============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 7 1.000 54.071 -33.270 18.119 -99.200 -91.000 PHE 9 1.000 52.769 -34.217 10.279 -99.200 -91.000 PHE 20 1.000 48.505 -31.953 6.610 -99.200 -91.000 PHE 26 1.000 47.547 -32.001 19.331 -99.200 -91.000 TYR 39 0.840 57.207 -33.038 27.451 -99.200 -91.000 PHE 41 1.000 57.818 -31.414 22.055 -99.200 -91.000 PHE 46 1.000 50.366 -41.757 9.190 -99.200 -91.000 TYR 50 0.840 56.082 -44.950 6.056 -99.200 -91.000 PHE 54 1.000 59.904 -31.053 14.343 -99.200 -91.000 PHE 56 1.000 63.414 -37.049 19.226 -99.200 -91.000 TYR 59 0.840 62.000 -28.843 20.581 -99.200 -91.000 TRP 62 1.040 66.327 -24.639 13.171 -99.200 -91.000 TRP6 62 1.020 66.133 -22.725 11.800 -99.200 -91.000 HIS 71 0.900 60.662 -24.392 3.960 -99.200 -91.000 HIS 74 0.900 47.530 -32.474 3.284 -99.200 -91.000 PHE 82 1.000 48.954 -51.997 11.228 -99.200 -91.000 TYR 87 0.840 60.723 -43.003 8.677 -99.200 -91.000 PHE 93 1.000 61.063 -42.339 19.671 -99.200 -91.000 TYR 130 0.840 49.614 -40.749 25.552 -99.200 -91.000 HIS 137 0.900 34.518 -41.219 7.479 -99.200 -91.000 PHE 138 1.000 40.384 -41.718 16.391 -99.200 -91.000 HIS 148 0.900 42.562 -53.322 22.035 -99.200 -91.000 PHE 150 1.000 47.821 -48.513 13.996 -99.200 -91.000 PHE 158 1.000 48.512 -45.258 27.211 -99.200 -91.000 PHE 165 1.000 45.792 -35.288 24.682 -99.200 -91.000 TYR 180 0.840 52.029 -47.343 30.290 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3hi6A1 GLY 128 HA2 -0.04 -0.13 0.22 -0.51 4.01 3.55 3hi6A1 GLY 128 HA3 -0.05 0.01 0.12 -0.51 4.01 3.59 3hi6A1 ASN 129 H -0.07 0.04 0.14 -0.55 8.53 8.09 3hi6A1 ASN 129 HA -0.16 0.15 0.71 -0.75 4.76 4.70 3hi6A1 ASN 129 HB2 -0.09 0.11 0.33 -0.04 2.88 3.18 3hi6A1 ASN 129 HB3 -0.12 0.03 0.10 -0.04 2.79 2.75 3hi6A1 ASN 129 HD21 -0.04 -0.11 0.05 -0.04 7.03 6.89 3hi6A1 ASN 129 HD22 -0.05 0.30 0.15 -0.04 7.74 8.09 3hi6A1 VAL 130 H -0.34 0.72 0.34 -0.55 8.24 8.41 3hi6A1 VAL 130 HA -0.19 0.20 0.97 -0.75 4.13 4.36 3hi6A1 VAL 130 HB -0.96 -0.10 0.06 -0.04 2.12 1.08 3hi6A1 VAL 130 HG13 -0.10 -0.00 -0.21 -0.04 0.97 0.63 3hi6A1 VAL 130 HG23 -0.36 0.05 -0.20 -0.04 0.95 0.40 3hi6A1 ASP 131 H -0.11 0.56 0.12 -0.55 8.40 8.42 3hi6A1 ASP 131 HA -0.24 0.15 0.92 -0.75 4.63 4.71 3hi6A1 ASP 131 HB2 -0.00 0.04 0.06 -0.04 2.71 2.77 3hi6A1 ASP 131 HB3 -0.24 -0.06 -0.07 -0.04 2.70 2.30 3hi6A1 LEU 132 H -0.00 0.79 0.31 -0.55 8.37 8.93 3hi6A1 LEU 132 HA 0.12 0.33 1.00 -0.75 4.35 5.04 3hi6A1 LEU 132 HB2 -0.03 0.03 -0.13 -0.04 1.64 1.47 3hi6A1 LEU 132 HB3 -0.24 -0.01 0.06 -0.04 1.64 1.41 3hi6A1 LEU 132 HG -0.00 0.05 -0.14 -0.04 1.64 1.50 3hi6A1 LEU 132 HD13 0.14 0.00 -0.15 -0.04 0.93 0.88 3hi6A1 LEU 132 HD23 -0.47 -0.04 -0.40 -0.04 0.89 -0.07 3hi6A1 VAL 133 H 0.07 0.72 0.42 -0.55 8.24 8.89 3hi6A1 VAL 133 HA -0.23 0.22 1.08 -0.75 4.13 4.45 3hi6A1 VAL 133 HB -0.05 -0.03 0.08 -0.04 2.12 2.08 3hi6A1 VAL 133 HG13 -0.18 -0.03 -0.30 -0.04 0.97 0.42 3hi6A1 VAL 133 HG23 -0.66 0.02 -0.21 -0.04 0.95 0.06 3hi6A1 PHE 134 H -0.03 0.69 0.39 -0.55 8.34 8.83 3hi6A1 PHE 134 HA 0.15 0.22 0.98 -0.75 4.62 5.22 3hi6A1 PHE 134 HB2 0.10 -0.10 0.28 -0.04 3.15 3.39 3hi6A1 PHE 134 HB3 0.16 -0.02 0.04 -0.04 3.06 3.20 3hi6A1 PHE 134 HD2 0.12 0.02 -0.01 -0.04 7.28 7.37 3hi6A1 PHE 134 HE2 -0.08 0.00 -0.08 -0.04 7.38 7.18 3hi6A1 PHE 134 HZ -0.30 0.02 -0.06 -0.04 7.32 6.94 3hi6A1 LEU 135 H 0.25 0.78 0.26 -0.55 8.37 9.11 3hi6A1 LEU 135 HA 0.20 0.24 0.99 -0.75 4.35 5.02 3hi6A1 LEU 135 HB2 0.03 0.02 -0.07 -0.04 1.64 1.58 3hi6A1 LEU 135 HB3 0.06 -0.01 0.13 -0.04 1.64 1.79 3hi6A1 LEU 135 HG -0.04 -0.06 -0.23 -0.04 1.64 1.26 3hi6A1 LEU 135 HD13 0.01 0.03 -0.14 -0.04 0.93 0.80 3hi6A1 LEU 135 HD23 -0.37 -0.01 -0.22 -0.04 0.89 0.25 3hi6A1 PHE 136 H 0.11 0.68 0.31 -0.55 8.34 8.88 3hi6A1 PHE 136 HA 0.20 0.25 1.12 -0.75 4.62 5.43 3hi6A1 PHE 136 HB2 0.01 0.00 -0.02 -0.04 3.15 3.11 3hi6A1 PHE 136 HB3 0.09 0.01 -0.14 -0.04 3.06 2.98 3hi6A1 PHE 136 HD2 0.07 0.04 -0.21 -0.04 7.28 7.13 3hi6A1 PHE 136 HE2 0.09 -0.03 -0.21 -0.04 7.38 7.19 3hi6A1 PHE 136 HZ 0.05 0.02 -0.10 -0.04 7.32 7.26 3hi6A1 ASP 137 H 0.12 0.43 0.32 -0.55 8.40 8.72 3hi6A1 ASP 137 HA -1.34 0.08 0.49 -0.75 4.63 3.10 3hi6A1 ASP 137 HB2 0.00 0.23 0.40 -0.04 2.71 3.31 3hi6A1 ASP 137 HB3 0.02 -0.03 0.26 -0.04 2.70 2.91 3hi6A1 GLY 138 H -0.47 0.83 0.49 -0.55 8.43 8.73 3hi6A1 GLY 138 HA2 -0.02 0.21 0.82 -0.51 4.01 4.50 3hi6A1 GLY 138 HA3 -0.08 -0.08 0.41 -0.51 4.01 3.75 3hi6A1 SER 139 H -0.16 0.05 -0.16 -0.55 8.46 7.64 3hi6A1 SER 139 HA -0.12 -0.05 0.33 -0.75 4.49 3.90 3hi6A1 SER 139 HB2 -0.04 0.12 -0.03 -0.04 3.95 3.96 3hi6A1 SER 139 HB3 -0.07 0.09 -0.01 -0.04 3.93 3.90 3hi6A1 MET 140 H -0.09 0.57 0.05 -0.55 8.47 8.45 3hi6A1 MET 140 HA -0.19 0.14 0.30 -0.75 4.52 4.02 3hi6A1 MET 140 HB2 -0.11 0.30 0.03 -0.04 2.15 2.32 3hi6A1 MET 140 HB3 -0.07 -0.06 -0.02 -0.04 2.03 1.84 3hi6A1 