============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TRP 6 1.040 22.762 -1.489 23.044 -99.200 -91.000 TRP6 6 1.020 21.051 -0.588 21.873 -99.200 -91.000 TYR 14 0.840 13.495 -15.911 13.371 -99.200 -91.000 PHE 17 1.000 17.638 -13.440 10.940 -99.200 -91.000 TYR 19 0.840 21.934 -20.635 16.274 -99.200 -91.000 PHE 29 1.000 22.718 -10.314 10.631 -99.200 -91.000 PHE 50 1.000 12.232 -9.213 27.992 -99.200 -91.000 PHE 52 1.000 8.729 -12.125 17.253 -99.200 -91.000 HIS 62 0.900 10.496 3.888 27.515 -99.200 -91.000 TYR 86 0.840 18.473 -6.068 11.615 -99.200 -91.000 TYR 87 0.840 19.158 -10.622 6.022 -99.200 -91.000 HIS 112 0.900 -0.882 -31.255 4.224 -99.200 -91.000 PHE 122 1.000 5.856 -12.664 7.952 -99.200 -91.000 HIS 125 0.900 -2.575 -11.758 11.792 -99.200 -91.000 TYR 126 0.840 -1.260 -16.249 4.379 -99.200 -91.000 PHE 138 1.000 4.657 -27.231 17.522 -99.200 -91.000 TYR 150 0.840 12.458 -37.067 15.054 -99.200 -91.000 PHE 170 1.000 16.860 -30.343 10.576 -99.200 -91.000 TRP 185 1.040 3.916 -7.861 -1.451 -99.200 -91.000 TRP6 185 1.020 3.222 -9.932 -2.096 -99.200 -91.000 TRP 224 1.040 26.151 -15.036 12.248 -99.200 -91.000 TRP6 224 1.020 26.158 -16.808 13.785 -99.200 -91.000 TYR 231 0.840 15.197 -14.829 -0.521 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3n26A1 ASP 28 HA 0.00 -0.04 0.11 -0.75 4.63 3.95 3n26A1 ASP 28 HB2 0.01 0.02 -0.14 -0.04 2.71 2.55 3n26A1 ASP 28 HB3 0.01 -0.01 0.04 -0.04 2.70 2.69 3n26A1 ARG 29 H 0.00 0.12 0.05 -0.55 8.46 8.09 3n26A1 ARG 29 HA 0.01 0.14 0.71 -0.75 4.34 4.45 3n26A1 ARG 29 HB2 0.00 -0.01 0.12 -0.04 1.90 1.97 3n26A1 ARG 29 HB3 0.00 0.00 0.18 -0.04 1.80 1.95 3n26A1 ARG 29 HG2 0.00 0.03 0.04 -0.04 1.67 1.70 3n26A1 ARG 29 HG3 0.00 -0.01 0.01 -0.04 1.67 1.64 3n26A1 ARG 29 HD2 0.01 -0.02 -0.39 -0.04 3.22 2.78 3n26A1 ARG 29 HD3 0.01 0.01 -0.09 -0.04 3.22 3.11 3n26A1 ASN 30 H 0.01 0.24 -0.06 -0.55 8.53 8.18 3n26A1 ASN 30 HA 0.02 0.17 0.79 -0.75 4.76 4.98 3n26A1 ASN 30 HB2 0.02 0.01 0.08 -0.04 2.88 2.94 3n26A1 ASN 30 HB3 0.02 0.01 -0.06 -0.04 2.79 2.71 3n26A1 ASN 30 HD21 0.01 0.10 -0.22 -0.04 7.03 6.88 3n26A1 ASN 30 HD22 0.01 0.08 -0.24 -0.04 7.74 7.55 3n26A1 ARG 31 H 0.02 0.27 0.11 -0.55 8.46 8.31 3n26A1 ARG 31 HA 0.03 0.04 0.58 -0.75 4.34 4.24 3n26A1 ARG 31 HB2 0.01 -0.01 0.06 -0.04 1.90 1.93 3n26A1 ARG 31 HB3 0.02 0.09 0.23 -0.04 1.80 2.10 3n26A1 ARG 31 HG2 0.01 0.06 -0.04 -0.04 1.67 1.66 3n26A1 ARG 31 HG3 0.04 0.02 -0.23 -0.04 1.67 1.46 3n26A1 ARG 31 HD2 0.02 -0.04 0.00 -0.04 3.22 3.16 3n26A1 ARG 31 HD3 0.01 -0.01 -0.02 -0.04 3.22 3.17 3n26A1 ILE 32 H 0.06 0.15 0.22 -0.55 8.25 8.13 3n26A1 ILE 32 HA 0.11 0.26 0.72 -0.75 4.18 4.51 3n26A1 ILE 32 HB 0.06 -0.04 0.03 -0.04 1.89 1.90 3n26A1 ILE 32 HG12 0.04 0.14 0.03 -0.04 1.49 1.65 3n26A1 ILE 32 HG13 0.03 -0.03 -0.05 -0.04 1.21 1.13 3n26A1 ILE 32 HG23 0.05 -0.00 -0.22 -0.04 0.93 0.73 3n26A1 ILE 32 HD13 0.04 -0.01 -0.30 -0.04 0.88 0.57 3n26A1 TRP 33 H 0.26 0.73 0.21 -0.55 7.97 8.62 3n26A1 TRP 33 HA 0.00 0.10 0.85 -0.75 4.62 4.81 3n26A1 TRP 33 HB2 -0.00 0.06 -0.09 -0.04 3.23 3.16 3n26A1 TRP 33 HB3 -0.00 0.04 -0.15 -0.04 3.23 3.07 3n26A1 TRP 33 HD1 -0.01 -0.02 -0.16 -0.04 7.22 6.99 3n26A1 TRP 33 HE1 -0.03 0.04 -0.06 -0.04 10.20 10.12 3n26A1 TRP 33 HE3 -0.00 0.04 -0.10 -0.04 7.59 7.48 3n26A1 TRP 33 HZ2 -0.04 -0.04 -0.13 -0.04 7.44 7.19 3n26A1 TRP 33 HZ3 -0.00 0.08 -0.17 -0.04 7.13 6.99 3n26A1 TRP 33 HH2 -0.02 -0.01 -0.14 -0.04 7.19 6.99 3n26A1 ILE 34 H -0.10 0.18 0.08 -0.55 8.25 7.87 3n26A1 ILE 34 HA -0.21 0.29 0.73 -0.75 4.18 4.24 3n26A1 ILE 34 HB -0.09 -0.14 0.16 -0.04 1.89 1.78 3n26A1 ILE 34 HG12 -0.02 0.02 -0.14 -0.04 1.49 1.30 3n26A1 ILE 34 HG13 -0.01 -0.03 -0.16 -0.04 1.21 0.97 3n26A1 ILE 34 HG23 -0.03 0.02 -0.19 -0.04 0.93 0.69 3n26A1 ILE 34 HD13 0.01 0.03 -0.07 -0.04 0.88 0.81 3n26A1 VAL 35 H -0.34 0.67 0.42 -0.55 8.24 8.44 3n26A1 VAL 35 HA -0.42 0.19 0.90 -0.75 4.13 4.05 3n26A1 VAL 35 HB -0.26 -0.01 0.13 -0.04 2.12 1.95 3n26A1 VAL 35 HG13 -0.14 -0.02 -0.19 -0.04 0.97 0.59 3n26A1 VAL 35 HG23 -0.85 0.01 -0.16 -0.04 0.95 -0.10 3n26A1 GLY 36 H -0.13 0.71 0.39 -0.55 8.43 8.85 3n26A1 GLY 36 HA2 0.17 0.33 0.90 -0.51 4.01 4.91 3n26A1 GLY 36 HA3 0.03 -0.02 0.33 -0.51 4.01 3.84 3n26A1 THR 37 H 0.14 0.60 0.37 -0.55 8.28 8.85 3n26A1 THR 37 HA 0.09 0.08 0.47 -0.75 4.39 4.28 3n26A1 THR 37 HB 0.03 0.11 -0.20 -0.04 4.32 4.22 3n26A1 THR 37 HG23 0.03 -0.01 -0.23 -0.04 1.22 0.97 3n26A1 ASN 38 H 0.13 0.23 0.05 -0.55 8.53 8.39 3n26A1 ASN 38 HA 0.10 0.16 0.72 -0.75 4.76 4.98 3n26A1 ASN 38 HB2 0.21 0.16 -0.11 -0.04 2.88 3.09 3n26A1 ASN 38 HB3 0.23 -0.02 0.17 -0.04 2.79 3.13 3n26A1 ASN 38 HD21 0.09 -0.03 0.04 -0.04 7.03 7.09 3n26A1 ASN 38 HD22 0.10 0.44 0.16 -0.04 7.74 8.40 3n26A1 ALA 39 H 0.06 0.22 -0.06 -0.55 8.40 8.08 3n26A1 ALA 39 HA 0.12 0.11 0.10 -0.75 4.34 3.92 3n26A1 ALA 39 HB3 0.04 0.02 -0.08 -0.04 1.41 1.34 3n26A1 THR 40 H 0.15 0.54 0.25 -0.55 8.28 8.68 3n26A1 THR 40 HA 0.12 0.13 0.89 -0.75 4.39 4.78 3n26A1 THR 40 HB 0.09 -0.19 0.27 -0.04 4.32 4.45 3n26A1 THR 40 HG23 0.07 -0.00 -0.24 -0.04 1.22 1.01 3n26A1 TYR 41 H 0.24 0.74 0.19 -0.55 8.29 8.91 3n26A1 TYR 41 HA 0.03 0.12 0.88 -0.75 4.56 4.84 3n26A1 TYR 41 HB2 0.00 0.01 -0.04 -0.04 3.06 3.00 3n26A1 TYR 41 HB3 0.10 -0.05 0.26 -0.04 2.98 3.25 3n26A1 TYR 41 HD2 0.01 -0.08 0.03 -0.04 7.15 7.07 3n26A1 TYR 41 HE2 -0.38 -0.06 0.07 -0.04 6.85 6.44 3n26A1 PRO 42 HA -0.11 -0.03 0.39 -0.51 4.44 4.19 3n26A1 PRO 42 HB2 -0.46 0.15 -0.07 -0.04 2.28 1.86 3n26A1 PRO 42 HB3 -1.09 0.03 0.00 -0.04 2.02 0.93 3n26A1 PRO 42 HG2 -0.17 0.07 0.04 -0.04 2.03 1.93 3n26A1 PRO 42 HG3 -0.18 0.05 0.02 -0.04 2.03 1.87 3n26A1 PRO 42 HD2 -0.07 0.07 0.26 -0.04 3.68 3.90 3n26A1 PRO 42 HD3 0.01 0.07 -0.08 -0.04 3.65 3.61 3n26A1 PRO 43 HA -0.15 0.03 0.27 -0.51 4.44 4.09 3n26A1 PRO 43 HB2 0.13 0.01 0.21 -0.04 2.28 2.59 3n26A1 PRO 43 HB3 -0.01 0.10 0.09 -0.04 2.02 2.15 3n26A1 PRO 43 HG2 -0.61 -0.08 -0.05 -0.04 2.03 1.25 3n26A1 PRO 43 HG3 -0.21 0.24 0.05 -0.04 2.03 2.06 3n26A1 PRO 43 HD2 -0.40 0.00 0.22 -0.04 3.68 3.46 3n26A1 PRO 43 HD3 -0.20 0.16 0.24 -0.04 3.65 3.81 3n26A1 PHE 44 H 0.09 0.44 0.08 -0.55 8.34 8.39 3n26A1 PHE 44 HA 0.03 -0.08 0.64 -0.75 4.62 4.45 3n26A1 PHE 44 HB2 0.26 0.25 0.17 -0.04 3.15 3.80 3n26A1 PHE 44 HB3 0.24 -0.12 -0.03 -0.04 3.06 3.11 3n26A1 PHE 44 HD2 0.05 0.03 -0.08 -0.04 7.28 7.24 3n26A1 PHE 44 HE2 -0.07 0.00 -0.06 -0.04 7.38 7.21 3n26A1 PHE 44 HZ 0.10 0.01 -0.06 -0.04 7.32 7.33 3n26A1 GLU 45 H 0.32 0.52 0.04 -0.55 8.60 8.93 3n26A1 GLU 45 HA 0.00 0.35 0.44 -0.75 4.29 4.34 3n26A1 GLU 45 HB2 0.07 0.02 -0.11 -0.04 2.09 2.02 3n26A1 GLU 45 HB3 0.08 0.05 -0.10 -0.04 1.99 1.98 3n26A1 GLU 45 HG2 0.24 -0.07 0.16 -0.04 2.34 2.63 3n26A1 GLU 45 HG3 0.14 -0.07 -0.26 -0.04 2.34 2.11 3n26A1 TYR 46 H -0.11 0.74 0.22 -0.55 8.29 8.59 3n26A1 TYR 46 HA 0.04 0.16 0.25 -0.75 4.56 4.26 3n26A1 TYR 46 HB2 0.04 0.05 0.03 -0.04 3.06 3.13 3n26A1 TYR 46 HB3 0.04 -0.07 -0.40 -0.04 2.98 2.51 3n26A1 TYR 46 HD2 -0.01 0.02 -0.37 -0.04 7.15 6.76 3n26A1 TYR 46 HE2 0.04 0.01 -0.13 -0.04 6.85 6.72 3n26A1 VAL 47 H 0.18 0.17 0.10 -0.55 8.24 8.15 3n26A1 VAL 47 HA -0.06 0.35 0.69 -0.75 4.13 4.35 3n26A1 VAL 47 HB 0.07 -0.04 0.12 -0.04 2.12 2.24 3n26A1 VAL 47 HG13 0.02 0.04 -0.20 -0.04 0.97 0.78 3n26A1 VAL 47 HG23 0.02 0.01 -0.12 -0.04 0.95 0.83 3n26A1 ASP 48 H -0.08 0.42 0.16 -0.55 8.40 8.36 3n26A1 ASP 48 HA 0.19 0.20 0.69 -0.75 4.63 4.95 3n26A1 ASP 48 HB2 0.10 -0.03 0.12 -0.04 2.71 2.86 3n26A1 ASP 48 HB3 -0.11 0.05 -0.00 -0.04 2.70 2.60 3n26A1 ALA 49 H 0.10 0.17 0.12 -0.55 8.40 8.25 3n26A1 ALA 49 HA 0.05 0.09 0.34 -0.75 4.34 4.07 3n26A1 ALA 49 HB3 0.04 0.02 0.10 -0.04 1.41 1.53 3n26A1 GLN 50 H 0.03 -0.04 -0.41 -0.55 8.47 7.50 3n26A1 GLN 50 HA 0.02 0.27 0.77 -0.75 4.36 4.67 3n26A1 GLN 50 HB2 0.01 -0.06 0.01 -0.04 2.15 2.06 3n26A1 GLN 50 HB3 0.01 0.07 0.13 -0.04 2.02 2.18 3n26A1 GLN 50 HG2 0.02 0.07 -0.10 -0.04 2.40 2.34 3n26A1 GLN 50 HG3 0.02 -0.11 -0.02 -0.04 2.39 2.24 3n26A1 GLN 50 HE21 0.01 0.02 -0.01 -0.04 6.97 6.94 3n26A1 GLN 50 HE22 0.01 0.03 -0.00 -0.04 7.69 7.68 3n26A1 GLY 51 H 0.02 0.81 -0.18 -0.55 8.43 8.53 3n26A1 GLY 51 HA2 0.02 -0.01 0.27 -0.51 4.01 3.78 3n26A1 GLY 51 HA3 0.01 0.11 0.52 -0.51 4.01 4.14 3n26A1 GLU 52 H -0.01 -0.04 -0.28 -0.55 8.60 7.73 3n26A1 GLU 52 HA -0.02 0.22 0.88 -0.75 4.29 4.62 3n26A1 GLU 52 HB2 -0.01 0.04 -0.08 -0.04 2.09 2.00 3n26A1 GLU 52 HB3 -0.02 -0.07 -0.10 -0.04 1.99 1.75 3n26A1 GLU 52 HG2 -0.00 -0.00 -0.07 -0.04 2.34 2.22 3n26A1 GLU 52 HG3 -0.02 -0.01 0.04 -0.04 2.34 2.31 3n26A1 VAL 53 H -0.03 0.18 0.11 -0.55 8.24 7.95 3n26A1 VAL 53 HA -0.09 0.27 0.73 -0.75 4.13 4.28 3n26A1 VAL 53 HB -0.04 0.01 0.18 -0.04 2.12 2.23 3n26A1 VAL 53 HG13 -0.04 -0.03 -0.16 -0.04 0.97 0.70 3n26A1 VAL 53 HG23 -0.02 0.01 -0.06 -0.04 0.95 0.83 3n26A1 VAL 54 H -0.30 0.68 0.37 -0.55 8.24 8.43 3n26A1 VAL 54 HA -0.10 0.20 0.86 -0.75 4.13 4.33 3n26A1 VAL 54 HB 0.12 -0.04 0.05 -0.04 2.12 2.21 3n26A1 VAL 54 HG13 0.00 0.01 -0.26 -0.04 0.97 0.68 3n26A1 VAL 54 HG23 -0.51 0.02 -0.21 -0.04 0.95 0.21 3n26A1 GLY 55 H -0.42 0.22 0.15 -0.55 8.43 7.84 3n26A1 GLY 55 HA2 -2.09 0.11 0.21 -0.51 4.01 1.73 3n26A1 GLY 55 HA3 -0.56 0.15 0.48 -0.51 4.01 3.57 3n26A1 PHE 56 H -1.02 0.74 0.42 -0.55 8.34 7.93 3n26A1 PHE 56 HA -0.76 0.07 0.48 -0.75 4.62 3.64 3n26A1 PHE 56 HB2 -0.47 0.11 0.12 -0.04 3.15 2.86 3n26A1 PHE 56 HB3 -0.46 -0.08 0.14 -0.04 3.06 2.62 3n26A1 PHE 56 HD2 0.24 0.00 -0.17 -0.04 7.28 7.31 3n26A1 PHE 56 HE2 0.38 0.02 -0.13 -0.04 7.38 7.61 3n26A1 PHE 56 HZ 0.27 0.09 -0.06 -0.04 7.32 7.59 3n26A1 ASP 57 H 0.01 0.46 0.07 -0.55 8.40 8.39 3n26A1 ASP 57 HA -0.19 0.07 0.40 -0.75 4.63 4.15 3n26A1 ASP 57 HB2 0.13 0.15 -0.13 -0.04 2.71 2.82 3n26A1 ASP 57 HB3 0.04 0.07 -0.18 -0.04 2.70 2.58 3n26A1 ILE 58 H -0.16 0.25 -0.31 -0.55 8.25 7.48 3n26A1 ILE 58 HA -0.06 0.08 0.49 -0.75 4.18 3.94 3n26A1 ILE 58 HB -0.13 0.02 0.01 -0.04 1.89 1.75 3n26A1 ILE 58 HG12 -0.11 0.03 -0.21 -0.04 1.49 1.15 3n26A1 ILE 58 HG13 -0.09 0.07 -0.38 -0.04 1.21 0.76 3n26A1 ILE 58 HG23 -0.03 0.05 -0.07 -0.04 0.93 0.84 3n26A1 ILE 58 HD13 -0.03 -0.01 -0.15 -0.04 0.88 0.64 3n26A1 ASP 59 H -0.14 0.53 -0.04 -0.55 8.40 8.20 3n26A1 ASP 59 HA 0.03 0.07 0.53 -0.75 4.63 4.50 3n26A1 ASP 59 HB2 0.07 0.08 0.14 -0.04 2.71 2.96 3n26A1 ASP 59 HB3 0.11 -0.00 0.01 -0.04 2.70 2.78 3n26A1 LEU 60 H -0.29 0.47 -0.19 -0.55 8.37 7.81 3n26A1 LEU 60 HA -0.15 0.04 0.40 -0.75 4.35 3.89 3n26A1 LEU 60 HB2 -0.63 0.02 0.09 -0.04 1.64 1.08 3n26A1 LEU 60 HB3 -0.41 0.03 0.16 -0.04 1.64 1.38 3n26A1 LEU 60 HG -0.21 0.01 -0.24 -0.04 1.64 1.16 3n26A1 LEU 60 HD13 -0.09 -0.01 -0.00 -0.04 0.93 0.79 3n26A1 LEU 60 HD23 -0.56 -0.01 -0.07 -0.04 0.89 0.21 3n26A1 ALA 61 H -0.09 0.52 -0.25 -0.55 8.40 8.03 3n26A1 ALA 61 HA 0.12 -0.01 0.31 -0.75 4.34 4.01 3n26A1 ALA 61 HB3 0.01 0.03 0.08 -0.04 1.41 1.50 3n26A1 LYS 62 H 0.01 0.42 -0.32 -0.55 8.42 7.98 3n26A1 LYS 62 HA 0.08 0.00 0.40 -0.75 4.32 4.04 3n26A1 LYS 62 HB2 0.03 0.12 0.18 -0.04 1.87 2.16 3n26A1 LYS 62 HB3 0.03 0.07 0.14 -0.04 1.79 1.99 3n26A1 LYS 62 HG2 0.03 0.00 -0.02 -0.04 1.46 1.44 3n26A1 LYS 62 HG3 0.04 -0.03 0.07 -0.04 1.46 1.50 3n26A1 LYS 62 HD2 0.04 -0.01 0.00 -0.04 1.69 1.68 3n26A1 LYS 62 HD3 0.03 -0.01 0.01 -0.04 1.68 1.67 3n26A1 LYS 62 HE2 0.03 0.01 -0.02 -0.04 2.99 2.96 3n26A1 LYS 62 HE3 0.04 0.01 -0.00 -0.04 2.99 3.00 3n26A1 ALA 63 H 0.00 0.57 -0.08 -0.55 8.40 8.35 3n26A1 ALA 63 HA 0.00 0.01 0.41 -0.75 4.34 4.01 3n26A1 ALA 63 HB3 -0.00 0.00 0.09 -0.04 1.41 1.46 3n26A1 ILE 64 H 0.01 0.64 -0.16 -0.55 8.25 8.19 3n26A1 ILE 64 HA -0.07 0.01 0.45 -0.75 4.18 3.82 3n26A1 ILE 64 HB 0.08 0.06 0.09 -0.04 1.89 2.08 3n26A1 ILE 64 HG12 -0.03 -0.02 -0.10 -0.04 1.49 1.29 3n26A1 ILE 64 HG13 -0.03 0.12 -0.01 -0.04 1.21 1.25 3n26A1 ILE 64 HG23 -0.18 -0.01 -0.12 -0.04 0.93 0.57 3n26A1 ILE 64 HD13 -0.01 -0.03 -0.09 -0.04 0.88 0.71 3n26A1 SER 65 H 0.07 0.65 -0.06 -0.55 8.46 8.57 3n26A1 SER 65 HA -0.48 -0.05 0.29 -0.75 4.49 3.49 3n26A1 SER 65 HB2 0.14 0.05 -0.05 -0.04 3.95 4.04 3n26A1 SER 65 HB3 0.35 0.02 0.10 -0.04 3.93 4.35 3n26A1 GLU 66 H -0.02 0.54 -0.16 -0.55 8.60 8.42 3n26A1 GLU 66 HA -0.04 0.01 0.52 -0.75 4.29 4.04 3n26A1 GLU 66 HB2 -0.01 0.11 0.18 -0.04 2.09 2.33 3n26A1 GLU 66 HB3 -0.02 -0.03 -0.02 -0.04 1.99 1.88 3n26A1 GLU 66 HG2 -0.00 -0.04 0.03 -0.04 2.34 2.28 3n26A1 GLU 66 HG3 -0.01 -0.01 0.06 -0.04 2.34 2.34 3n26A1 LYS 67 H -0.07 0.38 -0.08 -0.55 8.42 8.09 3n26A1 LYS 67 HA -0.06 0.01 0.53 -0.75 4.32 4.05 3n26A1 LYS 67 HB2 -0.11 0.13 0.18 -0.04 1.87 2.03 3n26A1 LYS 67 HB3 -0.08 -0.06 0.04 -0.04 1.79 1.65 3n26A1 LYS 67 HG2 -0.04 0.12 0.12 -0.04 1.46 1.62 3n26A1 LYS 67 HG3 -0.04 -0.03 0.08 -0.04 1.46 1.43 3n26A1 LYS 67 HD2 -0.03 -0.01 0.06 -0.04 1.69 1.66 3n26A1 LYS 67 HD3 -0.03 0.00 0.02 -0.04 1.68 1.63 3n26A1 LYS 67 HE2 -0.01 -0.02 -0.03 -0.04 2.99 2.89 3n26A1 LYS 67 HE3 -0.01 -0.04 -0.05 -0.04 2.99 2.86 3n26A1 LEU 68 H -0.21 0.48 -0.18 -0.55 8.37 7.91 3n26A1 LEU 68 HA -0.18 0.04 0.56 -0.75 4.35 4.02 3n26A1 LEU 68 HB2 -0.43 0.06 0.02 -0.04 1.64 1.24 3n26A1 LEU 68 HB3 -0.34 -0.06 -0.00 -0.04 1.64 1.19 3n26A1 LEU 68 HG -0.51 0.26 -0.11 -0.04 1.64 1.23 3n26A1 LEU 68 HD13 -1.61 -0.04 -0.15 -0.04 0.93 -0.90 3n26A1 LEU 68 HD23 -0.30 -0.02 -0.13 -0.04 0.89 0.39 3n26A1 GLY 69 H -0.10 0.34 -0.36 -0.55 8.43 7.77 3n26A1 GLY 69 HA2 -0.05 0.02 0.32 -0.51 4.01 3.79 3n26A1 GLY 69 HA3 -0.05 0.02 0.60 -0.51 4.01 4.07 3n26A1 LYS 70 H -0.10 0.51 0.06 -0.55 8.42 8.34 3n26A1 LYS 70 HA 0.00 0.21 0.93 -0.75 4.32 4.71 3n26A1 LYS 70 HB2 -0.16 -0.09 -0.14 -0.04 1.87 1.44 3n26A1 LYS 70 HB3 0.09 0.03 -0.17 -0.04 1.79 1.70 3n26A1 LYS 70 HG2 -0.01 0.04 -0.27 -0.04 1.46 1.17 3n26A1 LYS 70 HG3 -0.12 0.10 -0.59 -0.04 1.46 0.82 3n26A1 LYS 70 HD2 -0.19 -0.07 -0.18 -0.04 1.69 1.20 3n26A1 LYS 70 HD3 0.11 0.02 -0.35 -0.04 1.68 1.42 3n26A1 LYS 70 HE2 -0.00 -0.01 -0.12 -0.04 2.99 2.82 3n26A1 LYS 70 HE3 -0.08 0.06 -0.09 -0.04 2.99 2.83 3n26A1 GLN 71 H 0.07 0.69 0.26 -0.55 8.47 8.94 3n26A1 GLN 71 HA 0.07 0.06 0.67 -0.75 4.36 4.40 3n26A1 GLN 71 HB2 0.04 -0.00 0.01 -0.04 2.15 2.15 3n26A1 GLN 71 HB3 0.06 -0.00 -0.04 -0.04 2.02 2.00 3n26A1 GLN 71 HG2 0.06 0.08 -0.37 -0.04 2.40 2.13 3n26A1 GLN 71 HG3 0.05 -0.03 -0.00 -0.04 2.39 2.36 3n26A1 GLN 71 HE21 0.02 -0.02 -0.05 -0.04 6.97 6.88 3n26A1 GLN 71 HE22 0.03 0.06 -0.05 -0.04 7.69 7.68 3n26A1 LEU 72 H 0.12 0.11 0.16 -0.55 8.37 8.22 3n26A1 LEU 72 HA 0.31 0.19 0.45 -0.75 4.35 4.55 3n26A1 LEU 72 HB2 0.26 0.05 0.02 -0.04 1.64 1.93 3n26A1 LEU 72 HB3 0.10 -0.04 0.09 -0.04 1.64 1.75 3n26A1 LEU 72 HG 0.01 -0.05 -0.43 -0.04 1.64 1.13 3n26A1 LEU 72 HD13 -0.02 0.04 -0.05 -0.04 0.93 0.85 3n26A1 LEU 72 HD23 0.05 -0.02 -0.19 -0.04 0.89 0.68 3n26A1 GLU 73 H -0.06 0.59 0.33 -0.55 8.60 8.91 3n26A1 GLU 73 HA -0.01 0.12 0.76 -0.75 4.29 4.40 3n26A1 GLU 73 HB2 0.01 0.03 -0.18 -0.04 2.09 1.91 3n26A1 GLU 73 HB3 -0.04 -0.09 -0.02 -0.04 1.99 1.80 3n26A1 GLU 73 HG2 -0.01 0.04 -0.08 -0.04 2.34 2.24 3n26A1 GLU 73 HG3 0.00 0.04 0.02 -0.04 2.34 2.36 3n26A1 VAL 74 H -0.03 0.19 0.13 -0.55 8.24 7.98 3n26A1 VAL 74 HA -0.07 0.30 1.04 -0.75 4.13 4.64 3n26A1 VAL 74 HB -0.03 -0.01 0.11 -0.04 2.12 2.14 3n26A1 VAL 74 HG13 -0.03 -0.01 -0.17 -0.04 0.97 0.72 3n26A1 VAL 74 HG23 -0.04 -0.00 -0.09 -0.04 0.95 0.77 3n26A1 ARG 75 H -0.01 0.71 0.39 -0.55 8.46 8.99 3n26A1 ARG 75 HA -0.10 0.13 0.84 -0.75 4.34 4.46 3n26A1 ARG 75 HB2 0.18 -0.01 -0.04 -0.04 1.90 1.99 3n26A1 ARG 75 HB3 -0.15 0.04 -0.03 -0.04 1.80 1.62 3n26A1 ARG 75 HG2 -0.01 -0.06 -0.54 -0.04 1.67 1.02 3n26A1 ARG 75 HG3 0.05 0.05 -0.12 -0.04 1.67 1.61 3n26A1 ARG 75 HD2 -0.06 -0.00 0.01 -0.04 3.22 3.12 3n26A1 ARG 75 HD3 -0.07 0.04 0.11 -0.04 3.22 3.26 3n26A1 GLU 76 H -0.30 0.21 0.16 -0.55 8.60 8.13 3n26A1 GLU 76 HA -0.06 0.25 0.84 -0.75 4.29 4.56 3n26A1 GLU 76 HB2 -0.18 0.03 0.07 -0.04 2.09 1.96 3n26A1 GLU 76 HB3 -0.08 -0.03 0.01 -0.04 1.99 1.85 3n26A1 GLU 76 HG2 -0.09 -0.03 -0.12 -0.04 2.34 2.06 3n26A1 GLU 76 HG3 -0.06 0.05 -0.04 -0.04 2.34 2.24 3n26A1 PHE 77 H 0.09 0.65 0.39 -0.55 8.34 8.91 3n26A1 PHE 77 HA -0.00 0.12 0.62 -0.75 4.62 4.60 3n26A1 PHE 77 HB2 -0.03 0.00 -0.16 -0.04 3.15 2.92 3n26A1 PHE 77 HB3 -0.02 -0.05 -0.01 -0.04 3.06 2.94 3n26A1 PHE 77 HD2 -0.03 -0.03 -0.12 -0.04 7.28 7.06 3n26A1 PHE 77 HE2 -0.04 0.01 -0.16 -0.04 7.38 7.15 3n26A1 PHE 77 HZ -0.04 0.09 -0.15 -0.04 7.32 7.18 3n26A1 ALA 78 H 0.14 0.16 0.09 -0.55 8.40 8.25 3n26A1 ALA 78 HA 0.10 0.10 0.58 -0.75 4.34 4.37 3n26A1 ALA 78 HB3 0.07 0.02 0.06 -0.04 1.41 1.52 3n26A1 PHE 79 H 0.21 0.20 0.16 -0.55 8.34 8.36 3n26A1 PHE 79 HA 0.01 0.10 0.24 -0.75 4.62 4.22 3n26A1 PHE 79 HB2 -0.02 0.03 0.15 -0.04 3.15 3.27 3n26A1 PHE 79 HB3 -0.01 0.05 0.12 -0.04 3.06 3.17 3n26A1 PHE 79 HD2 -0.05 -0.00 -0.06 -0.04 7.28 7.13 3n26A1 PHE 79 HE2 -0.07 0.09 -0.01 -0.04 7.38 7.34 3n26A1 PHE 79 HZ -0.07 -0.07 0.00 -0.04 7.32 7.14 3n26A1 ASP 80 H 0.10 0.06 -0.22 -0.55 8.40 7.79 3n26A1 ASP 80 HA -0.14 0.18 0.34 -0.75 4.63 4.26 3n26A1 ASP 80 HB2 0.00 0.07 0.12 -0.04 2.71 2.86 3n26A1 ASP 80 HB3 0.07 -0.02 0.07 -0.04 2.70 2.78 3n26A1 ALA 81 H -0.03 0.37 -0.65 -0.55 8.40 7.55 3n26A1 ALA 81 HA -0.08 0.17 0.78 -0.75 4.34 4.46 3n26A1 ALA 81 HB3 0.02 0.02 0.01 -0.04 1.41 1.42 3n26A1 LEU 82 H -0.20 0.41 -0.20 -0.55 8.37 7.83 3n26A1 LEU 82 HA -0.25 0.07 0.30 -0.75 4.35 3.71 3n26A1 LEU 82 HB2 -0.34 0.13 0.06 -0.04 1.64 1.45 3n26A1 LEU 82 HB3 -0.18 -0.02 -0.14 -0.04 1.64 1.26 3n26A1 LEU 82 HG -0.03 0.11 -0.19 -0.04 1.64 1.49 3n26A1 LEU 82 HD13 -0.06 -0.01 -0.18 -0.04 0.93 0.64 3n26A1 LEU 82 HD23 0.03 0.03 -0.26 -0.04 0.89 0.65 3n26A1 ILE 83 H -0.21 0.18 -0.19 -0.55 8.25 7.48 3n26A1 ILE 83 HA -0.14 0.08 0.40 -0.75 4.18 3.77 3n26A1 ILE 83 HB -0.13 0.03 0.03 -0.04 1.89 1.77 3n26A1 ILE 83 HG12 -0.11 0.02 -0.07 -0.04 1.49 1.29 3n26A1 ILE 83 HG13 -0.19 -0.06 -0.05 -0.04 1.21 0.88 3n26A1 ILE 83 HG23 -0.09 0.03 -0.20 -0.04 0.93 0.63 3n26A1 ILE 83 HD13 -0.10 0.02 -0.04 -0.04 0.88 0.72 3n26A1 LEU 84 H -0.13 0.12 -0.25 -0.55 8.37 7.57 3n26A1 LEU 84 HA -0.11 0.08 0.34 -0.75 4.35 3.91 3n26A1 LEU 84 HB2 -0.08 0.02 0.07 -0.04 1.64 1.61 3n26A1 LEU 84 HB3 -0.10 0.04 0.08 -0.04 1.64 1.61 3n26A1 LEU 84 HG -0.09 0.00 -0.15 -0.04 1.64 1.37 3n26A1 LEU 84 HD13 -0.07 0.01 0.01 -0.04 0.93 0.84 3n26A1 LEU 84 HD23 -0.05 0.00 -0.03 -0.04 0.89 0.78 3n26A1 ASN 85 H -0.22 0.47 -0.23 -0.55 8.53 8.02 3n26A1 ASN 85 HA -0.20 0.05 0.43 -0.75 4.76 4.28 3n26A1 ASN 85 HB2 -0.53 0.09 0.04 -0.04 2.88 2.44 3n26A1 ASN 85 HB3 -0.57 -0.05 -0.16 -0.04 2.79 1.96 3n26A1 ASN 85 HD21 -0.10 -0.06 -0.03 -0.04 7.03 6.80 3n26A1 ASN 85 HD22 -0.29 0.36 0.00 -0.04 7.74 7.78 3n26A1 LEU 86 H -0.21 0.61 -0.18 -0.55 8.37 8.05 3n26A1 LEU 86 HA -0.12 0.08 0.55 -0.75 4.35 4.10 3n26A1 LEU 86 HB2 -0.13 0.01 -0.04 -0.04 1.64 1.44 3n26A1 LEU 86 HB3 -0.12 0.11 0.06 -0.04 1.64 1.65 3n26A1 LEU 86 HG -0.05 -0.00 -0.31 -0.04 1.64 1.23 3n26A1 LEU 86 HD13 -0.04 0.02 -0.36 -0.04 0.93 0.52 3n26A1 LEU 86 HD23 -0.04 -0.05 -0.44 -0.04 0.89 0.32 3n26A1 LYS 87 H -0.15 0.57 -0.08 -0.55 8.42 8.21 3n26A1 LYS 87 HA -0.21 -0.02 0.44 -0.75 4.32 3.77 3n26A1 LYS 87 HB2 -0.13 0.07 0.13 -0.04 1.87 1.89 3n26A1 LYS 87 HB3 -0.14 -0.02 0.04 -0.04 1.79 1.63 3n26A1 LYS 87 HG2 -0.09 -0.00 0.07 -0.04 1.46 1.39 3n26A1 LYS 87 HG3 -0.10 0.06 0.01 -0.04 1.46 1.39 3n26A1 LYS 87 HD2 -0.07 -0.07 -0.11 -0.04 1.69 1.40 3n26A1 LYS 87 HD3 -0.08 -0.05 -0.06 -0.04 1.68 1.45 3n26A1 LYS 87 HE2 -0.06 -0.02 0.02 -0.04 2.99 2.88 3n26A1 LYS 87 HE3 -0.05 0.14 0.08 -0.04 2.99 3.12 3n26A1 LYS 88 H -0.19 0.40 -0.22 -0.55 8.42 7.85 3n26A1 LYS 88 HA -0.20 0.09 0.55 -0.75 4.32 4.01 3n26A1 LYS 88 HB2 -0.12 -0.04 0.08 -0.04 1.87 1.74 3n26A1 LYS 88 HB3 -0.07 -0.03 0.10 -0.04 1.79 1.74 3n26A1 LYS 88 HG2 -0.09 -0.01 -0.01 -0.04 1.46 1.30 3n26A1 LYS 88 HG3 -0.11 0.21 0.04 -0.04 1.46 1.56 3n26A1 LYS 88 HD2 -0.05 -0.01 -0.02 -0.04 1.69 1.57 3n26A1 LYS 88 HD3 -0.06 -0.06 -0.06 -0.04 1.68 1.45 3n26A1 LYS 88 HE2 -0.05 0.04 -0.03 -0.04 2.99 2.91 3n26A1 LYS 88 HE3 -0.03 -0.02 -0.03 -0.04 2.99 2.87 3n26A1 HIS 89 H -0.29 0.32 -0.61 -0.55 8.41 7.29 3n26A1 HIS 89 HA -0.05 0.20 0.39 -0.75 4.63 4.41 3n26A1 HIS 89 HB2 -0.02 0.10 0.21 -0.04 3.26 3.52 3n26A1 HIS 89 HB3 -0.01 -0.07 0.18 -0.04 3.20 3.26 3n26A1 HIS 89 HD2 -0.01 -0.01 -0.09 -0.04 6.97 6.81 3n26A1 HIS 89 HE1 -0.01 -0.14 0.02 -0.04 7.75 7.58 3n26A1 ARG 90 H -0.08 0.38 -0.06 -0.55 8.46 8.14 3n26A1 ARG 90 HA 0.00 0.15 0.79 -0.75 4.34 4.53 3n26A1 ARG 90 HB2 -0.04 0.01 0.04 -0.04 1.90 1.87 3n26A1 ARG 90 HB3 -0.16 -0.01 0.09 -0.04 1.80 1.68 3n26A1 ARG 90 HG2 -0.17 -0.08 -0.09 -0.04 1.67 1.28 3n26A1 ARG 90 HG3 0.01 0.01 -0.15 -0.04 1.67 1.49 3n26A1 ARG 90 HD2 0.07 0.04 0.05 -0.04 3.22 3.34 3n26A1 ARG 90 HD3 0.04 0.01 0.00 -0.04 3.22 3.23 3n26A1 ILE 91 H -0.09 0.34 -0.01 -0.55 8.25 7.94 3n26A1 ILE 91 HA -0.05 0.11 0.54 -0.75 4.18 4.03 3n26A1 ILE 91 HB -0.13 0.01 -0.01 -0.04 1.89 1.71 3n26A1 ILE 91 HG12 -0.26 -0.04 -0.51 -0.04 1.49 0.64 3n26A1 ILE 91 HG13 -0.15 0.02 -0.36 -0.04 1.21 0.68 3n26A1 ILE 91 HG23 -0.10 -0.02 -0.32 -0.04 0.93 0.46 3n26A1 ILE 91 HD13 -0.24 0.03 -0.12 -0.04 0.88 0.51 3n26A1 ASP 92 H -0.16 0.55 0.30 -0.55 8.40 8.54 3n26A1 ASP 92 HA 0.03 0.20 0.93 -0.75 4.63 5.03 3n26A1 ASP 92 HB2 -0.19 0.04 0.10 -0.04 2.71 2.61 3n26A1 ASP 92 HB3 0.18 -0.01 0.09 -0.04 2.70 2.93 3n26A1 ALA 93 H -0.25 0.31 0.29 -0.55 8.40 8.20 3n26A1 ALA 93 HA -0.03 0.33 0.68 -0.75 4.34 4.56 3n26A1 ALA 93 HB3 -0.21 -0.00 -0.08 -0.04 1.41 1.08 3n26A1 ILE 94 H -0.03 0.53 0.27 -0.55 8.25 8.47 3n26A1 ILE 94 HA -0.07 0.31 1.03 -0.75 4.18 4.70 3n26A1 ILE 94 HB -0.02 -0.10 0.18 -0.04 1.89 1.90 3n26A1 ILE 94 HG12 -0.11 0.03 -0.13 -0.04 1.49 1.24 3n26A1 ILE 94 HG13 -0.09 -0.01 -0.34 -0.04 1.21 0.73 3n26A1 ILE 94 HG23 -0.02 -0.01 -0.19 -0.04 0.93 0.67 3n26A1 ILE 94 HD13 -0.12 0.04 -0.31 -0.04 0.88 0.45 3n26A1 LEU 95 H -0.03 0.55 0.11 -0.55 8.37 8.46 3n26A1 LEU 95 HA 0.08 0.11 0.68 -0.75 4.35 4.47 3n26A1 LEU 95 HB2 -0.04 0.04 0.07 -0.04 1.64 1.67 3n26A1 LEU 95 HB3 -0.00 -0.09 0.02 -0.04 1.64 1.53 3n26A1 LEU 95 HG -0.04 0.05 -0.20 -0.04 1.64 1.41 3n26A1 LEU 95 HD13 -0.07 0.03 -0.07 -0.04 0.93 0.78 3n26A1 LEU 95 HD23 -0.33 -0.00 0.02 -0.04 0.89 0.53 3n26A1 ALA 96 H 0.14 0.13 -0.01 -0.55 8.40 8.11 3n26A1 ALA 96 HA 0.13 0.12 0.67 -0.75 4.34 4.50 3n26A1 ALA 96 HB3 0.19 0.04 -0.02 -0.04 1.41 1.58 3n26A1 GLY 97 H 0.15 0.12 0.01 -0.55 8.43 8.17 3n26A1 GLY 97 HA2 -0.27 0.03 0.27 -0.51 4.01 3.53 3n26A1 GLY 97 HA3 -0.37 0.05 0.39 -0.51 4.01 3.57 3n26A1 MET 98 H 0.10 0.02 -0.20 -0.55 8.47 7.84 3n26A1 MET 98 HA 0.15 0.10 0.42 -0.75 4.52 4.44 3n26A1 MET 98 HB2 0.15 -0.04 -0.07 -0.04 2.15 2.15 3n26A1 MET 98 HB3 0.09 0.10 0.10 -0.04 2.03 2.28 3n26A1 MET 98 HG2 0.05 0.15 -0.33 -0.04 2.63 2.46 3n26A1 MET 98 HG3 0.14 -0.01 -0.04 -0.04 2.56 2.61 3n26A1 MET 98 HE3 -0.38 -0.02 -0.06 -0.04 2.10 1.60 3n26A1 SER 99 H 0.11 0.08 0.21 -0.55 8.46 8.31 3n26A1 SER 99 HA -0.04 0.19 0.29 -0.75 4.49 4.18 3n26A1 SER 99 HB2 -0.02 -0.12 0.07 -0.04 3.95 3.85 3n26A1 SER 99 HB3 -0.23 0.18 -0.02 -0.04 3.93 3.82 3n26A1 ILE 100 H -0.07 0.66 0.07 -0.55 8.25 8.36 3n26A1 ILE 100 HA -0.02 0.02 0.56 -0.75 4.18 3.98 3n26A1 ILE 100 HB -0.05 -0.07 0.05 -0.04 1.89 1.78 3n26A1 ILE 100 HG12 0.01 -0.03 -0.17 -0.04 1.49 1.26 3n26A1 ILE 100 HG13 -0.02 0.09 -0.18 -0.04 1.21 1.06 3n26A1 ILE 100 HG23 -0.02 -0.00 -0.13 -0.04 0.93 0.73 3n26A1 ILE 100 HD13 -0.00 -0.02 -0.31 -0.04 0.88 0.50 3n26A1 THR 101 H -0.04 0.20 0.22 -0.55 8.28 8.12 3n26A1 THR 101 HA -0.07 0.28 0.91 -0.75 4.39 4.76 3n26A1 THR 101 HB -0.07 0.12 0.12 -0.04 4.32 4.45 3n26A1 THR 101 HG23 -0.13 0.07 -0.24 -0.04 1.22 0.88 3n26A1 PRO 102 HA -0.02 0.10 0.41 -0.51 4.44 4.42 3n26A1 PRO 102 HB2 -0.02 0.02 0.08 -0.04 2.28 2.32 3n26A1 PRO 102 HB3 -0.01 0.07 0.08 -0.04 2.02 2.11 3n26A1 PRO 102 HG2 -0.01 0.15 0.11 -0.04 2.03 2.24 3n26A1 PRO 102 HG3 -0.01 0.05 0.08 -0.04 2.03 2.11 3n26A1 PRO 102 HD2 -0.03 0.12 0.23 -0.04 3.68 3.96 3n26A1 PRO 102 HD3 -0.03 0.21 0.26 -0.04 3.65 4.05 3n26A1 SER 103 H -0.03 0.17 -0.08 -0.55 8.46 7.97 3n26A1 SER 103 HA -0.02 0.12 0.37 -0.75 4.49 4.20 3n26A1 SER 103 HB2 -0.04 0.06 0.08 -0.04 3.95 4.01 3n26A1 SER 103 HB3 -0.05 -0.06 0.02 -0.04 3.93 3.79 3n26A1 ARG 104 H -0.03 0.07 -0.28 -0.55 8.46 7.66 3n26A1 ARG 104 HA -0.04 0.09 0.50 -0.75 4.34 4.14 3n26A1 ARG 104 HB2 -0.03 -0.01 0.10 -0.04 1.90 1.92 3n26A1 ARG 104 HB3 -0.03 0.01 -0.03 -0.04 1.80 1.71 3n26A1 ARG 104 HG2 -0.04 0.00 -0.02 -0.04 1.67 1.57 3n26A1 ARG 104 HG3 -0.03 -0.08 -0.03 -0.04 1.67 1.49 3n26A1 ARG 104 HD2 -0.01 0.08 0.03 -0.04 3.22 3.28 3n26A1 ARG 104 HD3 -0.01 0.01 -0.03 -0.04 3.22 3.15 3n26A1 GLN 105 H -0.02 0.41 -0.11 -0.55 8.47 8.20 3n26A1 GLN 105 HA -0.01 0.22 0.54 -0.75 4.36 4.36 3n26A1 GLN 105 HB2 -0.01 0.10 0.16 -0.04 2.15 2.36 3n26A1 GLN 105 HB3 -0.01 -0.00 0.07 -0.04 2.02 2.04 3n26A1 GLN 105 HG2 -0.00 -0.03 0.07 -0.04 2.40 2.39 3n26A1 GLN 105 HG3 -0.01 0.00 0.05 -0.04 2.39 2.38 3n26A1 GLN 105 HE21 0.00 -0.01 -0.02 -0.04 6.97 6.90 3n26A1 GLN 105 HE22 0.00 0.01 0.04 -0.04 7.69 7.70 3n26A1 LYS 106 H -0.02 0.26 -0.34 -0.55 8.42 7.76 3n26A1 LYS 106 HA -0.01 0.06 0.52 -0.75 4.32 4.14 3n26A1 LYS 106 HB2 -0.02 0.19 0.10 -0.04 1.87 2.10 3n26A1 LYS 106 HB3 -0.02 -0.04 -0.03 -0.04 1.79 1.66 3n26A1 LYS 106 HG2 -0.01 -0.04 0.02 -0.04 1.46 1.39 3n26A1 LYS 106 HG3 -0.01 -0.01 0.03 -0.04 1.46 1.43 3n26A1 LYS 106 HD2 -0.01 0.10 -0.01 -0.04 1.69 1.72 3n26A1 LYS 106 HD3 -0.01 -0.02 0.02 -0.04 1.68 1.62 3n26A1 LYS 106 HE2 -0.01 -0.01 -0.02 -0.04 2.99 2.91 3n26A1 LYS 106 HE3 -0.01 -0.05 -0.08 -0.04 2.99 2.81 3n26A1 GLU 107 H -0.02 0.35 -0.37 -0.55 8.60 8.02 3n26A1 GLU 107 HA -0.03 0.14 0.72 -0.75 4.29 4.37 3n26A1 GLU 107 HB2 -0.04 0.07 0.10 -0.04 2.09 2.18 3n26A1 GLU 107 HB3 -0.05 -0.09 -0.03 -0.04 1.99 1.79 3n26A1 GLU 107 HG2 -0.03 0.14 -0.00 -0.04 2.34 2.41 3n26A1 GLU 107 HG3 -0.04 -0.09 -0.03 -0.04 2.34 2.14 3n26A1 ILE 108 H -0.02 0.52 0.16 -0.55 8.25 8.36 3n26A1 ILE 108 HA -0.01 0.01 0.83 -0.75 4.18 4.25 3n26A1 ILE 108 HB -0.02 0.06 -0.03 -0.04 1.89 1.86 3n26A1 ILE 108 HG12 -0.04 -0.03 -0.10 -0.04 1.49 1.27 3n26A1 ILE 108 HG13 -0.02 0.04 -0.37 -0.04 1.21 0.82 3n26A1 ILE 108 HG23 -0.05 -0.04 -0.26 -0.04 0.93 0.54 3n26A1 ILE 108 HD13 -0.04 -0.02 -0.17 -0.04 0.88 0.61 3n26A1 ALA 109 H 0.01 0.57 0.23 -0.55 8.40 8.66 3n26A1 ALA 109 HA 0.02 0.14 0.70 -0.75 4.34 4.44 3n26A1 ALA 109 HB3 0.03 0.01 0.01 -0.04 1.41 1.42 3n26A1 LEU 110 H 0.02 0.26 0.12 -0.55 8.37 8.22 3n26A1 LEU 110 HA 0.06 0.23 0.66 -0.75 4.35 4.54 3n26A1 LEU 110 HB2 0.02 0.01 0.03 -0.04 1.64 1.66 3n26A1 LEU 110 HB3 0.04 -0.05 -0.18 -0.04 1.64 1.40 3n26A1 LEU 110 HG 0.01 0.05 -0.70 -0.04 1.64 0.96 3n26A1 LEU 110 HD13 -0.01 0.00 -0.22 -0.04 0.93 0.67 3n26A1 LEU 110 HD23 0.04 -0.00 -0.35 -0.04 0.89 0.54 3n26A1 LEU 111 H 0.11 0.58 0.12 -0.55 8.37 8.63 3n26A1 LEU 111 HA 0.07 0.20 0.72 -0.75 4.35 4.59 3n26A1 LEU 111 HB2 0.13 -0.08 0.10 -0.04 1.64 1.75 3n26A1 LEU 111 HB3 0.09 0.06 0.04 -0.04 1.64 1.78 3n26A1 LEU 111 HG 0.09 0.17 0.01 -0.04 1.64 1.87 3n26A1 LEU 111 HD13 0.06 -0.00 -0.05 -0.04 0.93 0.90 3n26A1 LEU 111 HD23 