26B1 ILE 148 HG13 0.02 -0.04 -0.29 -0.04 1.21 0.87 1o26B1 ILE 148 HG23 0.01 0.01 0.07 -0.04 0.93 0.97 1o26B1 ILE 148 HD13 0.01 -0.04 0.00 -0.04 0.88 0.81 1o26B1 VAL 149 H 0.07 0.31 -0.41 -0.55 8.24 7.66 1o26B1 VAL 149 HA 0.04 0.12 0.66 -0.75 4.13 4.19 1o26B1 VAL 149 HB 0.05 -0.07 0.11 -0.04 2.12 2.17 1o26B1 VAL 149 HG13 0.04 -0.00 -0.03 -0.04 0.97 0.94 1o26B1 VAL 149 HG23 0.12 0.09 -0.06 -0.04 0.95 1.05 1o26B1 LEU 150 H 0.04 0.44 -0.22 -0.55 8.37 8.08 1o26B1 LEU 150 HA 0.13 0.05 0.52 -0.75 4.35 4.29 1o26B1 LEU 150 HB2 -0.01 0.11 0.14 -0.04 1.64 1.84 1o26B1 LEU 150 HB3 0.16 -0.04 0.05 -0.04 1.64 1.76 1o26B1 LEU 150 HG -0.08 -0.01 0.04 -0.04 1.64 1.54 1o26B1 LEU 150 HD13 -0.59 -0.01 0.03 -0.04 0.93 0.31 1o26B1 LEU 150 HD23 0.25 -0.01 -0.14 -0.04 0.89 0.96 1o26B1 PRO 151 HA 0.06 0.15 0.52 -0.51 4.44 4.66 1o26B1 PRO 151 HB2 0.08 -0.16 0.08 -0.04 2.28 2.24 1o26B1 PRO 151 HB3 0.03 0.12 0.11 -0.04 2.02 2.23 1o26B1 PRO 151 HG2 0.32 -0.09 0.03 -0.04 2.03 2.25 1o26B1 PRO 151 HG3 -0.05 0.06 0.03 -0.04 2.03 2.02 1o26B1 PRO 151 HD2 0.28 0.07 0.22 -0.04 3.68 4.21 1o26B1 PRO 151 HD3 0.06 0.27 0.22 -0.04 3.65 4.17 1o26B1 LEU 152 H 0.05 0.18 0.17 -0.55 8.37 8.23 1o26B1 LEU 152 HA 0.06 0.17 0.43 -0.75 4.35 4.27 1o26B1 LEU 152 HB2 0.04 0.01 0.12 -0.04 1.64 1.76 1o26B1 LEU 152 HB3 0.17 -0.10 0.09 -0.04 1.64 1.76 1o26B1 LEU 152 HG 0.02 0.07 0.07 -0.04 1.64 1.76 1o26B1 LEU 152 HD13 0.00 0.01 0.03 -0.04 0.93 0.93 1o26B1 LEU 152 HD23 0.02 0.01 -0.02 -0.04 0.89 0.87 1o26B1 ASN 153 H 0.18 0.11 -0.36 -0.55 8.53 7.90 1o26B1 ASN 153 HA 0.37 0.06 0.80 -0.75 4.76 5.23 1o26B1 ASN 153 HB2 0.34 0.01 0.28 -0.04 2.88 3.46 1o26B1 ASN 153 HB3 0.24 -0.01 0.10 -0.04 2.79 3.08 1o26B1 ASN 153 HD21 0.03 -0.01 -0.06 -0.04 7.03 6.96 1o26B1 ASN 153 HD22 0.08 0.39 0.10 -0.04 7.74 8.26 1o26B1 LEU 154 H 0.08 0.38 -0.32 -0.55 8.37 7.97 1o26B1 LEU 154 HA -0.65 0.08 0.56 -0.75 4.35 3.59 1o26B1 LEU 154 HB2 -0.16 0.02 0.09 -0.04 1.64 1.55 1o26B1 LEU 154 HB3 -0.11 -0.02 0.07 -0.04 1.64 1.54 1o26B1 LEU 154 HG -0.25 0.19 -0.25 -0.04 1.64 1.29 1o26B1 LEU 154 HD13 -0.72 0.02 0.09 -0.04 0.93 0.29 1o26B1 LEU 154 HD23 -0.15 -0.02 -0.04 -0.04 0.89 0.64 1o26B1 TYR 155 H -0.20 0.71 0.37 -0.55 8.29 8.62 1o26B1 TYR 155 HA -0.16 0.00 0.52 -0.75 4.56 4.17 1o26B1 TYR 155 HB2 -0.19 0.07 0.03 -0.04 3.06 2.94 1o26B1 TYR 155 HB3 -0.16 0.06 -0.16 -0.04 2.98 2.68 1o26B1 TYR 155 HD2 -0.12 0.04 -0.53 -0.04 7.15 6.50 1o26B1 TYR 155 HE2 0.06 0.07 -0.32 -0.04 6.85 6.62 1o26B1 THR 156 H -0.05 0.65 0.32 -0.55 8.28 8.65 1o26B1 THR 156 HA -0.05 0.16 0.80 -0.75 4.39 4.55 1o26B1 THR 156 HB -0.12 0.02 -0.08 -0.04 4.32 4.10 1o26B1 THR 156 HG23 -0.12 0.03 -0.14 -0.04 1.22 0.95 1o26B1 ARG 157 H 0.00 0.18 0.27 -0.55 8.46 8.35 1o26B1 ARG 157 HA -0.23 0.36 1.15 -0.75 4.34 4.87 1o26B1 ARG 157 HB2 -0.01 -0.09 0.07 -0.04 1.90 1.82 1o26B1 ARG 157 HB3 -0.05 0.03 -0.04 -0.04 1.80 1.70 1o26B1 ARG 157 HG2 -0.32 0.07 0.04 -0.04 1.67 1.42 1o26B1 ARG 157 HG3 -0.09 -0.03 -0.21 -0.04 1.67 1.30 1o26B1 ARG 157 HD2 0.14 0.02 -0.10 -0.04 3.22 3.24 1o26B1 ARG 157 HD3 0.09 0.02 -0.09 -0.04 3.22 3.19 1o26B1 PHE 158 H -0.49 0.65 0.42 -0.55 8.34 8.37 1o26B1 PHE 158 HA -0.05 0.17 0.87 -0.75 4.62 4.86 1o26B1 PHE 158 HB2 0.15 0.09 0.04 -0.04 3.15 3.38 1o26B1 PHE 158 HB3 0.10 -0.04 -0.16 -0.04 3.06 2.92 1o26B1 PHE 158 HD2 -0.17 0.04 -0.41 -0.04 7.28 6.70 1o26B1 PHE 158 HE2 -0.99 -0.02 -0.21 -0.04 7.38 6.12 1o26B1 PHE 158 HZ -2.51 -0.02 -0.17 -0.04 7.32 4.58 1o26B1 PHE 159 H 0.34 0.63 0.44 -0.55 8.34 9.19 1o26B1 PHE 159 HA 0.11 0.31 1.09 -0.75 4.62 5.38 1o26B1 PHE 159 HB2 0.10 -0.05 0.19 -0.04 3.15 3.34 1o26B1 PHE 159 HB3 0.06 0.01 0.02 -0.04 3.06 3.11 1o26B1 PHE 159 HD2 0.03 0.06 -0.02 -0.04 7.28 7.31 1o26B1 PHE 159 HE2 -0.17 0.00 -0.08 -0.04 7.38 7.09 1o26B1 PHE 159 HZ -0.32 0.01 -0.07 -0.04 7.32 6.89 1o26B1 TRP 160 H 0.39 0.63 0.32 -0.55 7.97 8.76 1o26B1 TRP 160 HA -0.18 0.40 1.03 -0.75 4.62 5.11 1o26B1 TRP 160 HB2 0.07 -0.01 -0.19 -0.04 3.23 3.06 1o26B1 TRP 160 HB3 0.10 -0.11 0.09 -0.04 3.23 3.27 1o26B1 TRP 160 HD1 -1.20 0.18 -0.04 -0.04 7.22 6.11 1o26B1 TRP 160 HE1 -0.14 0.09 -0.16 -0.04 10.20 9.95 1o26B1 TRP 160 HE3 -0.06 -0.06 -0.11 -0.04 7.59 7.33 1o26B1 TRP 160 HZ2 -0.25 0.04 -0.12 -0.04 7.44 7.06 1o26B1 TRP 160 HZ3 -0.66 -0.03 -0.11 -0.04 7.13 6.29 1o26B1 TRP 160 HH2 -1.39 -0.02 -0.09 -0.04 7.19 5.65 1o26B1 THR 161 H -0.14 0.58 0.32 -0.55 8.28 8.49 1o26B1 THR 161 HA -0.17 0.39 1.21 -0.75 4.39 5.07 1o26B1 THR 161 HB -0.11 -0.05 0.15 -0.04 4.32 4.27 1o26B1 THR 161 HG23 -0.12 0.01 -0.11 -0.04 1.22 0.96 1o26B1 VAL 162 H -0.29 0.66 0.37 -0.55 8.24 8.43 1o26B1 VAL 162 HA -0.32 0.10 0.85 -0.75 4.13 4.00 1o26B1 VAL 162 HB -1.48 0.06 -0.29 -0.04 2.12 0.37 1o26B1 VAL 162 HG13 -1.12 -0.00 -0.13 -0.04 0.97 -0.33 1o26B1 VAL 162 HG23 -0.38 0.09 -0.04 -0.04 0.95 0.58 1o26B1 ASN 163 H -0.13 0.14 0.22 -0.55 8.53 8.21 1o26B1 ASN 163 HA 0.00 0.27 1.06 -0.75 4.76 5.34 1o26B1 ASN 163 HB2 -0.01 0.18 0.28 -0.04 2.88 3.28 1o26B1 ASN 163 HB3 -0.05 0.05 0.13 -0.04 2.79 2.87 1o26B1 ASN 163 HD21 -0.03 -0.01 0.05 -0.04 7.03 7.00 1o26B1 ASN 163 HD22 -0.06 0.11 0.07 -0.04 7.74 7.82 1o26B1 ALA 164 H 0.11 0.69 0.36 -0.55 8.40 9.02 1o26B1 ALA 164 HA -0.11 0.04 0.35 -0.75 4.34 3.86 1o26B1 ALA 164 HB3 0.30 0.07 0.12 -0.04 1.41 1.86 1o26B1 ARG 165 H 0.05 0.17 -0.29 -0.55 8.46 7.84 1o26B1 ARG 165 HA 0.00 0.12 0.42 -0.75 4.34 4.13 1o26B1 ARG 165 HB2 0.12 0.04 -0.07 -0.04 1.90 1.96 1o26B1 ARG 165 HB3 0.04 -0.03 0.00 -0.04 1.80 1.77 1o26B1 ARG 165 HG2 0.05 0.01 -0.24 -0.04 1.67 1.45 1o26B1 ARG 165 HG3 0.08 0.02 -0.03 -0.04 1.67 1.70 1o26B1 ARG 165 HD2 0.10 0.06 -0.25 -0.04 3.22 3.08 1o26B1 ARG 165 HD3 0.05 0.01 -0.10 -0.04 3.22 3.13 1o26B1 SER 166 H -0.02 0.11 -0.14 -0.55 8.46 7.87 1o26B1 SER 166 HA 0.06 0.06 0.46 -0.75 4.49 4.32 1o26B1 SER 166 HB2 0.02 -0.04 0.16 -0.04 3.95 4.05 1o26B1 SER 166 HB3 -0.05 0.00 0.16 -0.04 3.93 4.00 1o26B1 LEU 167 H -0.15 0.45 -0.31 -0.55 