MET 140 HG2 -0.09 -0.00 0.10 -0.04 2.63 2.60 3hi6A1 MET 140 HG3 -0.15 0.02 0.09 -0.04 2.56 2.48 3hi6A1 MET 140 HE3 -0.08 0.03 0.10 -0.04 2.10 2.10 3hi6A1 SER 141 H -0.04 -0.01 -0.31 -0.55 8.46 7.56 3hi6A1 SER 141 HA -0.03 0.08 0.27 -0.75 4.49 4.05 3hi6A1 SER 141 HB2 -0.05 0.00 -0.04 -0.04 3.95 3.83 3hi6A1 SER 141 HB3 -0.02 -0.01 0.01 -0.04 3.93 3.86 3hi6A1 LEU 142 H 0.02 0.17 -0.42 -0.55 8.37 7.59 3hi6A1 LEU 142 HA 0.07 -0.06 0.50 -0.75 4.35 4.10 3hi6A1 LEU 142 HB2 0.12 0.18 -0.02 -0.04 1.64 1.88 3hi6A1 LEU 142 HB3 0.15 -0.00 -0.07 -0.04 1.64 1.68 3hi6A1 LEU 142 HG 0.09 -0.06 -0.07 -0.04 1.64 1.56 3hi6A1 LEU 142 HD13 0.06 -0.03 -0.09 -0.04 0.93 0.84 3hi6A1 LEU 142 HD23 0.16 0.01 -0.10 -0.04 0.89 0.92 3hi6A1 GLN 143 H 0.07 -0.00 0.17 -0.55 8.47 8.17 3hi6A1 GLN 143 HA 0.05 0.26 0.66 -0.75 4.36 4.57 3hi6A1 GLN 143 HB2 0.06 -0.11 0.16 -0.04 2.15 2.22 3hi6A1 GLN 143 HB3 0.05 -0.05 0.11 -0.04 2.02 2.09 3hi6A1 GLN 143 HG2 0.04 0.07 0.10 -0.04 2.40 2.57 3hi6A1 GLN 143 HG3 0.06 0.09 0.07 -0.04 2.39 2.57 3hi6A1 GLN 143 HE21 0.06 -0.01 0.04 -0.04 6.97 7.02 3hi6A1 GLN 143 HE22 0.06 0.07 0.04 -0.04 7.69 7.82 3hi6A1 PRO 144 HA 0.17 0.14 0.41 -0.51 4.44 4.64 3hi6A1 PRO 144 HB2 0.06 -0.02 0.10 -0.04 2.28 2.37 3hi6A1 PRO 144 HB3 0.08 0.08 0.09 -0.04 2.02 2.23 3hi6A1 PRO 144 HG2 0.03 0.05 0.11 -0.04 2.03 2.18 3hi6A1 PRO 144 HG3 0.03 0.12 0.11 -0.04 2.03 2.24 3hi6A1 PRO 144 HD2 0.04 0.05 0.24 -0.04 3.68 3.97 3hi6A1 PRO 144 HD3 0.03 0.28 0.23 -0.04 3.65 4.15 3hi6A1 ASP 145 H 0.06 0.14 -0.15 -0.55 8.40 7.90 3hi6A1 ASP 145 HA 0.05 0.12 0.32 -0.75 4.63 4.36 3hi6A1 ASP 145 HB2 0.02 0.05 0.06 -0.04 2.71 2.80 3hi6A1 ASP 145 HB3 0.03 0.06 0.05 -0.04 2.70 2.79 3hi6A1 GLU 146 H 0.07 0.14 -0.43 -0.55 8.60 7.84 3hi6A1 GLU 146 HA 0.02 0.05 0.51 -0.75 4.29 4.12 3hi6A1 GLU 146 HB2 0.09 0.19 0.11 -0.04 2.09 2.44 3hi6A1 GLU 146 HB3 0.06 0.00 -0.03 -0.04 1.99 1.98 3hi6A1 GLU 146 HG2 0.03 -0.00 0.04 -0.04 2.34 2.36 3hi6A1 GLU 146 HG3 0.04 -0.03 0.02 -0.04 2.34 2.33 3hi6A1 PHE 147 H 0.22 0.47 -0.12 -0.55 8.34 8.36 3hi6A1 PHE 147 HA -0.04 0.03 0.41 -0.75 4.62 4.26 3hi6A1 PHE 147 HB2 0.03 0.04 0.06 -0.04 3.15 3.23 3hi6A1 PHE 147 HB3 -0.08 0.15 0.11 -0.04 3.06 3.20 3hi6A1 PHE 147 HD2 -0.21 0.09 -0.04 -0.04 7.28 7.09 3hi6A1 PHE 147 HE2 -0.05 0.02 -0.16 -0.04 7.38 7.16 3hi6A1 PHE 147 HZ 0.09 0.00 -0.13 -0.04 7.32 7.24 3hi6A1 GLN 148 H 0.07 0.36 -0.19 -0.55 8.47 8.16 3hi6A1 GLN 148 HA -0.19 0.06 0.50 -0.75 4.36 3.98 3hi6A1 GLN 148 HB2 0.02 0.03 0.07 -0.04 2.15 2.23 3hi6A1 GLN 148 HB3 -0.01 0.06 0.06 -0.04 2.02 2.09 3hi6A1 GLN 148 HG2 -0.02 0.01 -0.03 -0.04 2.40 2.31 3hi6A1 GLN 148 HG3 -0.06 -0.01 -0.14 -0.04 2.39 2.13 3hi6A1 GLN 148 HE21 -0.11 0.06 -0.01 -0.04 6.97 6.86 3hi6A1 GLN 148 HE22 -0.10 -0.05 0.02 -0.04 7.69 7.51 3hi6A1 LYS 149 H -0.05 0.46 -0.23 -0.55 8.42 8.04 3hi6A1 LYS 149 HA -0.06 0.02 0.47 -0.75 4.32 4.00 3hi6A1 LYS 149 HB2 -0.03 0.15 0.26 -0.04 1.87 2.21 3hi6A1 LYS 149 HB3 -0.06 0.06 0.07 -0.04 1.79 1.82 3hi6A1 LYS 149 HG2 -0.04 -0.09 -0.01 -0.04 1.46 1.28 3hi6A1 LYS 149 HG3 -0.03 -0.00 0.03 -0.04 1.46 1.40 3hi6A1 LYS 149 HD2 -0.02 0.02 0.02 -0.04 1.69 1.66 3hi6A1 LYS 149 HD3 -0.02 -0.05 -0.01 -0.04 1.68 1.56 3hi6A1 LYS 149 HE2 -0.02 -0.05 -0.02 -0.04 2.99 2.87 3hi6A1 LYS 149 HE3 -0.02 0.03 -0.02 -0.04 2.99 2.94 3hi6A1 ILE 150 H -0.17 0.43 -0.25 -0.55 8.25 7.71 3hi6A1 ILE 150 HA -0.09 0.01 0.38 -0.75 4.18 3.72 3hi6A1 ILE 150 HB -0.36 0.20 0.15 -0.04 1.89 1.83 3hi6A1 ILE 150 HG12 -0.07 -0.05 -0.05 -0.04 1.49 1.28 3hi6A1 ILE 150 HG13 -0.07 0.17 -0.02 -0.04 1.21 1.25 3hi6A1 ILE 150 HG23 -0.15 -0.02 -0.14 -0.04 0.93 0.58 3hi6A1 ILE 150 HD13 0.09 -0.03 -0.08 -0.04 0.88 0.82 3hi6A1 LEU 151 H -0.45 0.47 -0.09 -0.55 8.37 7.75 3hi6A1 LEU 151 HA -0.51 0.01 0.43 -0.75 4.35 3.53 3hi6A1 LEU 151 HB2 -0.29 0.11 0.17 -0.04 1.64 1.59 3hi6A1 LEU 151 HB3 -0.29 0.00 -0.00 -0.04 1.64 1.30 3hi6A1 LEU 151 HG -0.88 0.15 0.06 -0.04 1.64 0.93 3hi6A1 LEU 151 HD13 -0.18 -0.01 -0.03 -0.04 0.93 0.67 3hi6A1 LEU 151 HD23 -0.51 -0.01 -0.03 -0.04 0.89 0.29 3hi6A1 ASP 152 H -0.18 0.59 -0.15 -0.55 8.40 8.12 3hi6A1 ASP 152 HA -0.15 -0.00 0.33 -0.75 4.63 4.05 3hi6A1 ASP 152 HB2 -0.07 0.08 0.12 -0.04 2.71 2.80 3hi6A1 ASP 152 HB3 -0.07 -0.03 0.01 -0.04 2.70 2.57 3hi6A1 PHE 153 H -0.01 0.45 -0.34 -0.55 8.34 7.89 3hi6A1 PHE 153 HA -0.13 0.03 0.43 -0.75 4.62 4.19 3hi6A1 PHE 153 HB2 -0.10 0.00 0.07 -0.04 3.15 3.08 3hi6A1 PHE 153 HB3 -0.17 0.12 0.17 -0.04 3.06 3.13 3hi6A1 PHE 153 HD2 -0.08 0.03 -0.06 -0.04 7.28 7.13 3hi6A1 PHE 153 HE2 0.14 0.02 -0.15 -0.04 7.38 7.34 3hi6A1 PHE 153 HZ 0.36 0.03 -0.14 -0.04 7.32 7.53 3hi6A1 MET 154 H -0.30 0.54 -0.09 -0.55 8.47 8.07 3hi6A1 MET 154 HA -1.07 0.01 0.38 -0.75 4.52 3.09 3hi6A1 MET 154 HB2 -0.60 0.12 0.11 -0.04 2.15 1.74 3hi6A1 MET 154 HB3 -1.16 -0.03 -0.03 -0.04 2.03 0.77 3hi6A1 