0.05 -0.05 -0.25 -0.04 0.89 0.60 3n26A1 PRO 112 HA 0.06 0.22 0.36 -0.51 4.44 4.57 3n26A1 PRO 112 HB2 0.03 0.00 -0.07 -0.04 2.28 2.21 3n26A1 PRO 112 HB3 0.00 -0.01 -0.02 -0.04 2.02 1.96 3n26A1 PRO 112 HG2 0.05 0.02 0.08 -0.04 2.03 2.15 3n26A1 PRO 112 HG3 0.03 0.03 0.06 -0.04 2.03 2.11 3n26A1 PRO 112 HD2 0.06 0.07 0.24 -0.04 3.68 4.01 3n26A1 PRO 112 HD3 0.05 0.26 0.24 -0.04 3.65 4.15 3n26A1 TYR 113 H -0.15 0.39 0.33 -0.55 8.29 8.31 3n26A1 TYR 113 HA 0.14 0.21 0.70 -0.75 4.56 4.85 3n26A1 TYR 113 HB2 0.19 -0.05 0.08 -0.04 3.06 3.24 3n26A1 TYR 113 HB3 0.13 0.11 -0.15 -0.04 2.98 3.04 3n26A1 TYR 113 HD2 0.30 0.09 -0.20 -0.04 7.15 7.30 3n26A1 TYR 113 HE2 0.40 0.00 -0.47 -0.04 6.85 6.74 3n26A1 TYR 114 H -0.23 0.26 0.24 -0.55 8.29 8.00 3n26A1 TYR 114 HA 0.06 0.11 0.43 -0.75 4.56 4.41 3n26A1 TYR 114 HB2 0.29 0.14 -0.00 -0.04 3.06 3.45 3n26A1 TYR 114 HB3 -0.08 -0.11 -0.01 -0.04 2.98 2.74 3n26A1 TYR 114 HD2 0.10 -0.02 -0.05 -0.04 7.15 7.14 3n26A1 TYR 114 HE2 0.10 0.00 -0.06 -0.04 6.85 6.85 3n26A1 GLY 115 H -0.56 0.15 0.09 -0.55 8.43 7.56 3n26A1 GLY 115 HA2 -0.67 0.05 0.37 -0.51 4.01 3.25 3n26A1 GLY 115 HA3 -0.52 0.08 0.42 -0.51 4.01 3.48 3n26A1 ASP 116 H -0.17 0.15 0.15 -0.55 8.40 7.98 3n26A1 ASP 116 HA -0.10 0.16 0.78 -0.75 4.63 4.71 3n26A1 ASP 116 HB2 -0.08 0.02 0.14 -0.04 2.71 2.76 3n26A1 ASP 116 HB3 -0.06 0.03 -0.02 -0.04 2.70 2.61 3n26A1 GLU 117 H -0.11 0.11 0.15 -0.55 8.60 8.20 3n26A1 GLU 117 HA -0.17 0.16 0.67 -0.75 4.29 4.20 3n26A1 GLU 117 HB2 -0.11 -0.03 0.14 -0.04 2.09 2.05 3n26A1 GLU 117 HB3 -0.20 -0.03 0.09 -0.04 1.99 1.81 3n26A1 GLU 117 HG2 -0.57 -0.01 -0.27 -0.04 2.34 1.46 3n26A1 GLU 117 HG3 -0.19 0.15 -0.01 -0.04 2.34 2.25 3n26A1 VAL 118 H -0.25 0.85 0.41 -0.55 8.24 8.70 3n26A1 VAL 118 HA -0.31 0.06 0.94 -0.75 4.13 4.06 3n26A1 VAL 118 HB -0.18 0.01 0.22 -0.04 2.12 2.13 3n26A1 VAL 118 HG13 -0.02 -0.04 0.07 -0.04 0.97 0.93 3n26A1 VAL 118 HG23 -0.12 0.02 -0.02 -0.04 0.95 0.79 3n26A1 GLN 119 H -0.41 0.12 0.22 -0.55 8.47 7.85 3n26A1 GLN 119 HA -1.15 0.21 0.83 -0.75 4.36 3.50 3n26A1 GLN 119 HB2 -0.56 -0.00 0.02 -0.04 2.15 1.57 3n26A1 GLN 119 HB3 -1.20 0.04 0.15 -0.04 2.02 0.96 3n26A1 GLN 119 HG2 -2.77 0.05 -0.13 -0.04 2.40 -0.49 3n26A1 GLN 119 HG3 -0.91 -0.04 -0.41 -0.04 2.39 0.99 3n26A1 GLN 119 HE21 -0.10 0.00 -0.03 -0.04 6.97 6.81 3n26A1 GLN 119 HE22 -0.43 -0.01 -0.07 -0.04 7.69 7.14 3n26A1 GLU 120 H -0.20 0.13 0.16 -0.55 8.60 8.15 3n26A1 GLU 120 HA -0.05 0.19 0.76 -0.75 4.29 4.43 3n26A1 GLU 120 HB2 -0.04 0.04 -0.03 -0.04 2.09 2.02 3n26A1 GLU 120 HB3 -0.09 0.06 -0.24 -0.04 1.99 1.68 3n26A1 GLU 120 HG2 -0.18 -0.15 0.02 -0.04 2.34 1.99 3n26A1 GLU 120 HG3 -0.09 0.00 -0.27 -0.04 2.34 1.94 3n26A1 LEU 121 H -0.02 0.72 0.34 -0.55 8.37 8.85 3n26A1 LEU 121 HA -0.03 0.07 0.90 -0.75 4.35 4.53 3n26A1 LEU 121 HB2 -0.00 0.04 0.02 -0.04 1.64 1.65 3n26A1 LEU 121 HB3 -0.03 0.07 0.06 -0.04 1.64 1.70 3n26A1 LEU 121 HG -0.04 -0.01 -0.27 -0.04 1.64 1.28 3n26A1 LEU 121 HD13 -0.01 0.01 -0.09 -0.04 0.93 0.79 3n26A1 LEU 121 HD23 -0.07 -0.00 -0.02 -0.04 0.89 0.75 3n26A1 MET 122 H -0.02 0.72 0.28 -0.55 8.47 8.90 3n26A1 MET 122 HA -0.00 0.19 0.91 -0.75 4.52 4.87 3n26A1 MET 122 HB2 -0.00 -0.07 -0.16 -0.04 2.15 1.88 3n26A1 MET 122 HB3 -0.01 -0.07 -0.05 -0.04 2.03 1.86 3n26A1 MET 122 HG2 -0.01 0.10 -0.38 -0.04 2.63 2.30 3n26A1 MET 122 HG3 0.00 -0.01 -0.15 -0.04 2.56 2.37 3n26A1 MET 122 HE3 0.03 -0.00 -0.23 -0.04 2.10 1.86 3n26A1 VAL 123 H 0.00 0.80 0.32 -0.55 8.24 8.82 3n26A1 VAL 123 HA -0.01 0.28 1.11 -0.75 4.13 4.75 3n26A1 VAL 123 HB 0.01 -0.04 0.08 -0.04 2.12 2.13 3n26A1 VAL 123 HG13 -0.01 0.04 -0.11 -0.04 0.97 0.84 3n26A1 VAL 123 HG23 0.03 -0.01 -0.11 -0.04 0.95 0.83 3n26A1 VAL 124 H -0.05 0.66 0.38 -0.55 8.24 8.67 3n26A1 VAL 124 HA -0.04 0.35 0.90 -0.75 4.13 4.58 3n26A1 VAL 124 HB -0.09 -0.10 0.03 -0.04 2.12 1.92 3n26A1 VAL 124 HG13 -0.10 0.01 -0.17 -0.04 0.97 0.66 3n26A1 VAL 124 HG23 -0.06 -0.01 -0.25 -0.04 0.95 0.59 3n26A1 SER 125 H -0.04 0.50 0.37 -0.55 8.46 8.74 3n26A1 SER 125 HA -0.08 0.20 0.80 -0.75 4.49 4.66 3n26A1 SER 125 HB2 -0.05 0.10 0.15 -0.04 3.95 4.11 3n26A1 SER 125 HB3 -0.07 -0.02 -0.03 -0.04 3.93 3.77 3n26A1 LYS 126 H -0.05 0.23 0.18 -0.55 8.42 8.22 3n26A1 LYS 126 HA -0.03 0.16 0.82 -0.75 4.32 4.52 3n26A1 LYS 126 HB2 -0.02 0.01 0.12 -0.04 1.87 1.94 3n26A1 LYS 126 HB3 -0.01 -0.16 0.09 -0.04 1.79 1.66 3n26A1 LYS 126 HG2 -0.03 -0.00 0.05 -0.04 1.46 1.44 3n26A1 LYS 126 HG3 -0.05 -0.01 -0.01 -0.04 1.46 1.35 3n26A1 LYS 126 HD2 -0.02 0.05 0.05 -0.04 1.69 1.73 3n26A1 LYS 126 HD3 -0.00 -0.06 0.00 -0.04 1.68 1.57 3n26A1 LYS 126 HE2 -0.01 0.07 -0.03 -0.04 2.99 2.97 3n26A1 LYS 126 HE3 0.02 -0.05 0.00 -0.04 2.99 2.92 3n26A1 ARG 127 H -0.00 0.70 0.34 -0.55 8.46 8.94 3n26A1 ARG 127 HA 0.00 0.08 0.56 -0.75 4.34 4.23 3n26A1 ARG 127 HB2 0.00 -0.02 0.13 -0.04 1.90 1.98 3n26A1 ARG 127 HB3 0.00 -0.02 0.04 -0.04 1.80 1.78 3n26A1 ARG 127 HG2 0.00 -0.06 -0.08 -0.04 1.67 1.50 3n26A1 ARG 127 HG3 0.00 0.14 -0.30 -0.04 1.67 1.48 3n26A1 ARG 127 HD2 0.01 0.17 0.02 -0.04 3.22 3.37 3n26A1 ARG 127 HD3 0.00 -0.08 0.01 -0.04 3.22 3.11 3n26A1 SER 128 H 0.00 0.05 -0.16 -0.55 8.46 7.81 3n26A1 SER 128 HA 0.01 0.14 0.52 -0.75 4.49 4.40 3n26A1 SER 128 HB2 0.01 -0.00 0.11 -0.04 3.95 4.02 3n26A1 SER 128 HB3 0.01 -0.02 0.06 -0.04 3.93 3.94 3n26A1 LEU 129 H 0.00 0.35 -0.66 -0.55 8.37 7.52 3n26A1 LEU 129 HA 0.01 -0.08 0.36 -0.75 4.35 3.89 3n26A1 LEU 129 HB2 -0.01 0.09 0.14 -0.04 1.64 1.82 3n26A1 LEU 129 HB3 0.01 0.07 -0.04 -0.04 1.64 1.65 3n26A1 LEU 129 HG -0.02 -0.03 0.10 -0.04 1.64 1.65 3n26A1 LEU 129 HD13 0.01 0.06 -0.12 -0.04 0.93 0.83 3n26A1 LEU 129 HD23 0.05 -0.04 0.03 -0.04 0.89 0.88 3n26A1 GLU 130 H 0.02 -0.00 0.20 -0.55 8.60 8.27 3n26A1 GLU 130 HA 0.02 0.15 0.58 -0.75 4.29 4.28 3n26A1 GLU 130 HB2 0.02 -0.05 0.20 -0.04 2.09 2.21 3n26A1 GLU 130 HB3 0.02 -0.02 0.02 -0.04 1.99 1.96 3n26A1 GLU 130 HG2 0.01 0.06 -0.01 -0.04 2.34 2.36 3n26A1 GLU 130 HG3 0.01 0.03 0.04 -0.04 2.34 2.38 3n26A1 THR 131 H 0.04 -0.03 0.06 -0.55 8.28 7.80 3n26A1 THR 131 HA 0.03 0.06 0.40 -0.75 4.39 4.12 3n26A1 THR 131 HB 0.01 0.05 0.05 -0.04 4.32 4.39 3n26A1 THR 131 HG23 0.05 -0.03 0.06 -0.04 1.22 1.26 3n26A1 PRO 132 HA 0.04 0.05 0.50 -0.51 4.44 4.53 3n26A1 PRO 132 HB2 0.02 0.17 -0.00 -0.04 2.28 2.42 3n26A1 PRO 132 HB3 0.02 -0.04 0.11 -0.04 2.02 2.07 3n26A1 PRO 132 HG2 0.00 0.00 0.08 -0.04 2.03 2.08 3n26A1 PRO 132 HG3 0.01 0.05 0.10 -0.04 2.03 2.15 3n26A1 PRO 132 HD2 -0.01 0.08 0.15 -0.04 3.68 3.86 3n26A1 PRO 132 HD3 0.01 0.09 0.22 -0.04 3.65 3.93 3n26A1 VAL 133 H 0.06 0.08 0.09 -0.55 8.24 7.92 3n26A1 VAL 133 HA 0.20 0.09 0.15 -0.75 4.13 3.82 3n26A1 VAL 133 HB 0.05 -0.08 0.06 -0.04 2.12 2.11 3n26A1 VAL 133 HG13 0.04 -0.01 -0.22 -0.04 0.97 0.73 3n26A1 VAL 133 HG23 0.02 0.02 -0.04 -0.04 0.95 0.92 3n26A1 LEU 134 H 0.06 0.04 -0.17 -0.55 8.37 7.77 3n26A1 LEU 134 HA 0.07 0.03 0.58 -0.75 4.35 4.28 3n26A1 LEU 134 HB2 0.04 -0.00 0.03 -0.04 1.64 1.67 3n26A1 LEU 134 HB3 0.04 -0.02 0.00 -0.04 1.64 1.62 3n26A1 LEU 134 HG 0.06 -0.05 -0.19 -0.04 1.64 1.42 3n26A1 LEU 134 HD13 0.04 0.02 -0.02 -0.04 0.93 0.93 3n26A1 LEU 134 HD23 0.07 0.02 -0.14 -0.04 0.89 0.81 3n26A1 PRO 135 HA 0.03 0.03 0.36 -0.51 4.44 4.34 3n26A1 PRO 135 HB2 -0.02 -0.09 -0.02 -0.04 2.28 2.11 3n26A1 PRO 135 HB3 0.00 0.05 0.08 -0.04 2.02 2.11 3n26A1 PRO 135 HG2 -0.06 0.01 0.00 -0.04 2.03 1.94 3n26A1 PRO 135 HG3 -0.02 0.05 0.05 -0.04 2.03 2.06 3n26A1 PRO 135 HD2 -0.05 0.16 0.26 -0.04 3.68 4.01 3n26A1 PRO 135 HD3 -0.01 0.08 0.15 -0.04 3.65 3.83 3n26A1 LEU 136 H 0.04 0.12 0.13 -0.55 8.37 8.12 3n26A1 LEU 136 HA 0.22 0.24 0.40 -0.75 4.35 4.45 3n26A1 LEU 136 HB2 0.06 -0.01 0.05 -0.04 1.64 1.70 3n26A1 LEU 136 HB3 0.09 0.03 -0.02 -0.04 1.64 1.70 3n26A1 LEU 136 HG 0.09 -0.07 0.00 -0.04 1.64 1.62 3n26A1 LEU 136 HD13 0.08 -0.00 -0.08 -0.04 0.93 0.88 3n26A1 LEU 136 HD23 0.12 0.05 -0.08 -0.04 0.89 0.94 3n26A1 THR 137 H -0.01 -0.02 -0.19 -0.55 8.28 7.51 3n26A1 THR 137 HA -0.01 0.25 0.31 -0.75 4.39 4.19 3n26A1 THR 137 HB -0.02 0.04 -0.01 -0.04 4.32 4.28 3n26A1 THR 137 HG23 -0.01 -0.02 -0.04 -0.04 1.22 1.10 3n26A1 GLN 138 H -0.17 0.25 -0.62 -0.55 8.47 7.39 3n26A1 GLN 138 HA -0.09 0.07 0.50 -0.75 4.36 4.09 3n26A1 GLN 138 HB2 -0.16 -0.07 0.04 -0.04 2.15 1.91 3n26A1 GLN 138 HB3 -0.17 -0.07 -0.03 -0.04 2.02 1.72 3n26A1 GLN 138 HG2 -0.86 0.20 -0.05 -0.04 2.40 1.65 3n26A1 GLN 138 HG3 -0.75 -0.11 -0.36 -0.04 2.39 1.13 3n26A1 GLN 138 HE21 -0.07 0.05 -0.63 -0.04 6.97 6.28 3n26A1 GLN 138 HE22 -0.18 0.25 -0.48 -0.04 7.69 7.24 3n26A1 HIS 139 H -0.04 0.36 -0.23 -0.55 8.41 7.95 3n26A1 HIS 139 HA 0.01 0.09 0.41 -0.75 4.63 4.38 3n26A1 HIS 139 HB2 0.01 0.06 -0.03 -0.04 3.26 3.26 3n26A1 HIS 139 HB3 0.01 -0.10 0.10 -0.04 3.20 3.16 3n26A1 HIS 139 HD2 0.01 -0.07 0.08 -0.04 6.97 6.94 3n26A1 HIS 139 HE1 0.00 0.06 -0.31 -0.04 7.75 7.46 3n26A1 SER 140 H 0.10 0.09 0.20 -0.55 8.46 8.30 3n26A1 SER 140 HA 0.04 0.07 0.43 -0.75 4.49 4.27 3n26A1 SER 140 HB2 0.03 -0.00 0.08 -0.04 3.95 4.02 3n26A1 SER 140 HB3 0.04 -0.01 