8.37 7.81 1o26B1 LEU 167 HA -0.11 0.03 0.34 -0.75 4.35 3.86 1o26B1 LEU 167 HB2 -0.38 0.11 -0.09 -0.04 1.64 1.24 1o26B1 LEU 167 HB3 -0.53 0.08 0.03 -0.04 1.64 1.18 1o26B1 LEU 167 HG -0.57 -0.02 -0.18 -0.04 1.64 0.83 1o26B1 LEU 167 HD13 -0.30 -0.02 -0.06 -0.04 0.93 0.52 1o26B1 LEU 167 HD23 -0.82 0.00 -0.12 -0.04 0.89 -0.09 1o26B1 MET 168 H -0.24 0.51 -0.24 -0.55 8.47 7.95 1o26B1 MET 168 HA -0.48 -0.00 0.42 -0.75 4.52 3.71 1o26B1 MET 168 HB2 -0.25 0.12 0.16 -0.04 2.15 2.14 1o26B1 MET 168 HB3 -0.52 -0.02 -0.01 -0.04 2.03 1.44 1o26B1 MET 168 HG2 -1.31 -0.05 -0.01 -0.04 2.63 1.22 1o26B1 MET 168 HG3 -0.51 0.12 0.03 -0.04 2.56 2.16 1o26B1 MET 168 HE3 -0.33 -0.01 -0.14 -0.04 2.10 1.57 1o26B1 ASN 169 H 0.02 0.40 -0.28 -0.55 8.53 8.11 1o26B1 ASN 169 HA 0.12 0.04 0.42 -0.75 4.76 4.58 1o26B1 ASN 169 HB2 0.10 0.02 0.10 -0.04 2.88 3.05 1o26B1 ASN 169 HB3 0.17 0.13 0.14 -0.04 2.79 3.19 1o26B1 ASN 169 HD21 0.12 -0.01 -0.07 -0.04 7.03 7.04 1o26B1 ASN 169 HD22 0.28 0.02 -0.08 -0.04 7.74 7.91 1o26B1 PHE 170 H 0.21 0.57 -0.16 -0.55 8.34 8.40 1o26B1 PHE 170 HA -0.10 0.01 0.37 -0.75 4.62 4.14 1o26B1 PHE 170 HB2 -0.06 0.05 0.08 -0.04 3.15 3.18 1o26B1 PHE 170 HB3 -0.04 0.18 0.16 -0.04 3.06 3.31 1o26B1 PHE 170 HD2 -0.80 0.05 -0.11 -0.04 7.28 6.38 1o26B1 PHE 170 HE2 -1.08 -0.02 -0.10 -0.04 7.38 6.14 1o26B1 PHE 170 HZ -2.14 -0.04 -0.12 -0.04 7.32 4.98 1o26B1 LEU 171 H 0.13 0.56 -0.22 -0.55 8.37 8.29 1o26B1 LEU 171 HA -0.00 -0.06 0.38 -0.75 4.35 3.91 1o26B1 LEU 171 HB2 0.22 0.11 0.12 -0.04 1.64 2.05 1o26B1 LEU 171 HB3 0.33 -0.04 -0.02 -0.04 1.64 1.87 1o26B1 LEU 171 HG 0.10 0.17 -0.02 -0.04 1.64 1.85 1o26B1 LEU 171 HD13 0.19 -0.02 -0.09 -0.04 0.93 0.97 1o26B1 LEU 171 HD23 0.14 -0.04 -0.05 -0.04 0.89 0.90 1o26B1 ASN 172 H 0.25 0.63 -0.14 -0.55 8.53 8.72 1o26B1 ASN 172 HA 0.23 -0.11 0.39 -0.75 4.76 4.52 1o26B1 ASN 172 HB2 0.15 0.16 0.18 -0.04 2.88 3.34 1o26B1 ASN 172 HB3 0.07 -0.01 -0.06 -0.04 2.79 2.75 1o26B1 ASN 172 HD21 0.28 0.07 -0.06 -0.04 7.03 7.28 1o26B1 ASN 172 HD22 0.17 -0.02 -0.02 -0.04 7.74 7.83 1o26B1 LEU 173 H 0.02 0.44 -0.36 -0.55 8.37 7.92 1o26B1 LEU 173 HA -0.02 0.12 0.63 -0.75 4.35 4.33 1o26B1 LEU 173 HB2 0.03 0.07 0.05 -0.04 1.64 1.76 1o26B1 LEU 173 HB3 -0.00 -0.06 -0.04 -0.04 1.64 1.49 1o26B1 LEU 173 HG 0.07 0.06 -0.04 -0.04 1.64 1.68 1o26B1 LEU 173 HD13 0.10 -0.02 -0.08 -0.04 0.93 0.89 1o26B1 LEU 173 HD23 -0.00 -0.01 -0.07 -0.04 0.89 0.77 1o26B1 ARG 174 H -0.30 0.61 0.02 -0.55 8.46 8.24 1o26B1 ARG 174 HA -0.22 0.12 0.83 -0.75 4.34 4.32 1o26B1 ARG 174 HB2 -1.10 0.05 -0.03 -0.04 1.90 0.79 1o26B1 ARG 174 HB3 -0.63 -0.09 -0.06 -0.04 1.80 0.98 1o26B1 ARG 174 HG2 -0.80 0.11 -0.02 -0.04 1.67 0.92 1o26B1 ARG 174 HG3 -1.53 -0.04 -0.07 -0.04 1.67 -0.01 1o26B1 ARG 174 HD2 -0.28 -0.11 -0.08 -0.04 3.22 2.71 1o26B1 ARG 174 HD3 -0.19 0.10 -0.34 -0.04 3.22 2.75 1o26B1 ALA 175 H -0.07 0.55 -0.05 -0.55 8.40 8.28 1o26B1 ALA 175 HA -0.03 0.10 0.66 -0.75 4.34 4.32 1o26B1 ALA 175 HB3 0.11 0.03 