MET 154 HG2 -1.14 -0.04 0.00 -0.04 2.63 1.41 3hi6A1 MET 154 HG3 -0.44 0.21 0.06 -0.04 2.56 2.35 3hi6A1 MET 154 HE3 -1.44 0.01 -0.16 -0.04 2.10 0.48 3hi6A1 LYS 155 H -0.34 0.51 -0.17 -0.55 8.42 7.86 3hi6A1 LYS 155 HA -0.26 -0.00 0.45 -0.75 4.32 3.75 3hi6A1 LYS 155 HB2 -0.19 0.13 0.06 -0.04 1.87 1.83 3hi6A1 LYS 155 HB3 -0.17 -0.06 -0.08 -0.04 1.79 1.44 3hi6A1 LYS 155 HG2 -0.20 -0.06 -0.15 -0.04 1.46 1.01 3hi6A1 LYS 155 HG3 -0.24 0.21 -0.03 -0.04 1.46 1.35 3hi6A1 LYS 155 HD2 -0.15 -0.00 -0.12 -0.04 1.69 1.38 3hi6A1 LYS 155 HD3 -0.14 -0.09 -0.17 -0.04 1.68 1.25 3hi6A1 LYS 155 HE2 -0.16 0.08 -0.16 -0.04 2.99 2.70 3hi6A1 LYS 155 HE3 -0.17 -0.01 -0.16 -0.04 2.99 2.61 3hi6A1 ASP 156 H -0.25 0.55 -0.16 -0.55 8.40 7.99 3hi6A1 ASP 156 HA -0.16 0.00 0.42 -0.75 4.63 4.14 3hi6A1 ASP 156 HB2 -0.12 -0.01 0.11 -0.04 2.71 2.64 3hi6A1 ASP 156 HB3 -0.22 0.09 0.17 -0.04 2.70 2.70 3hi6A1 VAL 157 H -0.48 0.61 -0.09 -0.55 8.24 7.73 3hi6A1 VAL 157 HA -0.25 0.01 0.37 -0.75 4.13 3.51 3hi6A1 VAL 157 HB -0.31 0.08 0.11 -0.04 2.12 1.95 3hi6A1 VAL 157 HG13 -0.01 -0.01 -0.19 -0.04 0.97 0.73 3hi6A1 VAL 157 HG23 -0.81 0.06 -0.01 -0.04 0.95 0.15 3hi6A1 MET 158 H -0.36 0.51 -0.20 -0.55 8.47 7.88 3hi6A1 MET 158 HA -0.69 0.08 0.26 -0.75 4.52 3.40 3hi6A1 MET 158 HB2 -0.30 0.08 0.12 -0.04 2.15 2.00 3hi6A1 MET 158 HB3 -0.21 -0.04 -0.12 -0.04 2.03 1.62 3hi6A1 MET 158 HG2 -1.74 0.02 -0.08 -0.04 2.63 0.79 3hi6A1 MET 158 HG3 -0.56 0.03 -0.02 -0.04 2.56 1.96 3hi6A1 MET 158 HE3 0.15 -0.02 -0.16 -0.04 2.10 2.04 3hi6A1 LYS 159 H -0.18 0.54 -0.22 -0.55 8.42 8.01 3hi6A1 LYS 159 HA -0.05 0.01 0.38 -0.75 4.32 3.90 3hi6A1 LYS 159 HB2 -0.11 0.12 0.13 -0.04 1.87 1.97 3hi6A1 LYS 159 HB3 -0.10 0.06 0.06 -0.04 1.79 1.77 3hi6A1 LYS 159 HG2 -0.05 0.01 0.07 -0.04 1.46 1.45 3hi6A1 LYS 159 HG3 -0.06 -0.06 0.04 -0.04 1.46 1.34 3hi6A1 LYS 159 HD2 -0.06 -0.06 -0.01 -0.04 1.69 1.52 3hi6A1 LYS 159 HD3 -0.07 0.00 -0.03 -0.04 1.68 1.54 3hi6A1 LYS 159 HE2 -0.05 0.05 -0.08 -0.04 2.99 2.87 3hi6A1 LYS 159 HE3 -0.04 -0.01 -0.01 -0.04 2.99 2.89 3hi6A1 LYS 160 H -0.13 0.42 -0.36 -0.55 8.42 7.79 3hi6A1 LYS 160 HA -0.06 0.01 0.54 -0.75 4.32 4.06 3hi6A1 LYS 160 HB2 -0.11 0.07 0.11 -0.04 1.87 1.89 3hi6A1 LYS 160 HB3 -0.13 0.07 0.17 -0.04 1.79 1.86 3hi6A1 LYS 160 HG2 -0.09 -0.08 -0.06 -0.04 1.46 1.19 3hi6A1 LYS 160 HG3 -0.06 -0.05 0.10 -0.04 1.46 1.41 3hi6A1 LYS 160 HD2 -0.09 0.00 -0.01 -0.04 1.69 1.56 3hi6A1 LYS 160 HD3 -0.11 0.00 0.00 -0.04 1.68 1.53 3hi6A1 LYS 160 HE2 -0.07 -0.01 0.02 -0.04 2.99 2.89 3hi6A1 LYS 160 HE3 -0.07 0.11 0.20 -0.04 2.99 3.18 3hi6A1 CYS 161 H -0.12 0.79 0.02 -0.55 8.50 8.65 3hi6A1 CYS 161 HA -0.07 0.05 0.82 -0.75 4.58 4.62 3hi6A1 CYS 161 HB2 -0.06 0.05 0.12 -0.04 2.97 3.05 3hi6A1 CYS 161 HB3 -0.72 -0.02 0.16 -0.04 2.97 2.34 3hi6A1 SER 162 H 0.03 0.28 -0.54 -0.55 8.46 7.69 3hi6A1 SER 162 HA 0.24 0.17 0.44 -0.75 4.49 4.58 3hi6A1 SER 162 HB2 0.09 -0.05 0.14 -0.04 3.95 4.08 3hi6A1 SER 162 HB3 0.05 0.16 0.04 -0.04 3.93 4.14 3hi6A1 ASN 163 H 0.13 0.01 -0.60 -0.55 8.53 7.53 3hi6A1 ASN 163 HA 0.11 0.02 0.52 -0.75 4.76 4.65 3hi6A1 ASN 163 HB2 0.10 0.02 0.06 -0.04 2.88 3.01 3hi6A1 ASN 163 HB3 0.18 0.04 0.06 -0.04 2.79 3.03 3hi6A1 ASN 163 HD21 0.06 0.02 0.00 -0.04 7.03 7.07 3hi6A1 ASN 163 HD22 0.07 0.01 0.10 -0.04 7.74 7.88 3hi6A1 THR 164 H 0.09 0.09 0.18 -0.55 8.28 8.09 3hi6A1 THR 164 HA 0.13 0.17 0.28 -0.75 4.39 4.21 3hi6A1 THR 164 HB 0.05 -0.07 0.10 -0.04 4.32 4.36 3hi6A1 THR 164 HG23 0.04 0.01 -0.10 -0.04 1.22 1.13 3hi6A1 SER 165 H 0.08 -0.02 -0.38 -0.55 8.46 7.60 3hi6A1 SER 165 HA -0.03 0.01 0.49 -0.75 4.49 4.21 3hi6A1 SER 165 HB2 0.02 -0.02 -0.02 -0.04 3.95 3.88 3hi6A1 SER 165 HB3 -0.14 0.19 -0.03 -0.04 3.93 3.91 3hi6A1 TYR 166 H 0.19 0.67 -0.12 -0.55 8.29 8.48 3hi6A1 TYR 166 HA -0.21 0.19 0.83 -0.75 4.56 4.62 3hi6A1 TYR 166 HB2 0.04 0.19 0.16 -0.04 3.06 3.41 3hi6A1 TYR 166 HB3 -0.42 -0.04 -0.05 -0.04 2.98 2.43 3hi6A1 TYR 166 HD2 -0.27 -0.03 -0.04 -0.04 7.15 6.77 3hi6A1 TYR 166 HE2 -0.01 -0.02 -0.08 -0.04 6.85 6.70 3hi6A1 GLN 167 H -0.28 0.66 0.46 -0.55 8.47 8.77 3hi6A1 GLN 167 HA -0.08 0.15 0.72 -0.75 4.36 4.40 3hi6A1 GLN 167 HB2 -0.20 0.01 0.15 -0.04 2.15 2.07 3hi6A1 GLN 167 HB3 0.14 -0.07 -0.03 -0.04 2.02 2.01 3hi6A1 GLN 167 HG2 0.28 -0.01 0.07 -0.04 2.40 2.70 3hi6A1 GLN 167 HG3 0.06 0.12 -0.16 -0.04 2.39 2.36 3hi6A1 GLN 167 HE21 0.02 0.01 -0.03 -0.04 6.97 6.93 3hi6A1 GLN 167 HE22 0.08 0.02 -0.03 -0.04 7.69 7.72 3hi6A1 PHE 168 H -0.25 0.17 0.16 -0.55 8.34 7.87 3hi6A1 PHE 168 HA 0.05 0.42 1.13 -0.75 4.62 5.47 3hi6A1 PHE 168 HB2 -0.22 -0.06 -0.02 -0.04 3.15 2.80 3hi6A1 PHE 168 HB3 0.17 -0.00 -0.03 -0.04 3.06 3.16 3hi6A1 PHE 168 HD2 -0.84 -0.01 -0.13 -0.04 7.28 6.25 3hi6A1 PHE 168 HE2 -0.06 0.11 -0.14 -0.04 7.38 7.25 3hi6A1 PHE 168 HZ -0.32 0.04 -0.08 -0.04 7.32 6.92 3hi6A1 ALA 169 H -0.15 0.65 0.46 -0.55 