0.17 -0.04 3.93 4.08 3n26A1 SER 141 H 0.07 0.16 -0.01 -0.55 8.46 8.13 3n26A1 SER 141 HA 0.04 0.28 0.49 -0.75 4.49 4.55 3n26A1 SER 141 HB2 0.05 -0.08 -0.04 -0.04 3.95 3.84 3n26A1 SER 141 HB3 0.04 0.12 -0.13 -0.04 3.93 3.92 3n26A1 VAL 142 H 0.04 0.65 0.33 -0.55 8.24 8.71 3n26A1 VAL 142 HA -0.00 0.22 0.81 -0.75 4.13 4.40 3n26A1 VAL 142 HB 0.03 -0.05 -0.00 -0.04 2.12 2.05 3n26A1 VAL 142 HG13 0.02 -0.01 -0.26 -0.04 0.97 0.68 3n26A1 VAL 142 HG23 0.07 0.01 -0.16 -0.04 0.95 0.83 3n26A1 ALA 143 H 0.01 0.57 0.34 -0.55 8.40 8.77 3n26A1 ALA 143 HA 0.25 0.31 0.79 -0.75 4.34 4.94 3n26A1 ALA 143 HB3 -0.02 -0.02 0.11 -0.04 1.41 1.45 3n26A1 VAL 144 H 0.26 0.60 0.46 -0.55 8.24 9.02 3n26A1 VAL 144 HA 0.03 0.15 0.76 -0.75 4.13 4.32 3n26A1 VAL 144 HB 0.03 0.11 -0.37 -0.04 2.12 1.86 3n26A1 VAL 144 HG13 0.03 0.01 -0.24 -0.04 0.97 0.74 3n26A1 VAL 144 HG23 -0.01 0.04 -0.05 -0.04 0.95 0.88 3n26A1 GLN 145 H 0.01 0.16 0.17 -0.55 8.47 8.27 3n26A1 GLN 145 HA 0.09 0.14 0.76 -0.75 4.36 4.60 3n26A1 GLN 145 HB2 0.02 -0.04 0.05 -0.04 2.15 2.14 3n26A1 GLN 145 HB3 -0.04 -0.09 0.13 -0.04 2.02 1.98 3n26A1 GLN 145 HG2 -0.07 0.17 -0.10 -0.04 2.40 2.35 3n26A1 GLN 145 HG3 0.03 0.11 -0.12 -0.04 2.39 2.36 3n26A1 GLN 145 HE21 0.10 -0.02 0.05 -0.04 6.97 7.05 3n26A1 GLN 145 HE22 0.03 0.45 0.22 -0.04 7.69 8.36 3n26A1 THR 146 H 0.05 0.78 0.31 -0.55 8.28 8.87 3n26A1 THR 146 HA 0.02 0.05 0.39 -0.75 4.39 4.10 3n26A1 THR 146 HB 0.06 -0.06 -0.33 -0.04 4.32 3.95 3n26A1 THR 146 HG23 0.01 -0.01 -0.03 -0.04 1.22 1.15 3n26A1 GLY 147 H 0.06 0.18 0.14 -0.55 8.43 8.27 3n26A1 GLY 147 HA2 0.13 0.07 0.30 -0.51 4.01 4.00 3n26A1 GLY 147 HA3 0.23 -0.03 0.35 -0.51 4.01 4.05 3n26A1 THR 148 H 0.04 0.12 -0.28 -0.55 8.28 7.62 3n26A1 THR 148 HA 0.10 0.21 0.50 -0.75 4.39 4.45 3n26A1 THR 148 HB -0.20 -0.10 0.13 -0.04 4.32 4.10 3n26A1 THR 148 HG23 -0.28 0.09 -0.19 -0.04 1.22 0.80 3n26A1 PHE 149 H 0.12 0.18 0.18 -0.55 8.34 8.27 3n26A1 PHE 149 HA 0.08 0.16 0.38 -0.75 4.62 4.48 3n26A1 PHE 149 HB2 0.04 0.11 0.08 -0.04 3.15 3.34 3n26A1 PHE 149 HB3 0.04 0.02 0.11 -0.04 3.06 3.18 3n26A1 PHE 149 HD2 0.04 0.01 -0.05 -0.04 7.28 7.24 3n26A1 PHE 149 HE2 -0.02 0.03 -0.01 -0.04 7.38 7.34 3n26A1 PHE 149 HZ -0.04 -0.01 0.03 -0.04 7.32 7.26 3n26A1 GLN 150 H -0.70 0.02 -0.11 -0.55 8.47 7.13 3n26A1 GLN 150 HA -0.14 0.17 0.44 -0.75 4.36 4.07 3n26A1 GLN 150 HB2 -0.16 0.09 -0.06 -0.04 2.15 1.99 3n26A1 GLN 150 HB3 -0.62 0.01 -0.00 -0.04 2.02 1.37 3n26A1 GLN 150 HG2 -0.16 0.01 -0.05 -0.04 2.40 2.16 3n26A1 GLN 150 HG3 -0.16 0.09 -0.12 -0.04 2.39 2.17 3n26A1 GLN 150 HE21 -0.11 0.02 0.08 -0.04 6.97 6.93 3n26A1 GLN 150 HE22 -0.09 0.05 0.09 -0.04 7.69 7.69 3n26A1 GLU 151 H -0.05 0.04 -0.31 -0.55 8.60 7.74 3n26A1 GLU 151 HA 0.02 0.08 0.35 -0.75 4.29 3.99 3n26A1 GLU 151 HB2 0.01 0.17 0.01 -0.04 2.09 2.24 3n26A1 GLU 151 HB3 0.05 0.04 0.05 -0.04 1.99 2.09 3n26A1 GLU 151 HG2 0.03 0.06 -0.35 -0.04 2.34 2.04 3n26A1 GLU 151 HG3 0.01 0.03 -0.11 -0.04 2.34 2.23 3n26A1 HIS 152 H 0.19 0.32 -0.30 -0.55 8.41 8.07 3n26A1 HIS 152 HA 0.04 0.04 0.33 -0.75 4.63 4.29 3n26A1 HIS 152 HB2 0.09 -0.03 0.02 -0.04 3.26 3.30 3n26A1 HIS 152 HB3 0.15 0.08 0.10 -0.04 3.20 3.49 3n26A1 HIS 152 HD2 0.14 0.04 -0.27 -0.04 6.97 6.84 3n26A1 HIS 152 HE1 0.03 0.00 -0.04 -0.04 7.75 7.70 3n26A1 TYR 153 H 0.33 0.46 -0.15 -0.55 8.29 8.38 3n26A1 TYR 153 HA 0.11 0.04 0.46 -0.75 4.56 4.42 3n26A1 TYR 153 HB2 0.19 0.01 0.08 -0.04 3.06 3.31 3n26A1 TYR 153 HB3 0.07 0.07 0.12 -0.04 2.98 3.19 3n26A1 TYR 153 HD2 0.08 -0.01 -0.08 -0.04 7.15 7.10 3n26A1 TYR 153 HE2 0.06 -0.02 -0.06 -0.04 6.85 6.79 3n26A1 LEU 154 H 0.10 0.46 -0.18 -0.55 8.37 8.20 3n26A1 LEU 154 HA -0.17 0.01 0.29 -0.75 4.35 3.73 3n26A1 LEU 154 HB2 0.00 0.04 0.11 -0.04 1.64 1.75 3n26A1 LEU 154 HB3 -0.02 0.01 -0.09 -0.04 1.64 1.50 3n26A1 LEU 154 HG 0.11 0.13 0.00 -0.04 1.64 1.84 3n26A1 LEU 154 HD13 0.03 -0.03 -0.16 -0.04 0.93 0.73 3n26A1 LEU 154 HD23 0.08 -0.01 -0.10 -0.04 0.89 0.82 3n26A1 LEU 155 H -0.06 0.55 -0.11 -0.55 8.37 8.20 3n26A1 LEU 155 HA -0.07 0.06 0.36 -0.75 4.35 3.94 3n26A1 LEU 155 HB2 -0.12 0.06 0.05 -0.04 1.64 1.59 3n26A1 LEU 155 HB3 -0.09 -0.04 0.00 -0.04 1.64 1.47 3n26A1 LEU 155 HG -0.02 0.10 0.01 -0.04 1.64 1.69 3n26A1 LEU 155 HD13 -0.01 -0.05 -0.10 -0.04 0.93 0.73 3n26A1 LEU 155 HD23 -0.03 -0.00 0.01 -0.04 0.89 0.82 3n26A1 SER 156 H -0.21 0.36 -0.52 -0.55 8.46 7.54 3n26A1 SER 156 HA -0.14 0.03 0.64 -0.75 4.49 4.26 3n26A1 SER 156 HB2 -0.12 -0.12 0.12 -0.04 3.95 3.80 3n26A1 SER 156 HB3 -0.27 0.03 0.09 -0.04 3.93 3.74 3n26A1 GLN 157 H -0.19 0.53 -0.30 -0.55 8.47 7.95 3n26A1 GLN 157 HA -0.13 0.08 0.70 -0.75 4.36 4.25 3n26A1 GLN 157 HB2 -0.16 0.06 0.11 -0.04 2.15 2.12 3n26A1 GLN 157 HB3 -0.12 -0.03 0.01 -0.04 2.02 1.83 3n26A1 GLN 157 HG2 -0.60 0.30 0.03 -0.04 2.40 2.09 3n26A1 GLN 157 HG3 -0.42 -0.13 -0.04 -0.04 2.39 1.76 3n26A1 GLN 157 HE21 -0.05 -0.05 -0.00 -0.04 6.97 6.82 3n26A1 GLN 157 HE22 -0.09 -0.00 0.01 -0.04 7.69 7.57 3n26A1 PRO 158 HA -0.04 0.07 0.44 -0.51 4.44 4.39 3n26A1 PRO 158 HB2 -0.03 0.00 0.02 -0.04 2.28 2.23 3n26A1 PRO 158 HB3 -0.03 0.01 0.10 -0.04 2.02 2.06 3n26A1 PRO 158 HG2 -0.03 -0.01 0.10 -0.04 2.03 2.05 3n26A1 PRO 158 HG3 -0.04 0.06 0.09 -0.04 2.03 2.10 3n26A1 PRO 158 HD2 -0.05 0.03 0.23 -0.04 3.68 3.85 3n26A1 PRO 158 HD3 -0.06 0.29 0.32 -0.04 3.65 4.15 3n26A1 GLY 159 H -0.03 0.13 0.14 -0.55 8.43 8.13 3n26A1 GLY 159 HA2 -0.02 0.00 0.31 -0.51 4.01 3.79 3n26A1 GLY 159 HA3 -0.02 0.07 0.34 -0.51 4.01 3.89 3n26A1 ILE 160 H -0.03 0.34 -0.41 -0.55 8.25 7.60 3n26A1 ILE 160 HA 0.00 0.16 0.66 -0.75 4.18 4.24 3n26A1 ILE 160 HB -0.04 0.20 0.00 -0.04 1.89 2.00 3n26A1 ILE 160 HG12 -0.00 -0.09 -0.32 -0.04 1.49 1.04 3n26A1 ILE 160 HG13 -0.04 0.15 -0.28 -0.04 1.21 0.99 3n26A1 ILE 160 HG23 0.01 -0.03 -0.29 -0.04 0.93 0.58 3n26A1 ILE 160 HD13 -0.04 -0.01 -0.06 -0.04 0.88 0.73 3n26A1 CYS 161 H 0.02 0.31 0.03 -0.55 8.50 8.32 3n26A1 CYS 161 HA -0.00 0.06 0.73 -0.75 4.58 4.61 3n26A1 CYS 161 HB2 0.01 0.01 0.06 -0.04 2.97 3.01 3n26A1 CYS 161 HB3 0.02 0.13 0.15 -0.04 2.97 3.23 3n26A1 VAL 162 H -0.01 0.21 0.12 -0.55 8.24 8.01 3n26A1 VAL 162 HA 0.02 0.24 0.71 -0.75 4.13 4.34 3n26A1 VAL 162 HB -0.02 -0.02 0.08 -0.04 2.12 2.12 3n26A1 VAL 162 HG13 0.00 -0.03 -0.22 -0.04 0.97 0.68 3n26A1 VAL 162 HG23 -0.01 0.04 -0.27 -0.04 0.95 0.67 3n26A1 ARG 163 H 0.05 0.63 0.25 -0.55 8.46 8.84 3n26A1 ARG 163 HA -0.12 0.14 0.85 -0.75 4.34 4.46 3n26A1 ARG 163 HB2 0.20 -0.04 -0.00 -0.04 1.90 2.02 3n26A1 ARG 163 HB3 -0.15 -0.03 -0.06 -0.04 1.80 1.52 3n26A1 ARG 163 HG2 -0.04 0.03 -0.03 -0.04 1.67 1.59 3n26A1 ARG 163 HG3 0.02 0.01 -0.31 -0.04 1.67 1.35 3n26A1 ARG 163 HD2 0.04 0.07 -0.09 -0.04 3.22 3.20 3n26A1 ARG 163 HD3 0.10 -0.02 -0.13 -0.04 3.22 3.14 3n26A1 SER 164 H -0.29 0.23 0.12 -0.55 8.46 7.97 3n26A1 SER 164 HA 0.00 0.34 0.66 -0.75 4.49 4.74 3n26A1 SER 164 HB2 -0.11 0.01 0.06 -0.04 3.95 3.88 3n26A1 SER 164 HB3 -0.03 -0.11 -0.08 -0.04 3.93 3.66 3n26A1 PHE 165 H 0.14 0.45 0.47 -0.55 8.34 8.85 3n26A1 PHE 165 HA 0.00 0.21 0.79 -0.75 4.62 4.88 3n26A1 PHE 165 HB2 -0.01 0.03 -0.03 -0.04 3.15 3.10 3n26A1 PHE 165 HB3 -0.00 -0.14 0.02 -0.04 3.06 2.90 3n26A1 PHE 165 HD2 -0.01 -0.01 -0.04 -0.04 7.28 7.18 3n26A1 PHE 165 HE2 -0.01 0.05 -0.10 -0.04 7.38 7.28 3n26A1 PHE 165 HZ -0.00 0.06 -0.13 -0.04 7.32 7.21 3n26A1 ASP 166 H 0.16 0.19 0.20 -0.55 8.40 8.40 3n26A1 ASP 166 HA 0.07 0.07 0.55 -0.75 4.63 4.57 3n26A1 ASP 166 HB2 0.09 -0.01 0.16 -0.04 2.71 2.90 3n26A1 ASP 166 HB3 0.07 0.01 -0.00 -0.04 2.70 2.73 3n26A1 SER 167 H 0.11 0.08 0.01 -0.55 8.46 8.11 3n26A1 SER 167 HA 0.07 0.37 1.14 -0.75 4.49 5.31 3n26A1 SER 167 HB2 0.06 0.07 0.20 -0.04 3.95 4.24 3n26A1 SER 167 HB3 0.07 0.08 -0.03 -0.04 3.93 4.01 3n26A1 THR 168 H 0.06 0.65 0.36 -0.55 8.28 8.80 3n26A1 THR 168 HA -0.02 0.05 0.51 -0.75 4.39 4.17 3n26A1 THR 168 HB -0.02 0.02 0.23 -0.04 4.32 4.51 3n26A1 THR 168 HG23 -0.08 0.02 -0.08 -0.04 1.22 1.05 3n26A1 LEU 169 H -0.00 0.15 -0.06 -0.55 8.37 7.91 3n26A1 LEU 169 HA -0.08 0.13 0.46 -0.75 4.35 4.11 3n26A1 LEU 169 HB2 0.03 0.05 0.09 -0.04 1.64 1.76 3n26A1 LEU 169 HB3 0.02 -0.05 0.07 -0.04 1.64 1.64 3n26A1 LEU 169 HG 0.02 0.00 -0.20 -0.04 1.64 1.42 3n26A1 LEU 169 HD13 0.08 0.01 0.01 -0.04 0.93 0.99 3n26A1 LEU 169 HD23 0.07 0.02 -0.02 -0.04 0.89 0.92 3n26A1 GLU 170 H -0.03 0.05 -0.28 -0.55 8.60 7.79 3n26A1 GLU 170 HA -0.11 0.11 0.35 -0.75 4.29 3.89 3n26A1 GLU 170 HB2 0.02 -0.00 0.14 -0.04 2.09 2.20 3n26A1 GLU 170 HB3 -0.09 0.06 -0.05 -0.04 1.99 1.86 3n26A1 GLU 170 HG2 0.03 0.10 0.03 -0.04 2.34 2.46 3n26A1 GLU 170 HG3 0.03 -0.03 0.03 -0.04 2.34 2.32 3n26A1 VAL 171 H -0.15 0.37 -0.21 -0.55 8.24 7.70 3n26A1 VAL 171 HA -0.50 0.04 0.36 -0.75 4.13 3.27 3n26A1 VAL 171 HB -0.11 0.11 0.13 -0.04 2.12 2.21 3n26A1 VAL 171 HG13 -0.10 0.01 -0.26 -0.04 0.97 0.58 3n26A1 VAL 171 HG23 0.04 0.01 -0.21 -0.04 0.95 0.74 3n26A1 ILE 172 H -0.23 0.50 -0.16 -0.55 8.25 7.82 3n26A1 ILE 172 HA -0.31 0.07 0.39 -0.75 4.18 3.57 3n26A1 ILE 172 HB -0.42 0.05 0.11 -0.04 1.89 1.59 3n26A1 ILE 172 