0.09 -0.04 1.41 1.59 1o26B1 ASP 176 H -0.02 0.57 -0.54 -0.55 8.40 7.87 1o26B1 ASP 176 HA 0.06 -0.23 0.69 -0.75 4.63 4.39 1o26B1 ASP 176 HB2 0.02 0.29 -0.27 -0.04 2.71 2.70 1o26B1 ASP 176 HB3 0.03 0.14 -0.15 -0.04 2.70 2.68 1o26B1 SER 177 H 0.00 0.09 0.16 -0.55 8.46 8.17 1o26B1 SER 177 HA 0.01 0.13 0.35 -0.75 4.49 4.23 1o26B1 SER 177 HB2 -0.09 0.07 0.09 -0.04 3.95 3.99 1o26B1 SER 177 HB3 -0.03 -0.03 0.11 -0.04 3.93 3.93 1o26B1 HIS 178 H 0.09 -0.00 -0.35 -0.55 8.41 7.60 1o26B1 HIS 178 HA 0.03 0.11 0.55 -0.75 4.63 4.56 1o26B1 HIS 178 HB2 -0.01 0.04 -0.01 -0.04 3.26 3.24 1o26B1 HIS 178 HB3 0.00 0.01 0.05 -0.04 3.20 3.21 1o26B1 HIS 178 HD2 0.00 0.01 -0.00 -0.04 6.97 6.94 1o26B1 HIS 178 HE1 -0.02 0.03 -0.01 -0.04 7.75 7.70 1o26B1 ALA 179 H 0.06 0.23 -0.24 -0.55 8.40 7.90 1o26B1 ALA 179 HA 0.03 0.04 0.53 -0.75 4.34 4.18 1o26B1 ALA 179 HB3 -0.04 0.08 0.14 -0.04 1.41 1.54 1o26B1 GLN 180 H 0.04 0.08 0.15 -0.55 8.47 8.20 1o26B1 GLN 180 HA 0.13 0.15 0.46 -0.75 4.36 4.35 1o26B1 GLN 180 HB2 0.11 0.12 0.15 -0.04 2.15 2.49 1o26B1 GLN 180 HB3 0.12 -0.10 0.14 -0.04 2.02 2.13 1o26B1 GLN 180 HG2 0.27 -0.30 -0.06 -0.04 2.40 2.26 1o26B1 GLN 180 HG3 0.20 0.04 0.12 -0.04 2.39 2.72 1o26B1 GLN 180 HE21 -0.09 0.04 -0.01 -0.04 6.97 6.88 1o26B1 GLN 180 HE22 0.22 -0.06 0.01 -0.04 7.69 7.82 1o26B1 TRP 181 H 0.33 0.20 0.20 -0.55 7.97 8.16 1o26B1 TRP 181 HA 0.04 0.15 0.34 -0.75 4.62 4.39 1o26B1 TRP 181 HB2 0.07 0.12 0.18 -0.04 3.23 3.56 1o26B1 TRP 181 HB3 0.09 -0.07 0.14 -0.04 3.23 3.34 1o26B1 TRP 181 HD1 0.04 0.06 0.04 -0.04 7.22 7.32 1o26B1 TRP 181 HE1 0.04 0.03 -0.01 -0.04 10.20 10.22 1o26B1 TRP 181 HE3 0.13 -0.06 -0.13 -0.04 7.59 7.49 1o26B1 TRP 181 HZ2 0.05 0.04 -0.02 -0.04 7.44 7.46 1o26B1 TRP 181 HZ3 0.19 -0.06 -0.01 -0.04 7.13 7.20 1o26B1 TRP 181 HH2 0.09 -0.02 -0.01 -0.04 7.19 7.21 1o26B1 GLU 182 H 0.35 0.09 -0.21 -0.55 8.60 8.28 1o26B1 GLU 182 HA -0.27 0.07 0.41 -0.75 4.29 3.74 1o26B1 GLU 182 HB2 0.28 -0.01 0.05 -0.04 2.09 2.37 1o26B1 GLU 182 HB3 -0.04 0.01 -0.03 -0.04 1.99 1.89 1o26B1 GLU 182 HG2 0.18 0.01 0.01 -0.04 2.34 2.50 1o26B1 GLU 182 HG3 0.22 -0.00 0.04 -0.04 2.34 2.56 1o26B1 ILE 183 H 0.01 0.23 -0.16 -0.55 8.25 7.78 1o26B1 ILE 183 HA 0.05 0.04 0.53 -0.75 4.18 4.04 1o26B1 ILE 183 HB -0.05 -0.05 0.09 -0.04 1.89 1.83 1o26B1 ILE 183 HG12 -0.39 0.00 -0.02 -0.04 1.49 1.05 1o26B1 ILE 183 HG13 -0.19 -0.05 0.04 -0.04 1.21 0.97 1o26B1 ILE 183 HG23 -0.12 0.07 -0.05 -0.04 0.93 0.80 1o26B1 ILE 183 HD13 -0.18 0.04 -0.05 -0.04 0.88 0.65 1o26B1 GLN 184 H -0.15 0.43 -0.29 -0.55 8.47 7.90 1o26B1 GLN 184 HA -0.16 0.28 0.45 -0.75 4.36 4.17 1o26B1 GLN 184 HB2 -0.33 0.20 0.13 -0.04 2.15 2.11 1o26B1 GLN 184 HB3 -0.17 -0.10 -0.06 -0.04 2.02 1.65 1o26B1 GLN 184 HG2 -0.05 0.01 0.02 -0.04 2.40 2.33 1o26B1 GLN 184 HG3 -0.04 0.09 -0.30 -0.04 2.39 2.10 1o26B1 GLN 184 HE21 0.14 -0.07 0.00 -0.04 6.97 7.01 1o26B1 GLN 184 HE22 0.09 0.61 -0.23 -0.04 7.69 8.12 1o26B1 GLN 185 H -0.47 0.40 -0.26 -0.55 8.47 7.59 