8.40 8.81 3hi6A1 ALA 169 HA -0.64 0.19 0.38 -0.75 4.34 3.51 3hi6A1 ALA 169 HB3 -1.02 -0.02 0.07 -0.04 1.41 0.41 3hi6A1 ALA 170 H -0.94 0.56 0.34 -0.55 8.40 7.81 3hi6A1 ALA 170 HA 0.05 0.25 1.04 -0.75 4.34 4.92 3hi6A1 ALA 170 HB3 -0.06 0.00 -0.00 -0.04 1.41 1.30 3hi6A1 VAL 171 H 0.16 0.90 0.41 -0.55 8.24 9.16 3hi6A1 VAL 171 HA 0.01 0.19 1.13 -0.75 4.13 4.70 3hi6A1 VAL 171 HB 0.05 -0.03 0.12 -0.04 2.12 2.22 3hi6A1 VAL 171 HG13 0.07 -0.01 -0.32 -0.04 0.97 0.67 3hi6A1 VAL 171 HG23 0.01 -0.01 -0.21 -0.04 0.95 0.71 3hi6A1 GLN 172 H -0.16 0.50 0.32 -0.55 8.47 8.58 3hi6A1 GLN 172 HA -1.18 0.26 0.98 -0.75 4.36 3.66 3hi6A1 GLN 172 HB2 -0.41 0.02 0.10 -0.04 2.15 1.81 3hi6A1 GLN 172 HB3 -0.17 -0.03 0.12 -0.04 2.02 1.90 3hi6A1 GLN 172 HG2 -0.28 -0.04 -0.02 -0.04 2.40 2.02 3hi6A1 GLN 172 HG3 -0.44 0.06 0.01 -0.04 2.39 1.98 3hi6A1 GLN 172 HE21 0.09 0.61 0.04 -0.04 6.97 7.67 3hi6A1 GLN 172 HE22 0.05 -0.03 -0.00 -0.04 7.69 7.67 3hi6A1 PHE 173 H -0.32 0.59 0.30 -0.55 8.34 8.36 3hi6A1 PHE 173 HA 0.03 0.31 0.97 -0.75 4.62 5.17 3hi6A1 PHE 173 HB2 0.24 0.03 -0.11 -0.04 3.15 3.27 3hi6A1 PHE 173 HB3 -0.02 0.02 -0.21 -0.04 3.06 2.81 3hi6A1 PHE 173 HD2 0.01 0.05 -0.37 -0.04 7.28 6.93 3hi6A1 PHE 173 HE2 0.05 0.06 -0.26 -0.04 7.38 7.19 3hi6A1 PHE 173 HZ 0.05 0.01 -0.10 -0.04 7.32 7.24 3hi6A1 SER 174 H 0.07 0.72 0.05 -0.55 8.46 8.75 3hi6A1 SER 174 HA -0.05 0.16 0.40 -0.75 4.49 4.24 3hi6A1 SER 174 HB2 -0.12 0.04 -0.17 -0.04 3.95 3.66 3hi6A1 SER 174 HB3 -0.08 -0.05 0.11 -0.04 3.93 3.87 3hi6A1 THR 175 H -0.05 0.11 0.11 -0.55 8.28 7.90 3hi6A1 THR 175 HA -0.00 0.00 0.62 -0.75 4.39 4.26 3hi6A1 THR 175 HB -0.08 0.04 0.15 -0.04 4.32 4.39 3hi6A1 THR 175 HG23 -0.07 0.04 -0.07 -0.04 1.22 1.08 3hi6A1 SER 176 H -0.17 0.01 -0.02 -0.55 8.46 7.73 3hi6A1 SER 176 HA -0.93 0.24 0.74 -0.75 4.49 3.79 3hi6A1 SER 176 HB2 -0.22 -0.02 -0.08 -0.04 3.95 3.59 3hi6A1 SER 176 HB3 -0.21 0.04 -0.06 -0.04 3.93 3.66 3hi6A1 TYR 177 H -0.50 0.28 0.15 -0.55 8.29 7.66 3hi6A1 TYR 177 HA -0.17 0.29 1.01 -0.75 4.56 4.94 3hi6A1 TYR 177 HB2 -1.16 0.02 -0.05 -0.04 3.06 1.83 3hi6A1 TYR 177 HB3 -0.56 0.06 -0.07 -0.04 2.98 2.37 3hi6A1 TYR 177 HD2 -0.14 0.06 -0.22 -0.04 7.15 6.82 3hi6A1 TYR 177 HE2 0.03 0.06 -0.16 -0.04 6.85 6.73 3hi6A1 LYS 178 H -0.07 0.71 0.28 -0.55 8.42 8.79 3hi6A1 LYS 178 HA -0.04 0.15 0.83 -0.75 4.32 4.50 3hi6A1 LYS 178 HB2 -0.04 -0.05 -0.16 -0.04 1.87 1.58 3hi6A1 LYS 178 HB3 -0.02 -0.07 0.05 -0.04 1.79 1.71 3hi6A1 LYS 178 HG2 0.03 0.17 -0.13 -0.04 1.46 1.49 3hi6A1 LYS 178 HG3 0.00 -0.01 0.03 -0.04 1.46 1.45 3hi6A1 LYS 178 HD2 0.01 -0.04 -0.03 -0.04 1.69 1.59 3hi6A1 LYS 178 HD3 0.04 -0.06 -0.11 -0.04 1.68 1.52 3hi6A1 LYS 178 HE2 0.02 -0.04 -0.00 -0.04 2.99 2.93 3hi6A1 LYS 178 HE3 0.04 0.01 -0.00 -0.04 2.99 2.99 3hi6A1 THR 179 H 0.12 0.17 0.08 -0.55 8.28 8.11 3hi6A1 THR 179 HA 0.04 0.12 0.84 -0.75 4.39 4.63 3hi6A1 THR 179 HB 0.07 0.01 0.11 -0.04 4.32 4.47 3hi6A1 THR 179 HG23 -0.07 -0.01 -0.22 -0.04 1.22 0.88 3hi6A1 GLU 180 H 0.02 0.50 0.39 -0.55 8.60 8.96 3hi6A1 GLU 180 HA 0.11 0.09 0.64 -0.75 4.29 4.37 3hi6A1 GLU 180 HB2 0.21 -0.01 0.07 -0.04 2.09 2.32 3hi6A1 GLU 180 HB3 0.23 0.07 0.03 -0.04 1.99 2.28 3hi6A1 GLU 180 HG2 0.13 -0.04 0.02 -0.04 2.34 2.40 3hi6A1 GLU 180 HG3 0.42 -0.03 -0.04 -0.04 2.34 2.66 3hi6A1 PHE 181 H -0.22 0.28 0.23 -0.55 8.34 8.07 3hi6A1 PHE 181 HA 0.02 0.07 0.33 -0.75 4.62 4.29 3hi6A1 PHE 181 HB2 0.04 -0.04 0.11 -0.04 3.15 3.21 3hi6A1 PHE 181 HB3 -0.01 0.27 0.06 -0.04 3.06 3.33 3hi6A1 PHE 181 HD2 0.08 0.18 -0.25 -0.04 7.28 7.25 3hi6A1 PHE 181 HE2 0.11 0.07 -0.34 -0.04 7.38 7.17 3hi6A1 PHE 181 HZ 0.19 0.04 -0.27 -0.04 7.32 7.24 3hi6A1 ASP 182 H 0.15 0.11 0.16 -0.55 8.40 8.27 3hi6A1 ASP 182 HA -0.21 0.15 0.77 -0.75 4.63 4.59 3hi6A1 ASP 182 HB2 0.11 -0.10 0.17 -0.04 2.71 2.85 3hi6A1 ASP 182 HB3 0.07 0.18 0.29 -0.04 2.70 3.20 3hi6A1 PHE 183 H -0.09 0.25 0.22 -0.55 8.34 8.17 3hi6A1 PHE 183 HA 0.22 0.32 0.45 -0.75 4.62 4.86 3hi6A1 PHE 183 HB2 0.06 0.08 0.07 -0.04 3.15 3.32 3hi6A1 PHE 183 HB3 0.10 0.08 -0.12 -0.04 3.06 3.08 3hi6A1 PHE 183 HD2 -0.01 -0.00 -0.25 -0.04 7.28 6.97 3hi6A1 PHE 183 HE2 -0.25 0.08 -0.26 -0.04 7.38 6.92 3hi6A1 PHE 183 HZ -0.40 0.03 -0.41 -0.04 7.32 6.51 3hi6A1 SER 184 H 0.24 0.38 -0.04 -0.55 8.46 8.50 3hi6A1 SER 184 HA 0.20 0.11 0.43 -0.75 4.49 4.48 3hi6A1 SER 184 HB2 0.14 0.02 -0.01 -0.04 3.95 4.06 3hi6A1 SER 184 HB3 0.15 0.04 -0.17 -0.04 3.93 3.91 3hi6A1 ASP 185 H 0.25 0.04 -0.26 -0.55 8.40 7.88 3hi6A1 ASP 185 HA 0.33 0.06 0.52 -0.75 4.63 4.79 3hi6A1 ASP 185 HB2 0.36 0.19 0.15 -0.04 2.71 3.37 3hi6A1 ASP 185 HB3 0.15 0.03 0.04 -0.04 2.70 2.88 3hi6A1 TYR 186 H 0.47 0.46 -0.15 -0.55 8.29 8.51 3hi6A1 TYR 186 HA 0.11 -0.09 0.41 -0.75 4.56 4.25 3hi6A1 TYR 186 HB2 0.44 0.04 0.10 -0.04 3.06 3.60 3hi6A1 TYR 186 HB3 0.37 0.19 0.27 -0.04 2.98 3.77 3hi6A1 TYR 186 HD2 0.17 -0.01 -0.06 -0.04 7.15 7.21 3hi6A1 TYR 186 HE2 0.17 0.11 -0.05 -0.04 6.85 7.04 3hi6A1 VAL 187 H 0.31 0.50 -0.05 -0.55 8.24 8.45 3hi6A1 VAL 187 HA 0.01 0.08 0.43 -0.75 4.13 3.89 3hi6A1 VAL 187 HB 0.15 0.01 0.15 -0.04 2.12 2.38 3hi6A1 VAL 187 HG13 0.05 -0.01 -0.09 -0.04 0.97 0.88 3hi6A1 VAL 187 HG23 0.22 0.05 0.05 -0.04 0.95 1.23 3hi6A1 LYS 188 H 0.15 0.36 -0.25 -0.55 8.42 8.13 3hi6A1 LYS 188 HA -0.06 0.03 0.38 -0.75 4.32 3.91 3hi6A1 LYS 188 HB2 0.07 0.00 0.12 -0.04 1.87 2.02 3hi6A1 LYS 188 HB3 0.24 0.03 0.15 -0.04 1.79 2.17 3hi6A1 LYS 188 HG2 -0.55 0.02 -0.17 -0.04 1.46 0.72 3hi6A1 LYS 188 HG3 -0.16 -0.03 0.03 -0.04 1.46 1.26 3hi6A1 LYS 188 HD2 0.07 -0.02 -0.01 -0.04 1.69 1.68 3hi6A1 LYS 188 HD3 0.20 -0.01 -0.02 -0.04 1.68 1.81 3hi6A1 LYS 188 HE2 0.03 -0.04 -0.02 -0.04 2.99 2.93 3hi6A1 LYS 188 HE3 -0.39 0.01 -0.03 -0.04 2.99 2.53 3hi6A1 TRP 189 H 0.27 0.42 -0.10 -0.55 7.97 8.01 3hi6A1 TRP 189 HA -0.07 0.13 0.66 -0.75 4.62 4.58 3hi6A1 TRP 189 HB2 -0.10 0.04 0.11 -0.04 3.23 3.24 3hi6A1 TRP 189 HB3 -0.09 -0.11 -0.00 -0.04 3.23 2.99 3hi6A1 TRP 189 HD1 0.01 0.20 0.11 -0.04 7.22 7.50 3hi6A1 TRP 189 HE1 0.02 -0.04 -0.01 -0.04 10.20 10.13 3hi6A1 TRP 189 HE3 -0.04 -0.03 -0.01 -0.04 7.59 7.47 3hi6A1 TRP 189 HZ2 0.02 -0.02 -0.02 -0.04 7.44 7.38 3hi6A1 TRP 189 HZ3 -0.01 -0.03 -0.01 -0.04 7.13 7.04 3hi6A1 TRP 189 HH2 0.01 -0.02 -0.01 -0.04 7.19 7.13 3hi6A1 LYS 190 H -0.15 0.54 0.11 -0.55 8.42 8.36 3hi6A1 LYS 190 HA -0.53 0.01 0.31 -0.75 4.32 3.35 3hi6A1 LYS 190 HB2 -0.10 0.08 0.04 -0.04 1.87 1.85 3hi6A1 LYS 190 HB3 -0.14 -0.06 0.20 -0.04 1.79 1.76 3hi6A1 LYS 190 HG2 -0.51 0.08 0.07 -0.04 1.46 1.06 3hi6A1 LYS 190 HG3 -0.16 0.17 -0.20 -0.04 1.46 1.22 3hi6A1 LYS 190 HD2 -0.06 -0.07 0.01 -0.04 1.69 1.53 3hi6A1 LYS 190 HD3 -0.06 -0.01 0.04 -0.04 1.68 1.60 3hi6A1 LYS 190 HE2 0.02 -0.07 0.03 -0.04 2.99 2.93 3hi6A1 LYS 190 HE3 -0.04 -0.01 0.04 -0.04 2.99 2.94 3hi6A1 ASP 191 H -0.03 0.07 -0.28 -0.55 8.40 7.62 3hi6A1 ASP 191 HA -0.02 0.21 0.72 -0.75 4.63 4.79 3hi6A1 ASP 191 HB2 0.07 0.29 -0.21 -0.04 2.71 2.82 3hi6A1 ASP 191 HB3 0.16 -0.06 -0.03 -0.04 2.70 2.73 3hi6A1 PRO 192 HA -0.20 0.07 0.30 -0.51 4.44 4.10 3hi6A1 PRO 192 HB2 -0.14 0.01 -0.01 -0.04 2.28 2.10 3hi6A1 PRO 192 HB3 -0.18 0.04 0.04 -0.04 2.02 1.87 3hi6A1 PRO 192 HG2 -0.10 0.14 0.01 -0.04 2.03 2.03 3hi6A1 PRO 192 HG3 -0.09 0.08 -0.08 -0.04 2.03 1.90 3hi6A1 PRO 192 HD2 -0.06 0.10 0.14 -0.04 3.68 3.82 3hi6A1 PRO 192 HD3 -0.03 0.29 -0.05 -0.04 3.65 3.82 3hi6A1 ASP 193 H -0.09 0.16 -0.19 -0.55 8.40 7.73 3hi6A1 ASP 193 HA -0.13 0.11 0.40 -0.75 4.63 4.25 3hi6A1 ASP 193 HB2 -0.07 -0.01 0.03 -0.04 2.71 2.62 3hi6A1 ASP 193 HB3 -0.08 0.04 -0.06 -0.04 2.70 2.56 3hi6A1 ALA 194 H -0.09 0.12 -0.20 -0.55 8.40 7.68 3hi6A1 ALA 194 HA -0.20 0.07 0.47 -0.75 4.34 3.92 3hi6A1 ALA 194 HB3 -0.16 0.04 0.05 -0.04 1.41 1.29 3hi6A1 LEU 195 H -0.26 0.47 -0.16 -0.55 8.37 7.87 3hi6A1 LEU 195 HA -0.41 0.05 0.29 -0.75 4.35 3.52 3hi6A1 LEU 195 HB2 -0.48 0.04 0.02 -0.04 1.64 1.17 3hi6A1 LEU 195 HB3 -1.26 -0.04 -0.11 -0.04 1.64 0.19 3hi6A1 LEU 195 HG -0.27 0.11 -0.02 -0.04 1.64 1.42 3hi6A1 LEU 195 HD13 -0.39 -0.02 -0.20 -0.04 0.93 0.28 3hi6A1 LEU 195 HD23 -0.38 0.02 -0.17 -0.04 0.89 0.33 3hi6A1 LEU 196 H -0.19 0.37 -0.40 -0.55 8.37 7.61 3hi6A1 LEU 196 HA 0.02 0.14 0.78 -0.75 4.35 4.54 3hi6A1 LEU 196 HB2 -0.15 0.13 0.04 -0.04 1.64 1.62 3hi6A1 LEU 196 HB3 -0.12 -0.08 0.10 -0.04 1.64 1.50 3hi6A1 LEU 196 HG -0.04 -0.02 -0.24 -0.04 1.64 1.30 3hi6A1 LEU 196 HD13 -0.25 -0.01 -0.07 -0.04 0.93 0.56 3hi6A1 LEU 196 HD23 0.06 -0.00 -0.08 -0.04 0.89 0.82 3hi6A1 LYS 197 H -0.18 0.37 -0.34 -0.55 8.42 7.71 3hi6A1 LYS 197 HA -0.19 0.01 0.28 -0.75 4.32 3.66 3hi6A1 LYS 197 HB2 -0.26 0.10 0.22 -0.04 1.87 1.90 3hi6A1 LYS 197 HB3 -0.47 0.02 0.11 -0.04 1.79 1.41 3hi6A1 LYS 197 HG2 -0.76 -0.02 -0.16 -0.04 1.46 0.47 3hi6A1 LYS 197 HG3 -0.27 -0.04 0.05 -0.04 1.46 1.16 3hi6A1 LYS 197 HD2 -0.17 -0.03 -0.02 -0.04 1.69 1.42 3hi6A1 LYS 197 HD3 -0.28 0.02 0.00 -0.04 1.68 1.39 3hi6A1 LYS 197 HE2 -0.23 -0.00 -0.04 -0.04 2.99 2.67 3hi6A1 LYS 197 HE3 -0.11 -0.03 -0.02 -0.04 2.99 2.79 3hi6A1 HIS 198 H -0.04 0.16 -0.31 -0.55 8.41 7.69 3hi6A1 HIS 198 HA -0.00 0.18 0.54 -0.75 4.63 4.60 3hi6A1 HIS 198 HB2 -0.03 0.05 0.05 -0.04 3.26 3.29 3hi6A1 HIS 198 HB3 -0.00 -0.03 0.13 -0.04 3.20 3.25 3hi6A1 HIS 198 HD2 -0.12 0.07 -0.01 -0.04 6.97 6.87 3hi6A1 HIS 198 HE1 -0.02 -0.02 -0.05 -0.04 7.75 7.62 3hi6A1 VAL 199 H 0.04 0.39 -0.41 -0.55 8.24 7.72 3hi6A1 VAL 199 HA 0.14 0.00 0.47 -0.75 4.13 3.99 3hi6A1 VAL 199 HB 0.10 0.09 0.07 -0.04 2.12 2.34 3hi6A1 VAL 199 HG13 0.34 -0.04 -0.26 -0.04 0.97 0.96 3hi6A1 VAL 199 HG23 0.15 -0.01 -0.01 -0.04 0.95 1.05 3hi6A1 LYS 200 H 0.10 0.16 0.16 -0.55 8.42 8.29 3hi6A1 LYS 200 HA 0.09 0.14 0.84 -0.75 4.32 4.64 3hi6A1 LYS 200 HB2 0.06 0.07 -0.01 -0.04 1.87 1.95 3hi6A1 