HG12 -0.33 0.01 -0.09 -0.04 1.49 1.04 3n26A1 ILE 172 HG13 -0.23 -0.05 -0.06 -0.04 1.21 0.82 3n26A1 ILE 172 HG23 -1.09 0.00 -0.17 -0.04 0.93 -0.36 3n26A1 ILE 172 HD13 -0.23 -0.01 -0.14 -0.04 0.88 0.46 3n26A1 MET 173 H -0.25 0.60 -0.12 -0.55 8.47 8.15 3n26A1 MET 173 HA -0.36 0.00 0.36 -0.75 4.52 3.77 3n26A1 MET 173 HB2 -0.10 0.04 0.09 -0.04 2.15 2.14 3n26A1 MET 173 HB3 0.01 -0.01 0.02 -0.04 2.03 2.00 3n26A1 MET 173 HG2 -0.11 0.17 0.05 -0.04 2.63 2.70 3n26A1 MET 173 HG3 0.02 -0.05 -0.04 -0.04 2.56 2.45 3n26A1 MET 173 HE3 0.18 0.00 -0.01 -0.04 2.10 2.23 3n26A1 GLU 174 H -0.30 0.41 -0.43 -0.55 8.60 7.73 3n26A1 GLU 174 HA -0.11 0.02 0.40 -0.75 4.29 3.85 3n26A1 GLU 174 HB2 -0.56 0.06 0.07 -0.04 2.09 1.63 3n26A1 GLU 174 HB3 -0.37 0.18 0.09 -0.04 1.99 1.84 3n26A1 GLU 174 HG2 -0.13 -0.01 -0.10 -0.04 2.34 2.07 3n26A1 GLU 174 HG3 -0.07 -0.11 -0.15 -0.04 2.34 1.96 3n26A1 VAL 175 H -0.22 0.31 -0.28 -0.55 8.24 7.50 3n26A1 VAL 175 HA -0.11 0.39 0.54 -0.75 4.13 4.20 3n26A1 VAL 175 HB -0.20 0.05 0.03 -0.04 2.12 1.95 3n26A1 VAL 175 HG13 -0.12 0.02 -0.27 -0.04 0.97 0.56 3n26A1 VAL 175 HG23 -0.14 0.03 -0.26 -0.04 0.95 0.54 3n26A1 ARG 176 H -0.30 0.53 -0.02 -0.55 8.46 8.11 3n26A1 ARG 176 HA -0.19 0.00 0.33 -0.75 4.34 3.73 3n26A1 ARG 176 HB2 -0.28 0.00 0.05 -0.04 1.90 1.62 3n26A1 ARG 176 HB3 -0.47 0.00 0.10 -0.04 1.80 1.39 3n26A1 ARG 176 HG2 -1.93 0.04 -0.12 -0.04 1.67 -0.38 3n26A1 ARG 176 HG3 -0.86 0.00 -0.23 -0.04 1.67 0.54 3n26A1 ARG 176 HD2 -0.26 -0.03 -0.05 -0.04 3.22 2.84 3n26A1 ARG 176 HD3 -0.55 -0.03 -0.05 -0.04 3.22 2.55 3n26A1 TYR 177 H -0.18 0.42 -0.36 -0.55 8.29 7.62 3n26A1 TYR 177 HA -0.01 0.23 0.91 -0.75 4.56 4.93 3n26A1 TYR 177 HB2 -0.03 0.08 0.09 -0.04 3.06 3.15 3n26A1 TYR 177 HB3 -0.01 -0.02 0.16 -0.04 2.98 3.07 3n26A1 TYR 177 HD2 -0.01 0.08 -0.05 -0.04 7.15 7.13 3n26A1 TYR 177 HE2 0.02 -0.02 -0.04 -0.04 6.85 6.76 3n26A1 GLY 178 H -0.00 0.42 -0.41 -0.55 8.43 7.89 3n26A1 GLY 178 HA2 0.01 0.06 0.24 -0.51 4.01 3.80 3n26A1 GLY 178 HA3 0.04 0.03 0.32 -0.51 4.01 3.89 3n26A1 LYS 179 H 0.02 0.25 -0.20 -0.55 8.42 7.94 3n26A1 LYS 179 HA 0.03 0.11 0.61 -0.75 4.32 4.32 3n26A1 LYS 179 HB2 0.02 0.03 0.10 -0.04 1.87 1.97 3n26A1 LYS 179 HB3 0.05 -0.06 0.00 -0.04 1.79 1.74 3n26A1 LYS 179 HG2 0.07 0.08 -0.13 -0.04 1.46 1.43 3n26A1 LYS 179 HG3 0.06 -0.08 -0.03 -0.04 1.46 1.37 3n26A1 LYS 179 HD2 0.04 -0.04 0.01 -0.04 1.69 1.66 3n26A1 LYS 179 HD3 0.04 0.09 -0.11 -0.04 1.68 1.65 3n26A1 LYS 179 HE2 0.03 0.05 -0.03 -0.04 2.99 3.00 3n26A1 LYS 179 HE3 0.03 -0.06 -0.02 -0.04 2.99 2.90 3n26A1 SER 180 H -0.02 0.42 -0.08 -0.55 8.46 8.22 3n26A1 SER 180 HA 0.01 0.18 0.64 -0.75 4.49 4.57 3n26A1 SER 180 HB2 -0.04 -0.11 -0.14 -0.04 3.95 3.62 3n26A1 SER 180 HB3 -0.02 0.14 -0.03 -0.04 3.93 3.97 3n26A1 PRO 181 HA -0.06 0.10 0.58 -0.51 4.44 4.55 3n26A1 PRO 181 HB2 -0.15 0.06 0.02 -0.04 2.28 2.16 3n26A1 PRO 181 HB3 -0.00 0.00 0.11 -0.04 2.02 2.09 3n26A1 PRO 181 HG2 -0.15 0.11 0.14 -0.04 2.03 2.09 3n26A1 PRO 181 HG3 0.07 -0.06 0.14 -0.04 2.03 2.14 3n26A1 PRO 181 HD2 -0.01 0.28 0.32 -0.04 3.68 4.23 3n26A1 PRO 181 HD3 0.01 0.15 0.13 -0.04 3.65 3.90 3n26A1 VAL 182 H -0.15 0.23 0.01 -0.55 8.24 7.78 3n26A1 VAL 182 HA -0.14 0.32 0.94 -0.75 4.13 4.50 3n26A1 VAL 182 HB -0.14 0.01 0.16 -0.04 2.12 2.11 3n26A1 VAL 182 HG13 -0.46 0.01 -0.19 -0.04 0.97 0.28 3n26A1 VAL 182 HG23 -0.17 -0.01 -0.08 -0.04 0.95 0.65 3n26A1 ALA 183 H -0.09 0.55 0.41 -0.55 8.40 8.72 3n26A1 ALA 183 HA -0.04 0.17 0.85 -0.75 4.34 4.56 3n26A1 ALA 183 HB3 -0.10 -0.01 -0.05 -0.04 1.41 1.20 3n26A1 VAL 184 H -0.02 0.58 0.33 -0.55 8.24 8.57 3n26A1 VAL 184 HA -0.02 0.35 1.12 -0.75 4.13 4.82 3n26A1 VAL 184 HB 0.00 -0.02 0.06 -0.04 2.12 2.12 3n26A1 VAL 184 HG13 -0.01 -0.03 -0.18 -0.04 0.97 0.71 3n26A1 VAL 184 HG23 0.03 0.01 -0.21 -0.04 0.95 0.73 3n26A1 LEU 185 H -0.03 0.80 0.35 -0.55 8.37 8.93 3n26A1 LEU 185 HA -0.04 0.06 0.82 -0.75 4.35 4.43 3n26A1 LEU 185 HB2 -0.03 0.05 -0.00 -0.04 1.64 1.62 3n26A1 LEU 185 HB3 -0.03 -0.06 0.11 -0.04 1.64 1.61 3n26A1 LEU 185 HG -0.06 0.01 -0.34 -0.04 1.64 1.21 3n26A1 LEU 185 HD13 -0.07 0.01 -0.14 -0.04 0.93 0.69 3n26A1 LEU 185 HD23 -0.06 0.03 -0.02 -0.04 0.89 0.80 3n26A1 GLU 186 H -0.02 0.10 0.19 -0.55 8.60 8.32 3n26A1 GLU 186 HA -0.03 0.25 0.91 -0.75 4.29 4.68 3n26A1 GLU 186 HB2 0.07 -0.13 0.16 -0.04 2.09 2.14 3n26A1 GLU 186 HB3 0.08 0.08 0.17 -0.04 1.99 2.27 3n26A1 GLU 186 HG2 -0.07 0.10 0.11 -0.04 2.34 2.44 3n26A1 GLU 186 HG3 -0.13 -0.07 0.11 -0.04 2.34 2.22 3n26A1 PRO 187 HA 0.01 0.09 0.22 -0.51 4.44 4.26 3n26A1 PRO 187 HB2 -0.32 0.02 0.05 -0.04 2.28 2.00 3n26A1 PRO 187 HB3 -0.07 0.08 0.00 -0.04 2.02 1.99 3n26A1 PRO 187 HG2 -0.21 0.08 0.09 -0.04 2.03 1.95 3n26A1 PRO 187 HG3 -0.08 0.01 -0.18 -0.04 2.03 1.74 3n26A1 PRO 187 HD2 -0.04 0.09 0.31 -0.04 3.68 4.00 3n26A1 PRO 187 HD3 -0.03 0.16 0.42 -0.04 3.65 4.16 3n26A1 SER 188 H 0.05 0.09 -0.19 -0.55 8.46 7.86 3n26A1 SER 188 HA 0.28 0.16 0.33 -0.75 4.49 4.50 3n26A1 SER 188 HB2 0.33 0.08 0.05 -0.04 3.95 4.37 3n26A1 SER 188 HB3 0.25 0.02 0.08 -0.04 3.93 4.24 3n26A1 VAL 189 H 0.09 0.01 -0.08 -0.55 8.24 7.71 3n26A1 VAL 189 HA -0.02 0.14 0.54 -0.75 4.13 4.03 3n26A1 VAL 189 HB -0.02 -0.05 0.16 -0.04 2.12 2.16 3n26A1 VAL 189 HG13 -0.12 0.04 -0.07 -0.04 0.97 0.78 3n26A1 VAL 189 HG23 -0.15 0.01 0.08 -0.04 0.95 0.85 3n26A1 GLY 190 H 0.01 0.64 -0.11 -0.55 8.43 8.42 3n26A1 GLY 190 HA2 -0.01 -0.02 0.32 -0.51 4.01 3.78 3n26A1 GLY 190 HA3 0.00 0.06 0.16 -0.51 4.01 3.73 3n26A1 ARG 191 H 0.06 0.51 -0.25 -0.55 8.46 8.22 3n26A1 ARG 191 HA 0.03 0.03 0.36 -0.75 4.34 4.00 3n26A1 ARG 191 HB2 0.08 0.10 0.14 -0.04 1.90 2.17 3n26A1 ARG 191 HB3 0.02 -0.01 0.03 -0.04 1.80 1.81 3n26A1 ARG 191 HG2 0.06 -0.04 -0.04 -0.04 1.67 1.61 3n26A1 ARG 191 HG3 0.12 0.20 0.07 -0.04 1.67 2.03 3n26A1 ARG 191 HD2 0.13 -0.04 -0.06 -0.04 3.22 3.20 3n26A1 ARG 191 HD3 0.02 0.01 -0.04 -0.04 3.22 3.17 3n26A1 VAL 192 H 0.00 0.29 -0.21 -0.55 8.24 7.77 3n26A1 VAL 192 HA -0.02 0.12 0.50 -0.75 4.13 3.98 3n26A1 VAL 192 HB -0.06 -0.02 0.16 -0.04 2.12 2.17 3n26A1 VAL 192 HG13 -0.05 -0.02 -0.07 -0.04 0.97 0.79 3n26A1 VAL 192 HG23 -0.05 0.08 0.07 -0.04 0.95 1.01 3n26A1 VAL 193 H -0.01 0.65 0.04 -0.55 8.24 8.36 3n26A1 VAL 193 HA 0.02 0.07 0.21 -0.75 4.13 3.67 3n26A1 VAL 193 HB 0.07 -0.06 0.02 -0.04 2.12 2.10 3n26A1 VAL 193 HG13 -0.09 0.00 -0.05 -0.04 0.97 0.80 3n26A1 VAL 193 HG23 -0.03 0.04 -0.12 -0.04 0.95 0.80 3n26A1 LEU 194 H 0.04 0.52 -0.23 -0.55 8.37 8.15 3n26A1 LEU 194 HA 0.21 0.03 0.46 -0.75 4.35 4.30 3n26A1 LEU 194 HB2 0.03 0.22 0.01 -0.04 1.64 1.86 3n26A1 LEU 194 HB3 0.04 0.05 -0.04 -0.04 1.64 1.65 3n26A1 LEU 194 HG -0.00 -0.02 -0.06 -0.04 1.64 1.52 3n26A1 LEU 194 HD13 -0.00 0.02 -0.25 -0.04 0.93 0.65 3n26A1 LEU 194 HD23 -0.02 -0.02 -0.14 -0.04 0.89 0.67 3n26A1 LYS 195 H 0.02 0.33 -0.45 -0.55 8.42 7.77 3n26A1 LYS 195 HA -0.01 0.05 0.49 -0.75 4.32 4.09 3n26A1 LYS 195 HB2 -0.03 0.12 0.08 -0.04 1.87 2.00 3n26A1 LYS 195 HB3 -0.03 -0.07 0.05 -0.04 1.79 1.69 3n26A1 LYS 195 HG2 -0.01 -0.06 0.09 -0.04 1.46 1.43 3n26A1 LYS 195 HG3 -0.01 0.25 0.20 -0.04 1.46 1.86 3n26A1 LYS 195 HD2 -0.03 -0.04 0.05 -0.04 1.69 1.63 3n26A1 LYS 195 HD3 -0.02 -0.06 0.05 -0.04 1.68 1.60 3n26A1 LYS 195 HE2 -0.02 0.02 0.08 -0.04 2.99 3.03 3n26A1 LYS 195 HE3 -0.03 -0.06 0.04 -0.04 2.99 2.89 3n26A1 ASP 196 H -0.03 0.33 -0.36 -0.55 8.40 7.80 3n26A1 ASP 196 HA -0.20 0.13 0.63 -0.75 4.63 4.44 3n26A1 ASP 196 HB2 -0.40 0.13 0.05 -0.04 2.71 2.45 3n26A1 ASP 196 HB3 -0.59 -0.07 0.12 -0.04 2.70 2.12 3n26A1 PHE 197 H 0.06 0.41 -0.48 -0.55 8.34 7.78 3n26A1 PHE 197 HA -0.04 0.14 0.85 -0.75 4.62 4.81 3n26A1 PHE 197 HB2 -0.06 0.01 0.13 -0.04 3.15 3.19 3n26A1 PHE 197 HB3 -0.07 -0.08 0.09 -0.04 3.06 2.96 3n26A1 PHE 197 HD2 -0.08 0.12 -0.05 -0.04 7.28 7.22 3n26A1 PHE 197 HE2 -0.08 -0.03 -0.06 -0.04 7.38 7.17 3n26A1 PHE 197 HZ -0.06 -0.07 -0.05 -0.04 7.32 7.11 3n26A1 PRO 198 HA 0.02 0.18 0.29 -0.51 4.44 4.42 3n26A1 PRO 198 HB2 -0.00 0.00 0.02 -0.04 2.28 2.26 3n26A1 PRO 198 HB3 -0.01 0.07 0.09 -0.04 2.02 2.12 3n26A1 PRO 198 HG2 -0.01 -0.02 0.02 -0.04 2.03 1.97 3n26A1 PRO 198 HG3 -0.03 0.04 0.03 -0.04 2.03 2.02 3n26A1 PRO 198 HD2 -0.04 0.08 0.06 -0.04 3.68 3.74 3n26A1 PRO 198 HD3 -0.08 0.20 -0.27 -0.04 3.65 3.46 3n26A1 ASN 199 H 0.04 0.05 -0.25 -0.55 8.53 7.83 3n26A1 ASN 199 HA 0.01 0.19 0.89 -0.75 4.76 5.10 3n26A1 ASN 199 HB2 0.03 -0.01 0.05 -0.04 2.88 2.91 3n26A1 ASN 199 HB3 0.01 -0.07 0.17 -0.04 2.79 2.86 3n26A1 ASN 199 HD21 0.02 0.01 -0.00 -0.04 7.03 7.01 3n26A1 ASN 199 HD22 0.03 0.00 0.02 -0.04 7.74 7.75 3n26A1 LEU 200 H 0.04 0.54 -0.15 -0.55 8.37 8.26 3n26A1 LEU 200 HA -0.02 0.17 0.90 -0.75 4.35 4.65 3n26A1 LEU 200 HB2 0.02 0.11 0.06 -0.04 1.64 1.78 3n26A1 LEU 200 HB3 -0.05 -0.04 0.00 -0.04 1.64 1.52 3n26A1 LEU 200 HG 0.01 -0.05 -0.09 -0.04 1.64 1.47 3n26A1 LEU 200 HD13 -0.25 -0.02 -0.09 -0.04 0.93 0.53 3n26A1 LEU 200 HD23 -0.08 -0.01 -0.32 -0.04 0.89 0.44 3n26A1 VAL 201 H -0.02 0.59 0.33 -0.55 8.24 8.60 3n26A1 VAL 201 HA 0.00 0.22 0.96 -0.75 4.13 4.55 