1o26B1 GLN 185 HA -0.31 0.06 0.39 -0.75 4.36 3.74 1o26B1 GLN 185 HB2 -0.51 0.09 0.12 -0.04 2.15 1.81 1o26B1 GLN 185 HB3 -0.43 -0.04 0.05 -0.04 2.02 1.56 1o26B1 GLN 185 HG2 -1.54 0.24 0.10 -0.04 2.40 1.16 1o26B1 GLN 185 HG3 -1.25 -0.10 0.04 -0.04 2.39 1.03 1o26B1 GLN 185 HE21 -0.45 -0.01 -0.07 -0.04 6.97 6.41 1o26B1 GLN 185 HE22 -1.63 0.26 0.04 -0.04 7.69 6.32 1o26B1 TYR 186 H -0.01 0.29 -0.21 -0.55 8.29 7.80 1o26B1 TYR 186 HA -0.03 0.04 0.42 -0.75 4.56 4.24 1o26B1 TYR 186 HB2 -0.12 0.11 0.12 -0.04 3.06 3.13 1o26B1 TYR 186 HB3 0.06 -0.02 -0.07 -0.04 2.98 2.91 1o26B1 TYR 186 HD2 0.06 0.12 -0.01 -0.04 7.15 7.28 1o26B1 TYR 186 HE2 -0.14 0.05 -0.02 -0.04 6.85 6.71 1o26B1 ALA 187 H -0.10 0.62 -0.21 -0.55 8.40 8.15 1o26B1 ALA 187 HA 0.07 -0.02 0.34 -0.75 4.34 3.97 1o26B1 ALA 187 HB3 -0.21 0.04 -0.11 -0.04 1.41 1.09 1o26B1 LEU 188 H -0.08 0.50 -0.31 -0.55 8.37 7.94 1o26B1 LEU 188 HA 0.01 0.04 0.41 -0.75 4.35 4.05 1o26B1 LEU 188 HB2 -0.08 0.13 0.11 -0.04 1.64 1.75 1o26B1 LEU 188 HB3 -0.03 0.01 -0.03 -0.04 1.64 1.56 1o26B1 LEU 188 HG -0.07 0.20 -0.01 -0.04 1.64 1.73 1o26B1 LEU 188 HD13 -0.05 -0.03 -0.08 -0.04 0.93 0.73 1o26B1 LEU 188 HD23 0.01 -0.01 -0.13 -0.04 0.89 0.72 1o26B1 ALA 189 H -0.04 0.37 -0.29 -0.55 8.40 7.89 1o26B1 ALA 189 HA 0.00 0.04 0.46 -0.75 4.34 4.09 1o26B1 ALA 189 HB3 0.00 0.04 0.05 -0.04 1.41 1.46 1o26B1 ILE 190 H 0.02 0.55 -0.15 -0.55 8.25 8.12 1o26B1 ILE 190 HA -0.06 -0.00 0.34 -0.75 4.18 3.70 1o26B1 ILE 190 HB 0.05 0.13 0.10 -0.04 1.89 2.13 1o26B1 ILE 190 HG12 0.04 0.30 0.00 -0.04 1.49 1.79 1o26B1 ILE 190 HG13 -0.11 -0.03 -0.11 -0.04 1.21 0.92 1o26B1 ILE 190 HG23 -0.20 -0.02 -0.17 -0.04 0.93 0.50 1o26B1 ILE 190 HD13 -0.41 -0.02 -0.09 -0.04 0.88 0.31 1o26B1 ALA 191 H 0.04 0.61 -0.25 -0.55 8.40 8.26 1o26B1 ALA 191 HA 0.16 -0.05 0.37 -0.75 4.34 4.07 1o26B1 ALA 191 HB3 0.14 0.06 0.07 -0.04 1.41 1.64 1o26B1 ARG 192 H -0.02 0.50 -0.27 -0.55 8.46 8.12 1o26B1 ARG 192 HA -0.16 -0.02 0.40 -0.75 4.34 3.81 1o26B1 ARG 192 HB2 -0.02 0.25 0.18 -0.04 1.90 2.27 1o26B1 ARG 192 HB3 0.00 0.07 0.11 -0.04 1.80 1.94 1o26B1 ARG 192 HG2 -0.04 -0.09 0.06 -0.04 1.67 1.57 1o26B1 ARG 192 HG3 -0.01 -0.00 0.01 -0.04 1.67 1.63 1o26B1 ARG 192 HD2 0.01 0.02 -0.15 -0.04 3.22 3.07 1o26B1 ARG 192 HD3 -0.02 -0.06 -0.14 -0.04 3.22 2.96 1o26B1 ILE 193 H 0.06 0.53 -0.23 -0.55 8.25 8.06 1o26B1 ILE 193 HA 0.08 0.02 0.41 -0.75 4.18 3.94 1o26B1 ILE 193 HB 0.30 0.11 0.09 -0.04 1.89 2.35 1o26B1 ILE 193 HG12 0.14 -0.06 -0.04 -0.04 1.49 1.49 1o26B1 ILE 193 HG13 0.13 0.17 0.02 -0.04 1.21 1.49 1o26B1 ILE 193 HG23 0.26 -0.03 -0.12 -0.04 0.93 1.00 1o26B1 ILE 193 HD13 0.31 -0.01 -0.18 -0.04 0.88 0.96 1o26B1 PHE 194 H 0.12 0.63 -0.15 -0.55 8.34 8.40 1o26B1 PHE 194 HA -0.05 -0.04 0.35 -0.75 4.62 4.13 1o26B1 PHE 194 HB2 -0.18 0.06 0.05 -0.04 3.15 3.04 1o26B1 PHE 194 HB3 -0.16 0.14 0.15 -0.04 3.06 3.15 1o26B1 PHE 194 HD2 0.20 0.02 -0.03 -0.04 7.28 7.43 1o26B1 PHE 194 HE2 0.08 -0.02 -0.08 -0.04 7.38 7.32 1o26B1 