LYS 200 HB3 0.05 -0.04 0.11 -0.04 1.79 1.86 3hi6A1 LYS 200 HG2 0.01 -0.04 -0.08 -0.04 1.46 1.32 3hi6A1 LYS 200 HG3 0.02 0.07 -0.42 -0.04 1.46 1.09 3hi6A1 LYS 200 HD2 0.04 -0.02 0.04 -0.04 1.69 1.71 3hi6A1 LYS 200 HD3 0.03 -0.01 -0.02 -0.04 1.68 1.64 3hi6A1 LYS 200 HE2 0.00 -0.04 -0.01 -0.04 2.99 2.90 3hi6A1 LYS 200 HE3 -0.01 -0.03 -0.05 -0.04 2.99 2.87 3hi6A1 HIS 201 H 0.13 0.18 0.04 -0.55 8.41 8.22 3hi6A1 HIS 201 HA -0.24 -0.02 0.37 -0.75 4.63 3.99 3hi6A1 HIS 201 HB2 -0.14 0.03 0.09 -0.04 3.26 3.21 3hi6A1 HIS 201 HB3 -0.18 0.02 0.08 -0.04 3.20 3.08 3hi6A1 HIS 201 HD2 -0.77 -0.14 0.13 -0.04 6.97 6.15 3hi6A1 HIS 201 HE1 -0.24 -0.01 -0.07 -0.04 7.75 7.39 3hi6A1 MET 202 H -0.01 0.05 0.23 -0.55 8.47 8.20 3hi6A1 MET 202 HA -0.07 0.13 0.28 -0.75 4.52 4.10 3hi6A1 MET 202 HB2 -0.09 -0.04 0.08 -0.04 2.15 2.06 3hi6A1 MET 202 HB3 -0.09 -0.16 -0.04 -0.04 2.03 1.70 3hi6A1 MET 202 HG2 -0.06 0.02 -0.04 -0.04 2.63 2.50 3hi6A1 MET 202 HG3 -0.03 0.21 0.04 -0.04 2.56 2.73 3hi6A1 MET 202 HE3 -0.06 0.03 -0.20 -0.04 2.10 1.83 3hi6A1 LEU 203 H -0.25 0.71 0.17 -0.55 8.37 8.45 3hi6A1 LEU 203 HA -0.33 0.05 0.14 -0.75 4.35 3.46 3hi6A1 LEU 203 HB2 -0.20 0.24 -0.22 -0.04 1.64 1.42 3hi6A1 LEU 203 HB3 -0.22 -0.06 0.19 -0.04 1.64 1.51 3hi6A1 LEU 203 HG -0.61 0.03 -0.41 -0.04 1.64 0.61 3hi6A1 LEU 203 HD13 -0.21 -0.01 -0.05 -0.04 0.93 0.63 3hi6A1 LEU 203 HD23 -0.79 0.01 -0.09 -0.04 0.89 -0.02 3hi6A1 LEU 204 H -0.12 -0.02 -0.18 -0.55 8.37 7.51 3hi6A1 LEU 204 HA -0.07 0.29 0.87 -0.75 4.35 4.69 3hi6A1 LEU 204 HB2 -0.07 -0.25 0.15 -0.04 1.64 1.44 3hi6A1 LEU 204 HB3 -0.05 -0.05 0.21 -0.04 1.64 1.71 3hi6A1 LEU 204 HG -0.08 0.24 -0.23 -0.04 1.64 1.52 3hi6A1 LEU 204 HD13 -0.06 -0.02 0.01 -0.04 0.93 0.82 3hi6A1 LEU 204 HD23 -0.06 0.05 -0.03 -0.04 0.89 0.81 3hi6A1 LEU 205 H -0.03 0.04 0.11 -0.55 8.37 7.94 3hi6A1 LEU 205 HA 0.00 0.20 0.48 -0.75 4.35 4.27 3hi6A1 LEU 205 HB2 0.01 0.00 0.09 -0.04 1.64 1.70 3hi6A1 LEU 205 HB3 0.04 -0.11 0.14 -0.04 1.64 1.67 3hi6A1 LEU 205 HG -0.01 -0.05 0.01 -0.04 1.64 1.55 3hi6A1 LEU 205 HD13 0.00 0.03 0.02 -0.04 0.93 0.94 3hi6A1 LEU 205 HD23 -0.00 0.03 -0.05 -0.04 0.89 0.83 3hi6A1 THR 206 H 0.09 0.14 0.02 -0.55 8.28 7.99 3hi6A1 THR 206 HA 0.20 0.24 0.80 -0.75 4.39 4.88 3hi6A1 THR 206 HB 0.16 -0.08 0.26 -0.04 4.32 4.62 3hi6A1 THR 206 HG23 0.28 0.02 0.01 -0.04 1.22 1.49 3hi6A1 ASN 207 H 0.28 0.94 0.00 -0.55 8.53 9.21 3hi6A1 ASN 207 HA 0.23 -0.10 0.57 -0.75 4.76 4.71 3hi6A1 ASN 207 HB2 0.25 0.28 0.19 -0.04 2.88 3.57 3hi6A1 ASN 207 HB3 0.25 -0.09 0.17 -0.04 2.79 3.08 3hi6A1 ASN 207 HD21 0.03 -0.03 0.07 -0.04 7.03 7.06 3hi6A1 ASN 207 HD22 0.01 0.50 0.27 -0.04 7.74 8.48 3hi6A1 THR 208 H 0.22 0.38 0.11 -0.55 8.28 8.45 3hi6A1 THR 208 HA -0.66 0.09 0.09 -0.75 4.39 3.17 3hi6A1 THR 208 HB -0.06 0.03 -0.06 -0.04 4.32 4.19 3hi6A1 THR 208 HG23 -0.80 0.03 -0.10 -0.04 1.22 0.30 3hi6A1 PHE 209 H 0.37 0.04 -0.21 -0.55 8.34 7.99 3hi6A1 PHE 209 HA -0.06 0.16 0.33 -0.75 4.62 4.29 3hi6A1 PHE 209 HB2 0.08 -0.08 -0.17 -0.04 3.15 2.94 3hi6A1 PHE 209 HB3 0.06 0.11 -0.34 -0.04 3.06 2.85 3hi6A1 PHE 209 HD2 0.17 -0.07 -0.34 -0.04 7.28 7.01 3hi6A1 PHE 209 HE2 0.08 0.05 -0.03 -0.04 7.38 7.44 3hi6A1 PHE 209 HZ -0.15 0.02 0.02 -0.04 7.32 7.17 3hi6A1 GLY 210 H 0.18 0.06 -0.19 -0.55 8.43 7.94 3hi6A1 GLY 210 HA2 0.05 0.08 0.42 -0.51 4.01 4.05 3hi6A1 GLY 210 HA3 0.19 0.08 0.26 -0.51 4.01 4.03 3hi6A1 ALA 211 H -0.36 0.32 -0.38 -0.55 8.40 7.43 3hi6A1 ALA 211 HA -1.31 0.02 0.31 -0.75 4.34 2.61 3hi6A1 ALA 211 HB3 -0.60 0.04 -0.08 -0.04 1.41 0.73 3hi6A1 ILE 212 H -0.40 0.54 -0.13 -0.55 8.25 7.71 3hi6A1 ILE 212 HA -0.23 0.05 0.40 -0.75 4.18 3.65 3hi6A1 ILE 212 HB -0.30 0.06 0.10 -0.04 1.89 1.71 3hi6A1 ILE 212 HG12 -0.43 0.01 -0.03 -0.04 1.49 0.99 3hi6A1 ILE 212 HG13 -0.64 0.07 0.03 -0.04 1.21 0.63 3hi6A1 ILE 212 HG23 -0.17 0.01 -0.09 -0.04 0.93 0.64 3hi6A1 ILE 212 HD13 -1.16 -0.01 -0.10 -0.04 0.88 -0.43 3hi6A1 ASN 213 H -0.12 0.41 -0.25 -0.55 8.53 8.02 3hi6A1 ASN 213 HA -0.03 0.02 0.49 -0.75 4.76 4.49 3hi6A1 ASN 213 HB2 -0.00 0.10 0.11 -0.04 2.88 3.04 3hi6A1 ASN 213 HB3 0.01 -0.03 -0.01 -0.04 2.79 2.72 3hi6A1 ASN 213 HD21 0.10 0.37 0.13 -0.04 7.03 7.59 3hi6A1 ASN 213 HD22 0.07 -0.08 -0.04 -0.04 7.74 7.65 3hi6A1 TYR 214 H -0.09 0.55 -0.15 -0.55 8.29 8.05 3hi6A1 TYR 214 HA -0.05 0.01 0.38 -0.75 4.56 4.16 3hi6A1 TYR 214 HB2 -0.20 0.01 0.05 -0.04 3.06 2.88 3hi6A1 TYR 214 HB3 -0.42 0.11 0.13 -0.04 2.98 2.76 3hi6A1 TYR 214 HD2 0.01 0.04 -0.16 -0.04 7.15 6.99 3hi6A1 TYR 214 HE2 0.02 0.01 -0.15 -0.04 6.85 6.69 3hi6A1 VAL 215 H -0.01 0.59 -0.24 -0.55 8.24 8.03 3hi6A1 VAL 215 HA -0.13 -0.04 0.34 -0.75 4.13 3.55 3hi6A1 VAL 215 HB -0.02 0.17 0.09 -0.04 2.12 2.32 3hi6A1 VAL 215 HG13 0.05 -0.00 -0.22 -0.04 0.97 0.75 3hi6A1 VAL 215 HG23 -0.01 0.03 -0.06 -0.04 0.95 0.87 3hi6A1 ALA 216 H -0.00 0.42 -0.25 -0.55 8.40 8.02 