3n26A1 VAL 201 HB -0.00 0.03 -0.25 -0.04 2.12 1.85 3n26A1 VAL 201 HG13 0.00 0.00 0.03 -0.04 0.97 0.96 3n26A1 VAL 201 HG23 -0.00 -0.01 -0.15 -0.04 0.95 0.74 3n26A1 ALA 202 H 0.00 0.17 0.15 -0.55 8.40 8.17 3n26A1 ALA 202 HA -0.01 0.28 0.79 -0.75 4.34 4.64 3n26A1 ALA 202 HB3 0.01 -0.02 -0.06 -0.04 1.41 1.29 3n26A1 THR 203 H 0.00 0.74 0.34 -0.55 8.28 8.82 3n26A1 THR 203 HA 0.01 0.06 0.65 -0.75 4.39 4.36 3n26A1 THR 203 HB 0.02 0.05 0.14 -0.04 4.32 4.49 3n26A1 THR 203 HG23 0.01 0.03 -0.26 -0.04 1.22 0.96 3n26A1 ARG 204 H 0.02 0.14 0.12 -0.55 8.46 8.19 3n26A1 ARG 204 HA 0.01 0.00 0.71 -0.75 4.34 4.30 3n26A1 ARG 204 HB2 0.01 0.00 0.13 -0.04 1.90 2.01 3n26A1 ARG 204 HB3 0.01 0.00 -0.05 -0.04 1.80 1.72 3n26A1 ARG 204 HG2 0.01 -0.00 -0.04 -0.04 1.67 1.60 3n26A1 ARG 204 HG3 0.00 0.00 -0.04 -0.04 1.67 1.60 3n26A1 ARG 204 HD2 -0.02 -0.03 -0.07 -0.04 3.22 3.06 3n26A1 ARG 204 HD3 0.00 0.00 0.06 -0.04 3.22 3.24 3n26A1 LEU 205 H 0.01 0.65 0.35 -0.55 8.37 8.84 3n26A1 LEU 205 HA 0.05 0.16 0.77 -0.75 4.35 4.57 3n26A1 LEU 205 HB2 0.05 0.01 -0.01 -0.04 1.64 1.64 3n26A1 LEU 205 HB3 0.04 -0.09 0.06 -0.04 1.64 1.61 3n26A1 LEU 205 HG 0.08 -0.00 -0.04 -0.04 1.64 1.64 3n26A1 LEU 205 HD13 0.17 -0.00 -0.10 -0.04 0.93 0.96 3n26A1 LEU 205 HD23 0.09 0.04 0.02 -0.04 0.89 1.01 3n26A1 GLU 206 H 0.05 0.15 0.08 -0.55 8.60 8.33 3n26A1 GLU 206 HA 0.03 0.06 0.54 -0.75 4.29 4.17 3n26A1 GLU 206 HB2 0.09 -0.03 0.05 -0.04 2.09 2.15 3n26A1 GLU 206 HB3 0.14 0.16 0.06 -0.04 1.99 2.31 3n26A1 GLU 206 HG2 0.04 -0.02 -0.01 -0.04 2.34 2.31 3n26A1 GLU 206 HG3 0.05 -0.05 0.02 -0.04 2.34 2.32 3n26A1 LEU 207 H 0.13 0.58 0.31 -0.55 8.37 8.85 3n26A1 LEU 207 HA -0.06 0.14 0.77 -0.75 4.35 4.44 3n26A1 LEU 207 HB2 0.36 0.00 -0.17 -0.04 1.64 1.80 3n26A1 LEU 207 HB3 0.10 0.06 -0.14 -0.04 1.64 1.62 3n26A1 LEU 207 HG -0.08 -0.09 -0.26 -0.04 1.64 1.17 3n26A1 LEU 207 HD13 0.10 0.00 -0.31 -0.04 0.93 0.68 3n26A1 LEU 207 HD23 -0.64 0.00 -0.11 -0.04 0.89 0.10 3n26A1 PRO 208 HA -0.10 0.18 0.65 -0.51 4.44 4.65 3n26A1 PRO 208 HB2 -0.07 -0.06 0.05 -0.04 2.28 2.16 3n26A1 PRO 208 HB3 0.00 0.07 0.11 -0.04 2.02 2.17 3n26A1 PRO 208 HG2 0.10 -0.05 0.03 -0.04 2.03 2.07 3n26A1 PRO 208 HG3 0.16 0.10 0.05 -0.04 2.03 2.31 3n26A1 PRO 208 HD2 -0.01 0.07 0.17 -0.04 3.68 3.87 3n26A1 PRO 208 HD3 0.17 0.21 0.14 -0.04 3.65 4.13 3n26A1 PRO 209 HA -3.07 0.11 0.28 -0.51 4.44 1.25 3n26A1 PRO 209 HB2 -0.64 0.05 0.03 -0.04 2.28 1.68 3n26A1 PRO 209 HB3 -1.08 0.05 0.12 -0.04 2.02 1.07 3n26A1 PRO 209 HG2 -0.33 0.02 0.12 -0.04 2.03 1.80 3n26A1 PRO 209 HG3 -0.34 0.07 0.10 -0.04 2.03 1.82 3n26A1 PRO 209 HD2 -0.25 0.09 0.25 -0.04 3.68 3.72 3n26A1 PRO 209 HD3 -0.39 0.20 0.21 -0.04 3.65 3.63 3n26A1 GLU 210 H -0.28 0.10 -0.16 -0.55 8.60 7.71 3n26A1 GLU 210 HA -0.15 0.10 0.45 -0.75 4.29 3.93 3n26A1 GLU 210 HB2 -0.03 0.03 0.04 -0.04 2.09 2.09 3n26A1 GLU 210 HB3 -0.09 -0.00 0.09 -0.04 1.99 1.94 3n26A1 GLU 210 HG2 -0.04 -0.02 -0.09 -0.04 2.34 2.15 3n26A1 GLU 210 HG3 -0.01 0.04 -0.03 -0.04 2.34 2.29 3n26A1 CYS 211 H -0.07 0.35 -0.43 -0.55 8.50 7.81 3n26A1 CYS 211 HA 0.09 0.13 0.76 -0.75 4.58 4.82 3n26A1 CYS 211 HB2 0.07 0.08 -0.01 -0.04 2.97 3.06 3n26A1 CYS 211 HB3 0.14 -0.08 0.08 -0.04 2.97 3.07 3n26A1 TRP 212 H 0.20 0.27 -0.20 -0.55 7.97 7.69 3n26A1 TRP 212 HA -0.10 0.12 0.54 -0.75 4.62 4.44 3n26A1 TRP 212 HB2 -0.06 0.14 0.11 -0.04 3.23 3.39 3n26A1 TRP 212 HB3 -0.08 -0.05 -0.21 -0.04 3.23 2.85 3n26A1 TRP 212 HD1 -0.04 -0.04 -0.02 -0.04 7.22 7.07 3n26A1 TRP 212 HE1 -0.03 -0.04 -0.00 -0.04 10.20 10.09 3n26A1 TRP 212 HE3 -0.06 -0.05 -0.13 -0.04 7.59 7.31 3n26A1 TRP 212 HZ2 -0.02 -0.04 0.01 -0.04 7.44 7.35 3n26A1 TRP 212 HZ3 -0.05 0.30 -0.11 -0.04 7.13 7.23 3n26A1 TRP 212 HH2 -0.02 0.01 0.07 -0.04 7.19 7.21 3n26A1 VAL 213 H -0.13 0.34 0.42 -0.55 8.24 8.32 3n26A1 VAL 213 HA -0.12 0.16 0.91 -0.75 4.13 4.33 3n26A1 VAL 213 HB -0.38 0.06 0.09 -0.04 2.12 1.85 3n26A1 VAL 213 HG13 -0.65 0.02 -0.13 -0.04 0.97 0.17 3n26A1 VAL 213 HG23 -0.71 0.01 0.01 -0.04 0.95 0.23 3n26A1 LEU 214 H -0.12 0.63 0.29 -0.55 8.37 8.63 3n26A1 LEU 214 HA -0.11 0.05 0.75 -0.75 4.35 4.28 3n26A1 LEU 214 HB2 -0.06 0.07 0.12 -0.04 1.64 1.73 3n26A1 LEU 214 HB3 -0.06 -0.15 0.14 -0.04 1.64 1.53 3n26A1 LEU 214 HG -0.03 0.03 -0.07 -0.04 1.64 1.53 3n26A1 LEU 214 HD13 -0.01 0.00 -0.04 -0.04 0.93 0.84 3n26A1 LEU 214 HD23 -0.03 0.00 -0.03 -0.04 0.89 0.78 3n26A1 GLY 215 H -0.09 0.07 -0.06 -0.55 8.43 7.80 3n26A1 GLY 215 HA2 -0.12 0.06 0.32 -0.51 4.01 3.76 3n26A1 GLY 215 HA3 -0.13 0.20 0.17 -0.51 4.01 3.74 3n26A1 CYS 216 H -0.13 0.55 0.26 -0.55 8.50 8.62 3n26A1 CYS 216 HA -0.08 0.24 0.31 -0.75 4.58 4.30 3n26A1 CYS 216 HB2 -0.58 -0.07 0.03 -0.04 2.97 2.32 3n26A1 CYS 216 HB3 -0.24 -0.08 -0.15 -0.04 2.97 2.46 3n26A1 GLY 217 H 0.05 0.58 0.19 -0.55 8.43 8.70 3n26A1 GLY 217 HA2 0.18 0.26 0.45 -0.51 4.01 4.38 3n26A1 GLY 217 HA3 0.09 0.02 -0.04 -0.51 4.01 3.56 3n26A1 LEU 218 H 0.32 0.65 0.19 -0.55 8.37 8.98 3n26A1 LEU 218 HA 0.15 0.23 0.89 -0.75 4.35 4.86 3n26A1 LEU 218 HB2 0.01 -0.03 0.09 -0.04 1.64 1.67 3n26A1 LEU 218 HB3 0.13 -0.01 0.18 -0.04 1.64 1.91 3n26A1 LEU 218 HG 0.05 0.07 -0.01 -0.04 1.64 1.72 3n26A1 LEU 218 HD13 0.07 -0.01 -0.08 -0.04 0.93 0.87 3n26A1 LEU 218 HD23 0.17 0.02 -0.27 -0.04 0.89 0.78 3n26A1 GLY 219 H 0.06 0.33 0.27 -0.55 8.43 8.55 3n26A1 GLY 219 HA2 0.04 0.38 0.65 -0.51 4.01 4.57 3n26A1 GLY 219 HA3 0.01 -0.07 0.29 -0.51 4.01 3.73 3n26A1 VAL 220 H 0.03 0.71 0.33 -0.55 8.24 8.76 3n26A1 VAL 220 HA 0.06 0.19 0.75 -0.75 4.13 4.37 3n26A1 VAL 220 HB 0.06 -0.05 -0.03 -0.04 2.12 2.06 3n26A1 VAL 220 HG13 0.09 0.05 -0.04 -0.04 0.97 1.03 3n26A1 VAL 220 HG23 0.11 0.03 -0.25 -0.04 0.95 0.79 3n26A1 ALA 221 H 0.06 0.25 0.09 -0.55 8.40 8.26 3n26A1 ALA 221 HA 0.00 0.04 0.50 -0.75 4.34 4.13 3n26A1 ALA 221 HB3 0.10 0.06 0.10 -0.04 1.41 1.63 3n26A1 LYS 222 H 0.01 0.25 0.26 -0.55 8.42 8.38 3n26A1 LYS 222 HA 0.02 0.06 0.20 -0.75 4.32 3.85 3n26A1 LYS 222 HB2 -0.00 0.02 -0.01 -0.04 1.87 1.84 3n26A1 LYS 222 HB3 0.00 0.04 -0.03 -0.04 1.79 1.77 3n26A1 LYS 222 HG2 0.01 -0.05 -0.03 -0.04 1.46 1.35 3n26A1 LYS 222 HG3 0.01 -0.02 -0.11 -0.04 1.46 1.29 3n26A1 LYS 222 HD2 -0.00 0.08 -0.21 -0.04 1.69 1.52 3n26A1 LYS 222 HD3 0.00 -0.05 -0.09 -0.04 1.68 1.49 3n26A1 LYS 222 HE2 0.00 -0.11 -0.14 -0.04 2.99 2.71 3n26A1 LYS 222 HE3 -0.01 0.07 -0.36 -0.04 2.99 2.66 3n26A1 ASP 223 H 0.04 0.08 -0.37 -0.55 8.40 7.60 3n26A1 ASP 223 HA 0.02 0.20 0.63 -0.75 4.63 4.72 3n26A1 ASP 223 HB2 0.02 0.01 0.17 -0.04 2.71 2.88 3n26A1 ASP 223 HB3 0.02 0.02 0.01 -0.04 2.70 2.71 3n26A1 ARG 224 H 0.03 0.32 -0.65 -0.55 8.46 7.61 3n26A1 ARG 224 HA 0.02 0.22 0.92 -0.75 4.34 4.75 3n26A1 ARG 224 HB2 0.05 0.17 0.15 -0.04 1.90 2.23 3n26A1 ARG 224 HB3 0.03 -0.23 0.20 -0.04 1.80 1.76 3n26A1 ARG 224 HG2 0.02 0.07 -0.03 -0.04 1.67 1.69 3n26A1 ARG 224 HG3 0.07 -0.05 -0.22 -0.04 1.67 1.43 3n26A1 ARG 224 HD2 0.07 0.00 0.07 -0.04 3.22 3.32 3n26A1 ARG 224 HD3 0.03 -0.08 0.07 -0.04 3.22 3.20 3n26A1 PRO 225 HA 0.02 0.09 0.23 -0.51 4.44 4.26 3n26A1 PRO 225 HB2 0.01 0.03 0.00 -0.04 2.28 2.28 3n26A1 PRO 225 HB3 0.01 0.07 0.09 -0.04 2.02 2.15 3n26A1 PRO 225 HG2 0.01 0.00 0.05 -0.04 2.03 2.05 3n26A1 PRO 225 HG3 0.01 0.08 0.03 -0.04 2.03 2.11 3n26A1 PRO 225 HD2 0.01 0.23 -0.04 -0.04 3.68 3.85 3n26A1 PRO 225 HD3 0.02 0.15 -0.25 -0.04 3.65 3.53 3n26A1 GLU 226 H 0.01 0.09 -0.48 -0.55 8.60 7.67 3n26A1 GLU 226 HA 0.00 0.10 0.49 -0.75 4.29 4.13 3n26A1 GLU 226 HB2 0.00 0.04 0.06 -0.04 2.09 2.14 3n26A1 GLU 226 HB3 0.00 -0.05 0.08 -0.04 1.99 1.98 3n26A1 GLU 226 HG2 -0.01 -0.03 -0.09 -0.04 2.34 2.17 3n26A1 GLU 226 HG3 -0.01 0.03 -0.03 -0.04 2.34 2.30 3n26A1 GLU 227 H 0.01 0.14 0.04 -0.55 8.60 8.24 3n26A1 GLU 227 HA -0.00 0.06 0.47 -0.75 4.29 4.07 3n26A1 GLU 227 HB2 0.03 -0.01 0.15 -0.04 2.09 2.22 3n26A1 GLU 227 HB3 0.05 0.07 0.04 -0.04 1.99 2.11 3n26A1 GLU 227 HG2 0.06 -0.04 0.01 -0.04 2.34 2.33 3n26A1 GLU 227 HG3 0.02 0.01 0.07 -0.04 2.34 2.40 3n26A1 ILE 228 H 0.03 0.46 -0.35 -0.55 8.25 7.84 3n26A1 ILE 228 HA 0.04 0.01 0.36 -0.75 4.18 3.84 3n26A1 ILE 228 HB 0.02 0.16 0.01 -0.04 1.89 2.04 3n26A1 ILE 228 HG12 0.04 -0.06 -0.08 -0.04 1.49 1.35 3n26A1 ILE 228 HG13 0.04 0.06 -0.07 -0.04 1.21 1.20 3n26A1 ILE 228 HG23 0.03 -0.01 -0.13 -0.04 0.93 0.78 3n26A1 ILE 228 HD13 0.03 -0.00 -0.19 -0.04 0.88 0.67 3n26A1 GLN 229 H 0.01 0.39 -0.18 -0.55 8.47 8.14 3n26A1 GLN 229 HA 0.01 -0.00 0.35 -0.75 4.36 3.97 3n26A1 GLN 229 HB2 0.00 -0.06 0.10 -0.04 2.15 2.15 3n26A1 GLN 229 HB3 0.01 0.12 0.21 -0.04 2.02 2.31 3n26A1 GLN 229 HG2 -0.00 -0.05 0.14 -0.04 2.40 2.44 3n26A1 GLN 229 HG3 -0.00 0.31 0.26 -0.04 2.39 2.92 3n26A1 GLN 229 HE21 -0.01 -0.01 -0.03 -0.04 6.97 6.88 3n26A1 GLN 229 HE22 -0.01 -0.02 0.01 -0.04 7.69 7.63 3n26A1 THR 230 H -0.01 0.42 -0.11 -0.55 8.28 8.03 3n26A1 THR 230 HA -0.03 0.04 0.43 -0.75 4.39 4.07 3n26A1 THR 230 HB -0.05 0.09 0.13 -0.04 4.32 4.44 3n26A1 THR 230 HG23 -0.09 0.00 -0.05 -0.04 1.22 1.05 3n26A1 ILE 231 H -0.02 0.45 -0.17 -0.55 8.25 7.96 3n26A1 ILE 231 HA -0.08 0.06 0.51 -0.75 