PHE 194 HZ -0.03 -0.02 -0.12 -0.04 7.32 7.11 1o26B1 LYS 195 H -0.40 0.74 -0.19 -0.55 8.42 8.02 1o26B1 LYS 195 HA -0.50 -0.06 0.22 -0.75 4.32 3.23 1o26B1 LYS 195 HB2 -1.55 0.05 0.08 -0.04 1.87 0.41 1o26B1 LYS 195 HB3 -0.40 0.16 0.13 -0.04 1.79 1.63 1o26B1 LYS 195 HG2 -0.11 -0.00 -0.24 -0.04 1.46 1.06 1o26B1 LYS 195 HG3 -0.04 -0.07 0.02 -0.04 1.46 1.33 1o26B1 LYS 195 HD2 -0.07 0.02 -0.01 -0.04 1.69 1.59 1o26B1 LYS 195 HD3 -0.11 0.01 -0.01 -0.04 1.68 1.52 1o26B1 LYS 195 HE2 0.04 -0.01 -0.04 -0.04 2.99 2.94 1o26B1 LYS 195 HE3 0.16 -0.01 -0.01 -0.04 2.99 3.08 1o26B1 GLU 196 H -0.08 0.43 -0.29 -0.55 8.60 8.11 1o26B1 GLU 196 HA -0.04 0.02 0.48 -0.75 4.29 4.00 1o26B1 GLU 196 HB2 0.02 0.10 0.13 -0.04 2.09 2.30 1o26B1 GLU 196 HB3 0.00 -0.06 0.05 -0.04 1.99 1.94 1o26B1 GLU 196 HG2 -0.02 -0.07 0.01 -0.04 2.34 2.22 1o26B1 GLU 196 HG3 -0.04 0.31 0.10 -0.04 2.34 2.67 1o26B1 LYS 197 H 0.07 0.44 -0.17 -0.55 8.42 8.21 1o26B1 LYS 197 HA 0.01 0.11 0.75 -0.75 4.32 4.43 1o26B1 LYS 197 HB2 0.39 0.05 0.08 -0.04 1.87 2.35 1o26B1 LYS 197 HB3 0.08 -0.06 0.04 -0.04 1.79 1.80 1o26B1 LYS 197 HG2 0.14 0.10 -0.00 -0.04 1.46 1.66 1o26B1 LYS 197 HG3 0.20 -0.04 -0.04 -0.04 1.46 1.54 1o26B1 LYS 197 HD2 -0.00 -0.03 -0.00 -0.04 1.69 1.62 1o26B1 LYS 197 HD3 0.01 0.04 -0.03 -0.04 1.68 1.66 1o26B1 LYS 197 HE2 0.04 0.00 -0.07 -0.04 2.99 2.93 1o26B1 LYS 197 HE3 0.05 -0.01 -0.04 -0.04 2.99 2.95 1o26B1 CYS 198 H -0.03 0.71 -0.11 -0.55 8.50 8.52 1o26B1 CYS 198 HA -0.06 0.00 0.88 -0.75 4.58 4.65 1o26B1 CYS 198 HB2 -0.13 0.14 0.13 -0.04 2.97 3.07 1o26B1 CYS 198 HB3 0.08 -0.22 0.14 -0.04 2.97 2.92 1o26B1 PRO 199 HA 0.06 0.17 0.52 -0.51 4.44 4.68 1o26B1 PRO 199 HB2 0.15 -0.03 0.02 -0.04 2.28 2.39 1o26B1 PRO 199 HB3 0.02 0.19 0.14 -0.04 2.02 2.34 1o26B1 PRO 199 HG2 -0.38 -0.19 0.11 -0.04 2.03 1.53 1o26B1 PRO 199 HG3 -0.14 0.11 0.06 -0.04 2.03 2.02 1o26B1 PRO 199 HD2 -0.18 0.07 -0.08 -0.04 3.68 3.44 1o26B1 PRO 199 HD3 -0.09 0.38 -0.31 -0.04 3.65 3.59 1o26B1 TRP 200 H 0.04 0.09 -0.08 -0.55 7.97 7.47 1o26B1 TRP 200 HA 0.08 0.13 0.44 -0.75 4.62 4.51 1o26B1 TRP 200 HB2 0.10 -0.10 0.10 -0.04 3.23 3.29 1o26B1 TRP 200 HB3 0.10 0.07 0.04 -0.04 3.23 3.40 1o26B1 TRP 200 HD1 0.06 0.02 -0.10 -0.04 7.22 7.15 1o26B1 TRP 200 HE1 0.04 0.06 0.01 -0.04 10.20 10.27 1o26B1 TRP 200 HE3 0.08 0.01 -0.07 -0.04 7.59 7.57 1o26B1 TRP 200 HZ2 0.03 0.03 0.04 -0.04 7.44 7.50 1o26B1 TRP 200 HZ3 0.05 -0.06 -0.13 -0.04 7.13 6.94 1o26B1 TRP 200 HH2 0.03 -0.07 0.07 -0.04 7.19 7.18 1o26B1 THR 201 H 0.23 0.04 -0.17 -0.55 8.28 7.83 1o26B1 THR 201 HA 0.23 0.07 0.38 -0.75 4.39 4.32 1o26B1 THR 201 HB 0.07 0.12 0.09 -0.04 4.32 4.56 1o26B1 THR 201 HG23 0.10 0.02 -0.11 -0.04 1.22 1.19 1o26B1 PHE 202 H -0.03 0.62 -0.13 -0.55 8.34 8.25 1o26B1 PHE 202 HA -0.08 0.01 0.34 -0.75 4.62 4.14 1o26B1 PHE 202 HB2 -0.70 0.05 -0.08 -0.04 3.15 2.37 1o26B1 PHE 202 HB3 -0.15 0.09 0.11 -0.04 3.06 3.07 1o26B1 PHE 202 HD2 0.07 -0.01 -0.08 -0.04 7.28 7.22 1o26B1 PHE 202 HE2 0.11 -0.02 -0.02 -0.04 7.38 7.40 1o26B1 PHE 202 HZ -0.01 0.05 -0.03 -0.04 7.32 7.29 1o26B1 GLU 203 H 0.17 0.60 -0.07 -0.55 8.60 8.76 1o26B1 GLU 203 HA -0.07 0.04 0.43 -0.75 4.29 3.93 1o26B1 GLU 203 HB2 0.15 0.02 0.17 -0.04 2.09 2.39 1o26B1 GLU 203 HB3 0.07 -0.03 0.02 -0.04 1.99 2.01 1o26B1 GLU 203 HG2 0.22 0.17 0.16 -0.04 2.34 2.85 1o26B1 GLU 203 HG3 0.19 -0.09 0.01 -0.04 2.34 2.40 1o26B1 ALA 204 H 0.14 0.58 -0.10 -0.55 8.40 8.47 1o26B1 ALA 204 HA 0.26 0.02 0.41 -0.75 4.34 4.28 1o26B1 ALA 204 HB3 0.19 0.01 0.04 -0.04 1.41 1.60 1o26B1 PHE 205 H 0.16 0.58 -0.22 -0.55 8.34 8.31 1o26B1 PHE 205 HA 0.01 -0.02 0.44 -0.75 4.62 4.29 1o26B1 PHE 205 HB2 0.00 -0.01 0.09 -0.04 3.15 3.19 1o26B1 PHE 205 HB3 -0.14 0.17 0.21 -0.04 3.06 3.26 1o26B1 PHE 205 HD2 -0.07 0.03 -0.02 -0.04 7.28 7.17 1o26B1 PHE 205 HE2 0.05 0.03 -0.12 -0.04 7.38 7.30 1o26B1 PHE 205 HZ 0.24 0.02 -0.02 -0.04 7.32 7.52 1o26B1 LEU 206 H -0.28 0.58 -0.07 -0.55 8.37 8.06 1o26B1 LEU 206 HA -0.53 -0.03 0.41 -0.75 4.35 3.46 1o26B1 LEU 206 HB2 -0.34 0.07 0.13 -0.04 1.64 1.47 1o26B1 LEU 206 HB3 -0.29 0.01 -0.01 -0.04 1.64 1.31 1o26B1 LEU 206 HG -1.19 0.10 0.05 -0.04 1.64 0.55 1o26B1 LEU 206 HD13 -0.27 0.00 -0.02 -0.04 0.93 0.61 1o26B1 LEU 206 HD23 -0.77 -0.03 -0.07 -0.04 0.89 -0.02 1o26B1 LYS 207 H -0.17 0.37 -0.25 -0.55 8.42 7.82 1o26B1 LYS 207 HA -0.25 0.12 0.63 -0.75 4.32 4.06 1o26B1 LYS 207 HB2 -0.26 -0.04 0.07 -0.04 1.87 1.61 1o26B1 LYS 207 HB3 -0.46 0.01 0.12 -0.04 1.79 1.42 1o26B1 LYS 207 HG2 -1.31 0.03 -0.15 -0.04 1.46 -0.01 1o26B1 LYS 207 HG3 -0.41 -0.01 0.07 -0.04 1.46 1.06 1o26B1 LYS 207 HD2 -0.21 -0.03 -0.01 -0.04 1.69 1.39 1o26B1 LYS 207 HD3 -0.43 -0.03 -0.03 -0.04 1.68 1.14 1o26B1 LYS 207 HE2 -0.33 0.02 -0.03 -0.04 2.99 2.61 1o26B1 LYS 207 HE3 -0.19 0.00 -0.00 -0.04 2.99 2.75 1o26B1 TYR 208 H 0.00 0.39 -0.03 -0.55 8.29 8.11 1o26B1 TYR 208 HA -0.05 0.28 1.18 -0.75 4.56 5.21 1o26B1 TYR 208 HB2 -0.02 -0.01 -0.13 -0.04 3.06 2.86 1o26B1 TYR 208 HB3 -0.06 -0.00 0.01 -0.04 2.98 2.89 1o26B1 TYR 208 HD2 -0.03 0.13 0.07 -0.04 7.15 7.27 1o26B1 TYR 208 HE2 -0.01 -0.06 -0.01 -0.04 6.85 6.73 1o26B1 ALA 209 H -0.01 0.32 0.19 -0.55 8.40 8.35 1o26B1 ALA 209 HA 0.04 0.28 1.10 -0.75 4.34 5.00 1o26B1 ALA 209 HB3 0.22 -0.02 0.01 -0.04 1.41 1.58 1o26B1 TYR 210 H -0.41 0.61 0.20 -0.55 8.29 8.14 1o26B1 TYR 210 HA -0.48 -0.10 0.40 -0.75 4.56 3.62 1o26B1 TYR 210 HB2 -1.55 -0.06 -0.07 -0.04 3.06 1.34 1o26B1 TYR 210 HB3 -0.53 0.18 0.13 -0.04 2.98 2.73 1o26B1 TYR 210 HD2 -0.16 0.08 -0.10 -0.04 7.15 6.93 1o26B1 TYR 210 HE2 -0.01 0.10 -0.26 -0.04 6.85 6.64 1o26B1 LYS 211 H -0.22 0.02 0.22 -0.55 8.42 7.89 1o26B1 LYS 211 HA -0.27 0.28 0.92 -0.75 4.32 4.49 1o26B1 LYS 211 HB2 -0.10 -0.06 0.10 -0.04 1.87 1.77 1o26B1 LYS 211 HB3 -0.12 -0.05 0.17 -0.04 1.79 1.75 1o26B1 LYS 211 HG2 -0.05 -0.08 0.02 -0.04 1.46 1.32 1o26B1 LYS 211 HG3 -0.08 0.13 -0.13 -0.04 1.46 1.34 1o26B1 LYS 211 HD2 0.02 0.04 0.04 -0.04 1.69 1.74 1o26B1 LYS 211 HD3 0.02 0.04 