3hi6A1 ALA 216 HA 0.20 0.04 0.26 -0.75 4.34 4.09 3hi6A1 ALA 216 HB3 0.00 0.05 -0.09 -0.04 1.41 1.34 3hi6A1 THR 217 H -0.05 0.42 -0.27 -0.55 8.28 7.83 3hi6A1 THR 217 HA -0.00 0.21 0.78 -0.75 4.39 4.63 3hi6A1 THR 217 HB -0.02 -0.05 0.05 -0.04 4.32 4.26 3hi6A1 THR 217 HG23 -0.01 0.03 -0.05 -0.04 1.22 1.15 3hi6A1 GLU 218 H -0.25 0.57 -0.02 -0.55 8.60 8.35 3hi6A1 GLU 218 HA -0.15 0.19 0.83 -0.75 4.29 4.40 3hi6A1 GLU 218 HB2 -1.23 0.08 -0.01 -0.04 2.09 0.89 3hi6A1 GLU 218 HB3 -0.45 -0.08 0.04 -0.04 1.99 1.47 3hi6A1 GLU 218 HG2 -0.30 0.00 -0.04 -0.04 2.34 1.96 3hi6A1 GLU 218 HG3 -0.34 -0.08 -0.03 -0.04 2.34 1.85 3hi6A1 VAL 219 H -0.16 0.42 -0.01 -0.55 8.24 7.94 3hi6A1 VAL 219 HA -0.17 0.13 0.85 -0.75 4.13 4.19 3hi6A1 VAL 219 HB -0.31 0.15 0.11 -0.04 2.12 2.03 3hi6A1 VAL 219 HG13 -0.52 -0.02 -0.14 -0.04 0.97 0.26 3hi6A1 VAL 219 HG23 -0.22 -0.01 -0.19 -0.04 0.95 0.49 3hi6A1 PHE 220 H 0.07 0.39 -0.01 -0.55 8.34 8.23 3hi6A1 PHE 220 HA 0.23 0.05 0.48 -0.75 4.62 4.63 3hi6A1 PHE 220 HB2 0.01 0.16 0.14 -0.04 3.15 3.42 3hi6A1 PHE 220 HB3 0.02 0.01 0.11 -0.04 3.06 3.16 3hi6A1 PHE 220 HD2 0.02 0.01 -0.13 -0.04 7.28 7.15 3hi6A1 PHE 220 HE2 0.04 0.05 -0.14 -0.04 7.38 7.30 3hi6A1 PHE 220 HZ 0.06 0.19 -0.11 -0.04 7.32 7.42 3hi6A1 ARG 221 H 0.14 0.57 -0.24 -0.55 8.46 8.37 3hi6A1 ARG 221 HA 0.08 0.25 0.84 -0.75 4.34 4.74 3hi6A1 ARG 221 HB2 0.04 -0.06 -0.08 -0.04 1.90 1.76 3hi6A1 ARG 221 HB3 0.04 -0.09 -0.01 -0.04 1.80 1.70 3hi6A1 ARG 221 HG2 0.04 0.13 -0.72 -0.04 1.67 1.08 3hi6A1 ARG 221 HG3 -0.01 0.06 -0.53 -0.04 1.67 1.15 3hi6A1 ARG 221 HD2 0.01 -0.03 -0.02 -0.04 3.22 3.14 3hi6A1 ARG 221 HD3 -0.01 0.28 0.05 -0.04 3.22 3.50 3hi6A1 GLU 222 H 0.05 0.23 0.10 -0.55 8.60 8.42 3hi6A1 GLU 222 HA 0.04 0.33 0.28 -0.75 4.29 4.19 3hi6A1 GLU 222 HB2 0.02 0.04 0.05 -0.04 2.09 2.16 3hi6A1 GLU 222 HB3 0.02 -0.05 0.06 -0.04 1.99 1.99 3hi6A1 GLU 222 HG2 0.02 -0.05 -0.05 -0.04 2.34 2.23 3hi6A1 GLU 222 HG3 0.01 0.25 0.09 -0.04 2.34 2.65 3hi6A1 GLU 223 H 0.04 0.06 -0.24 -0.55 8.60 7.92 3hi6A1 GLU 223 HA 0.04 0.13 0.48 -0.75 4.29 4.19 3hi6A1 GLU 223 HB2 0.04 -0.02 0.00 -0.04 2.09 2.07 3hi6A1 GLU 223 HB3 0.04 0.04 -0.01 -0.04 1.99 2.02 3hi6A1 GLU 223 HG2 0.03 0.02 0.01 -0.04 2.34 2.36 3hi6A1 GLU 223 HG3 0.03 0.04 0.03 -0.04 2.34 2.39 3hi6A1 LEU 224 H 0.08 0.28 -0.35 -0.55 8.37 7.84 3hi6A1 LEU 224 HA 0.09 0.17 0.82 -0.75 4.35 4.68 3hi6A1 LEU 224 HB2 0.09 0.15 0.15 -0.04 1.64 1.99 3hi6A1 LEU 224 HB3 0.06 -0.13 0.26 -0.04 1.64 1.79 3hi6A1 LEU 224 HG 0.04 -0.10 -0.09 -0.04 1.64 1.45 3hi6A1 LEU 224 HD13 -0.01 0.01 0.09 -0.04 0.93 0.98 3hi6A1 LEU 224 HD23 0.05 0.02 -0.09 -0.04 0.89 0.83 3hi6A1 GLY 225 H 0.10 0.35 -0.41 -0.55 8.43 7.93 3hi6A1 GLY 225 HA2 0.09 0.10 0.19 -0.51 4.01 3.89 3hi6A1 GLY 225 HA3 0.20 -0.04 0.43 -0.51 4.01 4.09 3hi6A1 ALA 226 H 0.17 0.28 -0.18 -0.55 8.40 8.12 3hi6A1 ALA 226 HA -0.48 0.04 0.37 -0.75 4.34 3.52 3hi6A1 ALA 226 HB3 0.12 -0.02 -0.35 -0.04 1.41 1.11 3hi6A1 ARG 227 H -0.23 0.15 0.05 -0.55 8.46 7.87 3hi6A1 ARG 227 HA -0.05 0.18 0.76 -0.75 4.34 4.47 3hi6A1 ARG 227 HB2 -0.13 0.01 -0.07 -0.04 1.90 1.66 3hi6A1 ARG 227 HB3 -0.07 -0.07 -0.15 -0.04 1.80 1.47 3hi6A1 ARG 227 HG2 -0.05 -0.02 -0.07 -0.04 1.67 1.50 3hi6A1 ARG 227 HG3 -0.11 0.11 -0.12 -0.04 1.67 1.52 3hi6A1 ARG 227 HD2 -0.06 -0.00 -0.07 -0.04 3.22 3.05 3hi6A1 ARG 227 HD3 -0.04 0.02 -0.06 -0.04 3.22 3.10 3hi6A1 PRO 228 HA -0.04 0.15 0.56 -0.51 4.44 4.60 3hi6A1 PRO 228 HB2 -0.03 0.03 0.01 -0.04 2.28 2.25 3hi6A1 PRO 228 HB3 -0.02 0.01 0.08 -0.04 2.02 2.05 3hi6A1 PRO 228 HG2 -0.02 0.01 0.07 -0.04 2.03 2.05 3hi6A1 PRO 228 HG3 -0.01 0.03 0.06 -0.04 2.03 2.06 3hi6A1 PRO 228 HD2 -0.03 0.09 0.20 -0.04 3.68 3.90 3hi6A1 PRO 228 HD3 -0.02 0.20 0.15 -0.04 3.65 3.95 3hi6A1 ASP 229 H -0.04 0.09 -0.19 -0.55 8.40 7.71 3hi6A1 ASP 229 HA -0.04 0.14 0.62 -0.75 4.63 4.59 3hi6A1 ASP 229 HB2 -0.04 0.01 0.16 -0.04 2.71 2.81 3hi6A1 ASP 229 HB3 -0.03 -0.03 0.07 -0.04 2.70 2.67 3hi6A1 ALA 230 H -0.07 0.52 -0.39 -0.55 8.40 7.92 3hi6A1 ALA 230 HA -0.09 0.14 0.60 -0.75 4.34 4.24 3hi6A1 ALA 230 HB3 -0.13 0.02 -0.31 -0.04 1.41 0.96 3hi6A1 THR 231 H -0.10 0.84 0.27 -0.55 8.28 8.74 3hi6A1 THR 231 HA -0.07 0.06 0.82 -0.75 4.39 4.45 3hi6A1 THR 231 HB -0.06 0.09 0.18 -0.04 4.32 4.49 3hi6A1 THR 231 HG23 0.01 0.02 -0.10 -0.04 1.22 1.11 3hi6A1 LYS 232 H -0.13 0.17 0.26 -0.55 8.42 8.17 3hi6A1 LYS 232 HA -0.06 0.20 0.80 -0.75 4.32 4.51 3hi6A1 LYS 232 HB2 -0.36 0.07 0.27 -0.04 1.87 1.80 3hi6A1 LYS 232 HB3 -0.99 -0.05 0.03 -0.04 1.79 0.73 3hi6A1 LYS 232 HG2 -0.47 -0.03 -0.02 -0.04 1.46 0.90 3hi6A1 LYS 232 HG3 -0.25 0.10 0.04 -0.04 1.46 1.31 3hi6A1 LYS 232 HD2 -0.44 0.01 -0.02 -0.04 1.69 1.19 3hi6A1 LYS 232 HD3 -0.88 -0.05 -0.01 -0.04 1.68 0.70 3hi6A1 LYS 232 HE2 -0.16 0.08 0.04 -0.04 2.99 2.91 3hi6A1 LYS 232 HE3 -0.16 -0.04 0.01 -0.04 2.99 2.76 3hi6A1 VAL 