4.18 3.92 3n26A1 ILE 231 HB 0.03 0.09 0.08 -0.04 1.89 2.06 3n26A1 ILE 231 HG12 -0.18 -0.04 -0.05 -0.04 1.49 1.18 3n26A1 ILE 231 HG13 -0.12 -0.01 -0.04 -0.04 1.21 1.00 3n26A1 ILE 231 HG23 0.06 -0.02 -0.13 -0.04 0.93 0.81 3n26A1 ILE 231 HD13 0.15 0.02 -0.08 -0.04 0.88 0.93 3n26A1 GLN 232 H 0.01 0.62 -0.03 -0.55 8.47 8.54 3n26A1 GLN 232 HA 0.04 -0.01 0.50 -0.75 4.36 4.14 3n26A1 GLN 232 HB2 0.02 0.35 0.23 -0.04 2.15 2.71 3n26A1 GLN 232 HB3 0.02 0.05 0.07 -0.04 2.02 2.11 3n26A1 GLN 232 HG2 0.03 -0.04 -0.00 -0.04 2.40 2.35 3n26A1 GLN 232 HG3 0.04 -0.05 0.08 -0.04 2.39 2.42 3n26A1 GLN 232 HE21 0.02 -0.02 -0.06 -0.04 6.97 6.87 3n26A1 GLN 232 HE22 0.02 0.03 -0.01 -0.04 7.69 7.68 3n26A1 GLN 233 H -0.00 0.62 -0.16 -0.55 8.47 8.38 3n26A1 GLN 233 HA 0.00 -0.03 0.46 -0.75 4.36 4.04 3n26A1 GLN 233 HB2 -0.01 0.07 0.13 -0.04 2.15 2.31 3n26A1 GLN 233 HB3 -0.02 0.14 0.10 -0.04 2.02 2.19 3n26A1 GLN 233 HG2 -0.01 0.01 0.00 -0.04 2.40 2.36 3n26A1 GLN 233 HG3 -0.01 -0.02 -0.09 -0.04 2.39 2.24 3n26A1 GLN 233 HE21 0.01 -0.01 0.01 -0.04 6.97 6.94 3n26A1 GLN 233 HE22 0.00 -0.03 0.04 -0.04 7.69 7.66 3n26A1 ALA 234 H -0.03 0.50 -0.19 -0.55 8.40 8.13 3n26A1 ALA 234 HA -0.03 0.01 0.49 -0.75 4.34 4.06 3n26A1 ALA 234 HB3 -0.08 0.03 0.13 -0.04 1.41 1.46 3n26A1 ILE 235 H 0.01 0.69 -0.12 -0.55 8.25 8.28 3n26A1 ILE 235 HA 0.04 -0.05 0.41 -0.75 4.18 3.82 3n26A1 ILE 235 HB 0.06 0.16 0.20 -0.04 1.89 2.27 3n26A1 ILE 235 HG12 0.05 -0.10 0.00 -0.04 1.49 1.40 3n26A1 ILE 235 HG13 0.03 0.08 0.02 -0.04 1.21 1.30 3n26A1 ILE 235 HG23 0.13 0.01 -0.04 -0.04 0.93 0.99 3n26A1 ILE 235 HD13 0.11 0.00 -0.12 -0.04 0.88 0.83 3n26A1 THR 236 H 0.03 0.58 -0.04 -0.55 8.28 8.30 3n26A1 THR 236 HA 0.05 -0.02 0.42 -0.75 4.39 4.07 3n26A1 THR 236 HB 0.02 0.11 0.17 -0.04 4.32 4.57 3n26A1 THR 236 HG23 0.03 -0.02 -0.00 -0.04 1.22 1.18 3n26A1 ASP 237 H 0.01 0.67 -0.12 -0.55 8.40 8.42 3n26A1 ASP 237 HA 0.01 0.00 0.43 -0.75 4.63 4.32 3n26A1 ASP 237 HB2 -0.00 0.13 0.19 -0.04 2.71 2.98 3n26A1 ASP 237 HB3 0.00 -0.05 0.03 -0.04 2.70 2.63 3n26A1 LEU 238 H 0.02 0.62 -0.06 -0.55 8.37 8.40 3n26A1 LEU 238 HA 0.02 0.04 0.54 -0.75 4.35 4.20 3n26A1 LEU 238 HB2 0.04 0.14 0.13 -0.04 1.64 1.91 3n26A1 LEU 238 HB3 0.04 -0.21 0.05 -0.04 1.64 1.48 3n26A1 LEU 238 HG 0.00 0.23 0.09 -0.04 1.64 1.92 3n26A1 LEU 238 HD13 -0.01 -0.02 -0.17 -0.04 0.93 0.69 3n26A1 LEU 238 HD23 0.01 -0.00 -0.00 -0.04 0.89 0.85 3n26A1 LYS 239 H 0.05 0.60 -0.16 -0.55 8.42 8.37 3n26A1 LYS 239 HA 0.08 -0.17 0.71 -0.75 4.32 4.18 3n26A1 LYS 239 HB2 0.06 0.15 0.18 -0.04 1.87 2.21 3n26A1 LYS 239 HB3 0.07 -0.03 0.01 -0.04 1.79 1.80 3n26A1 LYS 239 HG2 0.12 -0.15 0.04 -0.04 1.46 1.43 3n26A1 LYS 239 HG3 0.11 0.12 0.05 -0.04 1.46 1.70 3n26A1 LYS 239 HD2 0.10 0.06 -0.06 -0.04 1.69 1.74 3n26A1 LYS 239 HD3 0.09 -0.02 -0.02 -0.04 1.68 1.69 3n26A1 LYS 239 HE2 0.16 -0.09 -0.03 -0.04 2.99 2.99 3n26A1 LYS 239 HE3 0.20 0.06 0.02 -0.04 2.99 3.24 3n26A1 SER 240 H 0.03 0.82 0.09 -0.55 8.46 8.86 3n26A1 SER 240 HA 0.03 -0.01 0.50 -0.75 4.49 4.25 3n26A1 SER 240 HB2 0.02 0.15 0.19 -0.04 3.95 4.27 3n26A1 SER 240 HB3 0.02 -0.06 0.09 -0.04 3.93 3.94 3n26A1 GLU 241 H 0.03 0.23 -0.57 -0.55 8.60 7.74 3n26A1 GLU 241 HA 0.02 0.11 0.40 -0.75 4.29 4.07 3n26A1 GLU 241 HB2 0.03 -0.03 0.17 -0.04 2.09 2.21 3n26A1 GLU 241 HB3 0.02 -0.05 0.15 -0.04 1.99 2.07 3n26A1 GLU 241 HG2 0.01 -0.04 0.01 -0.04 2.34 2.28 3n26A1 GLU 241 HG3 0.02 0.08 0.02 -0.04 2.34 2.42 3n26A1 GLY 242 H 0.04 0.51 -0.35 -0.55 8.43 8.08 3n26A1 GLY 242 HA2 0.05 -0.03 0.37 -0.51 4.01 3.90 3n26A1 GLY 242 HA3 0.04 0.13 0.65 -0.51 4.01 4.32 3n26A1 VAL 243 H 0.05 0.49 -0.09 -0.55 8.24 8.14 3n26A1 VAL 243 HA 0.06 0.11 0.40 -0.75 4.13 3.94 3n26A1 VAL 243 HB 0.05 0.04 0.16 -0.04 2.12 2.33 3n26A1 VAL 243 HG13 0.05 -0.01 -0.10 -0.04 0.97 0.86 3n26A1 VAL 243 HG23 0.03 0.03 -0.00 -0.04 0.95 0.97 3n26A1 ILE 244 H 0.10 0.28 -0.12 -0.55 8.25 7.96 3n26A1 ILE 244 HA 0.19 0.06 0.31 -0.75 4.18 3.99 3n26A1 ILE 244 HB 0.17 0.02 0.05 -0.04 1.89 2.10 3n26A1 ILE 244 HG12 0.11 -0.02 -0.04 -0.04 1.49 1.50 3n26A1 ILE 244 HG13 0.10 -0.03 -0.11 -0.04 1.21 1.13 3n26A1 ILE 244 HG23 0.40 0.03 -0.05 -0.04 0.93 1.27 3n26A1 ILE 244 HD13 0.17 0.03 0.03 -0.04 0.88 1.07 3n26A1 GLN 245 H 0.12 0.12 -0.33 -0.55 8.47 7.84 3n26A1 GLN 245 HA 0.13 -0.00 0.33 -0.75 4.36 4.06 3n26A1 GLN 245 HB2 0.07 0.16 0.09 -0.04 2.15 2.43 3n26A1 GLN 245 HB3 0.07 0.01 0.04 -0.04 2.02 2.10 3n26A1 GLN 245 HG2 0.06 0.08 0.04 -0.04 2.40 2.54 3n26A1 GLN 245 HG3 0.09 -0.03 0.01 -0.04 2.39 2.42 3n26A1 GLN 245 HE21 0.09 0.00 0.04 -0.04 6.97 7.06 3n26A1 GLN 245 HE22 0.08 0.01 -0.01 -0.04 7.69 7.73 3n26A1 SER 246 H 0.09 0.46 -0.24 -0.55 8.46 8.22 3n26A1 SER 246 HA 0.05 0.02 0.46 -0.75 4.49 4.27 3n26A1 SER 246 HB2 0.04 0.05 0.14 -0.04 3.95 4.14 3n26A1 SER 246 HB3 0.07 0.14 0.22 -0.04 3.93 4.32 3n26A1 LEU 247 H 0.17 0.55 -0.10 -0.55 8.37 8.45 3n26A1 LEU 247 HA 0.26 0.02 0.51 -0.75 4.35 4.38 3n26A1 LEU 247 HB2 0.38 0.11 0.16 -0.04 1.64 2.26 3n26A1 LEU 247 HB3 0.50 -0.09 0.04 -0.04 1.64 2.05 3n26A1 LEU 247 HG 0.14 0.23 0.05 -0.04 1.64 2.01 3n26A1 LEU 247 HD13 -0.02 -0.01 -0.15 -0.04 0.93 0.70 3n26A1 LEU 247 HD23 0.20 -0.02 -0.03 -0.04 0.89 1.01 3n26A1 THR 248 H 0.25 0.67 -0.09 -0.55 8.28 8.57 3n26A1 THR 248 HA -0.11 -0.01 0.35 -0.75 4.39 3.87 3n26A1 THR 248 HB -0.02 -0.13 -0.18 -0.04 4.32 3.95 3n26A1 THR 248 HG23 0.03 0.05 -0.04 -0.04 1.22 1.22 3n26A1 LYS 249 H 0.06 0.51 -0.19 -0.55 8.42 8.25 3n26A1 LYS 249 HA -0.01 -0.03 0.56 -0.75 4.32 4.09 3n26A1 LYS 249 HB2 0.01 0.16 0.20 -0.04 1.87 2.20 3n26A1 LYS 249 HB3 -0.02 -0.00 0.06 -0.04 1.79 1.78 3n26A1 LYS 249 HG2 0.01 -0.08 0.05 -0.04 1.46 1.40 3n26A1 LYS 249 HG3 0.03 0.25 0.11 -0.04 1.46 1.81 3n26A1 LYS 249 HD2 0.01 0.02 0.01 -0.04 1.69 1.68 3n26A1 LYS 249 HD3 -0.00 -0.01 0.01 -0.04 1.68 1.64 3n26A1 LYS 249 HE2 0.01 -0.04 -0.02 -0.04 2.99 2.91 3n26A1 LYS 249 HE3 0.03 0.00 -0.07 -0.04 2.99 2.91 3n26A1 LYS 250 H -0.01 0.62 0.02 -0.55 8.42 8.50 3n26A1 LYS 250 HA -0.23 0.02 0.44 -0.75 4.32 3.80 3n26A1 LYS 250 HB2 -0.13 0.06 0.15 -0.04 1.87 1.92 3n26A1 LYS 250 HB3 -0.17 0.06 0.18 -0.04 1.79 1.82 3n26A1 LYS 250 HG2 -1.27 -0.02 -0.19 -0.04 1.46 -0.06 3n26A1 LYS 250 HG3 -0.42 -0.01 0.06 -0.04 1.46 1.04 3n26A1 LYS 250 HD2 -0.10 0.02 -0.01 -0.04 1.69 1.56 3n26A1 LYS 250 HD3 -0.06 -0.04 -0.02 -0.04 1.68 1.52 3n26A1 LYS 250 HE2 -0.64 -0.04 -0.05 -0.04 2.99 2.22 3n26A1 LYS 250 HE3 -0.24 0.02 -0.01 -0.04 2.99 2.72 3n26A1 TRP 251 H 0.12 0.44 -0.30 -0.55 7.97 7.68 3n26A1 TRP 251 HA -0.02 0.17 0.78 -0.75 4.62 4.79 3n26A1 TRP 251 HB2 -0.10 0.03 0.09 -0.04 3.23 3.21 3n26A1 TRP 251 HB3 -0.11 -0.06 0.20 -0.04 3.23 3.22 3n26A1 TRP 251 HD1 0.24 0.21 0.06 -0.04 7.22 7.68 3n26A1 TRP 251 HE1 0.06 0.00 -0.10 -0.04 10.20 10.13 3n26A1 TRP 251 HE3 0.09 0.04 0.07 -0.04 7.59 7.74 3n26A1 TRP 251 HZ2 0.02 0.02 -0.05 -0.04 7.44 7.39 3n26A1 TRP 251 HZ3 0.25 -0.01 -0.07 -0.04 7.13 7.26 3n26A1 TRP 251 HH2 -0.01 -0.01 -0.06 -0.04 7.19 7.06 3n26A1 GLN 252 H -0.03 0.41 -0.38 -0.55 8.47 7.93 3n26A1 GLN 252 HA -0.04 0.05 0.35 -0.75 4.36 3.97 3n26A1 GLN 252 HB2 -0.02 0.08 0.08 -0.04 2.15 2.26 3n26A1 GLN 252 HB3 -0.03 -0.02 0.18 -0.04 2.02 2.11 3n26A1 GLN 252 HG2 -0.05 0.05 -0.01 -0.04 2.40 2.34 3n26A1 GLN 252 HG3 -0.04 -0.02 -0.35 -0.04 2.39 1.93 3n26A1 GLN 252 HE21 -0.02 -0.02 -0.03 -0.04 6.97 6.87 3n26A1 GLN 252 HE22 0.01 -0.02 -0.08 -0.04 7.69 7.56 3n26A1 LEU 253 H -0.07 0.57 -0.07 -0.55 8.37 8.26 3n26A1 LEU 253 HA -0.07 0.19 0.84 -0.75 4.35 4.56 3n26A1 LEU 253 HB2 -0.47 0.01 0.05 -0.04 1.64 1.19 3n26A1 LEU 253 HB3 -0.56 -0.11 0.04 -0.04 1.64 0.96 3n26A1 LEU 253 HG -0.39 0.22 -0.20 -0.04 1.64 1.22 3n26A1 LEU 253 HD13 -1.45 -0.04 -0.08 -0.04 0.93 -0.69 3n26A1 LEU 253 HD23 -0.42 -0.01 -0.04 -0.04 0.89 0.38 3n26A1 SER 254 H -0.01 0.21 -0.20 -0.55 8.46 7.91 3n26A1 SER 254 HA 0.09 -0.01 0.46 -0.75 4.49 4.28 3n26A1 SER 254 HB2 0.01 0.00 -0.07 -0.04 3.95 3.86 3n26A1 SER 254 HB3 0.04 0.00 0.01 -0.04 3.93 3.94 3n26A1 GLU 255 H 0.02 0.09 0.05 -0.55 8.60 8.21 3n26A1 GLU 255 HA -0.12 0.15 0.61 -0.75 4.29 4.17 3n26A1 GLU 255 HB2 0.05 0.40 -0.03 -0.04 2.09 2.46 3n26A1 GLU 255 HB3 -0.07 -0.09 0.20 -0.04 1.99 1.99 3n26A1 GLU 255 HG2 -0.58 -0.06 -0.03 -0.04 2.34 1.63 3n26A1 GLU 255 HG3 -0.57 -0.16 -0.06 -0.04 2.34 1.51 3n26A1 VAL 256 H -0.07 0.23 0.08 -0.55 8.24 7.94 3n26A1 VAL 256 HA -0.05 0.11 0.50 -0.75 4.13 3.94 3n26A1 VAL 256 HB -0.04 -0.02 0.11 -0.04 2.12 2.12 3n26A1 VAL 256 HG13 -0.05 0.02 -0.11 -0.04 0.97 0.79 3n26A1 VAL 256 HG23 -0.02 0.01 0.03 -0.04 0.95 0.93 3n26A1 ALA 257 H -0.22 0.00 -0.32 -0.55 8.40 7.32 3n26A1 ALA 257 HA -0.12 0.06 0.07 -0.75 4.34 3.59 3n26A1 ALA 257 HB3 -0.28 0.01 0.01 -0.04 1.41 1.11 3n26A1 TYR 258 H -0.84 0.05 -0.35 -0.55 8.29 6.60 3n26A1 TYR 258 HA -0.04 0.22 0.22 -0.75 4.56 4.21 3n26A1 TYR 258 HB2 -0.08 0.01 0.07 -0.04 3.06 3.02 3n26A1 TYR 258 HB3 -0.05 0.05 0.08 -0.04 2.98 3.02 3n26A1 TYR 258 HD2 -0.05 0.05 -0.08 -0.04 7.15 7.03 3n26A1 TYR 258 HE2 -0.01 -0.00 -0.07 -0.04 6.85 6.72