0.12 -0.04 1.68 1.81 1o26B1 LYS 211 HE2 0.06 -0.05 0.00 -0.04 2.99 2.97 1o26B1 LYS 211 HE3 0.01 -0.04 0.01 -0.04 2.99 2.93 1o26B1 GLY 212 H -1.70 -0.05 -0.07 -0.55 8.43 6.06 1o26B1 GLY 212 HA2 -0.25 0.13 0.70 -0.51 4.01 4.08 1o26B1 GLY 212 HA3 -0.43 0.15 0.40 -0.51 4.01 3.62 1o26B1 ASP 213 H -0.00 -0.06 0.27 -0.55 8.40 8.06 1o26B1 ASP 213 HA -0.01 0.38 1.06 -0.75 4.63 5.30 1o26B1 ASP 213 HB2 0.01 0.04 -0.02 -0.04 2.71 2.70 1o26B1 ASP 213 HB3 -0.02 0.14 -0.04 -0.04 2.70 2.74 1o26B1 ILE 214 H 0.10 0.01 0.10 -0.55 8.25 7.90 1o26B1 ILE 214 HA 0.07 0.09 0.23 -0.75 4.18 3.81 1o26B1 ILE 214 HB 0.05 0.07 -0.06 -0.04 1.89 1.91 1o26B1 ILE 214 HG12 0.13 0.10 -0.46 -0.04 1.49 1.22 1o26B1 ILE 214 HG13 0.09 0.10 -0.26 -0.04 1.21 1.10 1o26B1 ILE 214 HG23 0.05 -0.02 -0.08 -0.04 0.93 0.83 1o26B1 ILE 214 HD13 0.01 0.01 -0.13 -0.04 0.88 0.73 1o26B1 LEU 215 H 0.27 0.16 -0.30 -0.55 8.37 7.95 1o26B1 LEU 215 HA 0.03 0.18 0.46 -0.75 4.35 4.25 1o26B1 LEU 215 HB2 -0.76 0.02 -0.06 -0.04 1.64 0.79 1o26B1 LEU 215 HB3 -0.24 0.03 0.06 -0.04 1.64 1.45 1o26B1 LEU 215 HG -0.00 -0.04 -0.02 -0.04 1.64 1.53 1o26B1 LEU 215 HD13 -0.23 -0.00 -0.04 -0.04 0.93 0.62 1o26B1 LEU 215 HD23 0.09 0.01 -0.05 -0.04 0.89 0.89 1o26B1 LYS 216 H 0.14 0.47 -0.42 -0.55 8.42 8.06 1o26B1 LYS 216 HA 0.01 0.16 0.76 -0.75 4.32 4.49 1o26B1 LYS 216 HB2 0.08 0.13 0.06 -0.04 1.87 2.10 1o26B1 LYS 216 HB3 0.03 -0.04 0.10 -0.04 1.79 1.83 1o26B1 LYS 216 HG2 0.03 0.02 -0.08 -0.04 1.46 1.39 1o26B1 LYS 216 HG3 0.32 -0.11 -0.18 -0.04 1.46 1.45 1o26B1 LYS 216 HD2 0.00 -0.06 0.01 -0.04 1.69 1.60 1o26B1 LYS 216 HD3 0.05 0.15 -0.01 -0.04 1.68 1.83 1o26B1 LYS 216 HE2 -0.01 0.17 0.01 -0.04 2.99 3.11 1o26B1 LYS 216 HE3 0.01 -0.09 0.03 -0.04 2.99 2.90 1o26B1 GLU 217 H 0.05 0.29 -0.23 -0.55 8.60 8.16 1o26B1 GLU 217 HA 0.02 0.18 0.82 -0.75 4.29 4.56 1o26B1 GLU 217 HB2 0.04 -0.01 -0.02 -0.04 2.09 2.05 1o26B1 GLU 217 HB3 0.03 -0.04 0.11 -0.04 1.99 2.04 1o26B1 GLU 217 HG2 0.02 0.07 -0.16 -0.04 2.34 2.23 1o26B1 GLU 217 HG3 0.03 0.06 -0.27 -0.04 2.34 2.13 1o26B1 VAL 218 H 0.04 0.21 -0.15 -0.55 8.24 7.79 1o26B1 VAL 218 HA 0.03 0.10 0.84 -0.75 4.13 4.35 1o26B1 VAL 218 HB 0.04 0.05 -0.00 -0.04 2.12 2.16 1o26B1 VAL 218 HG13 0.03 -0.00 -0.20 -0.04 0.97 0.76 1o26B1 VAL 218 HG23 0.05 -0.03 -0.20 -0.04 0.95 0.73 1o26B1 GLN 219 H 0.03 0.12 0.05 -0.55 8.47 8.13 1o26B1 GLN 219 HA 0.05 0.09 0.46 -0.75 4.36 4.19 1o26B1 GLN 219 HB2 0.03 -0.02 0.10 -0.04 2.15 2.22 1o26B1 GLN 219 HB3 0.03 0.00 -0.02 -0.04 2.02 1.99 1o26B1 GLN 219 HG2 0.03 0.04 -0.04 -0.04 2.40 2.39 1o26B1 GLN 219 HG3 0.03 0.00 -0.02 -0.04 2.39 2.36 1o26B1 GLN 219 HE21 0.02 -0.01 -0.02 -0.04 6.97 6.92 1o26B1 GLN 219 HE22 0.02 0.02 -0.03 -0.04 7.69 7.66 1o26B1 VAL 220 H 0.07 0.15 0.09 -0.55 8.24 8.00 1o26B1 VAL 220 HA 0.03 0.05 0.15 -0.75 4.13 3.60 1o26B1 VAL 220 HB -0.02 0.00 0.04 -0.04 2.12 2.11 1o26B1 VAL 220 HG13 0.00 -0.00 -0.02 -0.04 0.97 0.91 1o26B1 VAL 220 HG23 0.01 -0.01 -0.29 -0.04 0.95 0.62