233 H 0.17 0.74 0.44 -0.55 8.24 9.04 3hi6A1 VAL 233 HA 0.08 0.26 1.13 -0.75 4.13 4.85 3hi6A1 VAL 233 HB 0.10 -0.09 0.01 -0.04 2.12 2.10 3hi6A1 VAL 233 HG13 0.23 -0.02 -0.15 -0.04 0.97 0.99 3hi6A1 VAL 233 HG23 0.10 0.07 -0.22 -0.04 0.95 0.86 3hi6A1 LEU 234 H 0.13 0.86 0.39 -0.55 8.37 9.20 3hi6A1 LEU 234 HA 0.13 0.13 0.97 -0.75 4.35 4.83 3hi6A1 LEU 234 HB2 0.13 0.00 -0.08 -0.04 1.64 1.65 3hi6A1 LEU 234 HB3 0.05 0.01 0.12 -0.04 1.64 1.77 3hi6A1 LEU 234 HG 0.01 -0.05 -0.15 -0.04 1.64 1.40 3hi6A1 LEU 234 HD13 0.05 0.01 -0.08 -0.04 0.93 0.88 3hi6A1 LEU 234 HD23 0.00 -0.01 -0.06 -0.04 0.89 0.78 3hi6A1 ILE 235 H 0.08 0.75 0.32 -0.55 8.25 8.86 3hi6A1 ILE 235 HA 0.20 0.21 0.95 -0.75 4.18 4.79 3hi6A1 ILE 235 HB 0.22 -0.03 0.21 -0.04 1.89 2.25 3hi6A1 ILE 235 HG12 0.11 0.08 -0.07 -0.04 1.49 1.57 3hi6A1 ILE 235 HG13 0.05 0.02 -0.19 -0.04 1.21 1.06 3hi6A1 ILE 235 HG23 0.36 -0.02 -0.18 -0.04 0.93 1.04 3hi6A1 ILE 235 HD13 0.26 -0.01 -0.10 -0.04 0.88 0.99 3hi6A1 ILE 236 H 0.13 0.81 0.25 -0.55 8.25 8.89 3hi6A1 ILE 236 HA 0.14 0.18 0.91 -0.75 4.18 4.65 3hi6A1 ILE 236 HB 0.05 0.04 0.19 -0.04 1.89 2.13 3hi6A1 ILE 236 HG12 -0.13 -0.05 -0.06 -0.04 1.49 1.20 3hi6A1 ILE 236 HG13 -0.01 0.00 -0.16 -0.04 1.21 1.00 3hi6A1 ILE 236 HG23 -0.04 -0.03 -0.17 -0.04 0.93 0.64 3hi6A1 ILE 236 HD13 -0.26 0.01 -0.11 -0.04 0.88 0.48 3hi6A1 ILE 237 H 0.26 0.75 0.39 -0.55 8.25 9.10 3hi6A1 ILE 237 HA 0.06 0.35 0.98 -0.75 4.18 4.81 3hi6A1 ILE 237 HB 0.21 -0.15 0.20 -0.04 1.89 2.12 3hi6A1 ILE 237 HG12 0.16 0.02 -0.22 -0.04 1.49 1.41 3hi6A1 ILE 237 HG13 0.29 0.13 -0.16 -0.04 1.21 1.43 3hi6A1 ILE 237 HG23 -0.04 -0.00 -0.06 -0.04 0.93 0.79 3hi6A1 ILE 237 HD13 0.29 -0.01 -0.07 -0.04 0.88 1.04 3hi6A1 THR 238 H 0.04 0.55 0.34 -0.55 8.28 8.66 3hi6A1 THR 238 HA 0.16 0.06 0.80 -0.75 4.39 4.66 3hi6A1 THR 238 HB 0.39 0.08 -0.35 -0.04 4.32 4.39 3hi6A1 THR 238 HG23 0.35 0.01 -0.17 -0.04 1.22 1.37 3hi6A1 ASP 239 H 0.21 0.14 0.13 -0.55 8.40 8.33 3hi6A1 ASP 239 HA 0.21 0.29 0.95 -0.75 4.63 5.32 3hi6A1 ASP 239 HB2 0.15 -0.02 0.10 -0.04 2.71 2.90 3hi6A1 ASP 239 HB3 0.11 -0.04 -0.09 -0.04 2.70 2.64 3hi6A1 GLY 240 H 0.33 0.19 0.00 -0.55 8.43 8.41 3hi6A1 GLY 240 HA2 0.12 0.20 0.39 -0.51 4.01 4.21 3hi6A1 GLY 240 HA3 0.14 0.11 0.52 -0.51 4.01 4.28 3hi6A1 GLU 241 H 0.08 0.11 0.09 -0.55 8.60 8.33 3hi6A1 GLU 241 HA 0.10 0.10 0.35 -0.75 4.29 4.09 3hi6A1 GLU 241 HB2 0.06 -0.02 0.21 -0.04 2.09 2.30 3hi6A1 GLU 241 HB3 0.02 -0.03 0.10 -0.04 1.99 2.04 3hi6A1 GLU 241 HG2 0.07 0.02 -0.21 -0.04 2.34 2.18 3hi6A1 GLU 241 HG3 0.04 0.08 -0.01 -0.04 2.34 2.42 3hi6A1 ALA 242 H 0.20 0.15 0.21 -0.55 8.40 8.41 3hi6A1 ALA 242 HA 0.25 0.17 0.80 -0.75 4.34 4.80 3hi6A1 ALA 242 HB3 0.46 -0.03 0.17 -0.04 1.41 1.97 3hi6A1 THR 243 H 0.18 0.46 0.31 -0.55 8.28 8.68 3hi6A1 THR 243 HA 0.08 0.17 0.69 -0.75 4.39 4.58 3hi6A1 THR 243 HB 0.11 -0.06 -0.12 -0.04 4.32 4.21 3hi6A1 THR 243 HG23 0.04 0.03 0.02 -0.04 1.22 1.27 3hi6A1 ASP 244 H 0.21 -0.08 0.00 -0.55 8.40 7.98 3hi6A1 ASP 244 HA 0.04 0.26 0.77 -0.75 4.63 4.94 3hi6A1 ASP 244 HB2 0.07 0.10 0.20 -0.04 2.71 3.03 3hi6A1 ASP 244 HB3 0.12 0.01 0.04 -0.04 2.70 2.83 3hi6A1 SER 245 H -0.11 0.26 0.20 -0.55 8.46 8.27 3hi6A1 SER 245 HA -1.29 0.13 0.50 -0.75 4.49 3.08 3hi6A1 SER 245 HB2 -0.39 -0.00 0.15 -0.04 3.95 3.67 3hi6A1 SER 245 HB3 -0.24 0.10 -0.09 -0.04 3.93 3.66 3hi6A1 GLY 246 H -0.71 0.31 0.18 -0.55 8.43 7.67 3hi6A1 GLY 246 HA2 -0.11 0.04 0.24 -0.51 4.01 3.68 3hi6A1 GLY 246 HA3 -0.06 0.16 0.77 -0.51 4.01 4.37 3hi6A1 ASN 247 H 0.06 0.16 0.17 -0.55 8.53 8.37 3hi6A1 ASN 247 HA 0.16 0.26 0.89 -0.75 4.76 5.32 3hi6A1 ASN 247 HB2 0.06 0.04 0.15 -0.04 2.88 3.09 3hi6A1 ASN 247 HB3 0.04 0.05 0.06 -0.04 2.79 2.90 3hi6A1 ASN 247 HD21 0.03 0.04 0.01 -0.04 7.03 7.07 3hi6A1 ASN 247 HD22 0.03 0.03 0.04 -0.04 7.74 7.79 3hi6A1 ILE 248 H 0.13 0.27 0.03 -0.55 8.25 8.13 3hi6A1 ILE 248 HA 0.06 0.17 0.75 -0.75 4.18 4.41 3hi6A1 ILE 248 HB -0.02 0.02 0.09 -0.04 1.89 1.94 3hi6A1 ILE 248 HG12 0.16 -0.04 -0.11 -0.04 1.49 1.46 3hi6A1 ILE 248 HG13 0.06 0.01 -0.08 -0.04 1.21 1.16 3hi6A1 ILE 248 HG23 0.06 0.01 -0.22 -0.04 0.93 0.73 3hi6A1 ILE 248 HD13 0.02 0.09 -0.06 -0.04 0.88 0.89 3hi6A1 ASP 249 H 0.04 0.10 -0.15 -0.55 8.40 7.84 3hi6A1 ASP 249 HA 0.01 0.15 0.38 -0.75 4.63 4.41 3hi6A1 ASP 249 HB2 0.02 -0.03 0.06 -0.04 2.71 2.72 3hi6A1 ASP 249 HB3 0.01 0.08 0.01 -0.04 2.70 2.75 3hi6A1 ALA 250 H 0.01 0.04 -0.31 -0.55 8.40 7.60 3hi6A1 ALA 250 HA -0.01 0.09 0.37 -0.75 4.34 4.04 3hi6A1 ALA 250 HB3 -0.00 0.01 0.00 -0.04 1.41 1.38 3hi6A1 ALA 251 H -0.02 0.39 -0.50 -0.55 8.40 7.72 3hi6A1 ALA 251 HA -0.05 0.13 0.60 -0.75 4.34 4.27 3hi6A1 ALA 251 HB3 -0.05 0.03 0.01 -0.04 1.41 1.37 3hi6A1 LYS 252 H -0.03 0.43 -0.34 -0.55 8.42 7.93 3hi6A1 LYS 252 HA -0.04 0.04 0.30 -0.75 4.32 3.87 3hi6A1 LYS 252 HB2 -0.02 0.16 0.22 -0.04 1.87 2.19 3hi6A1 LYS 252 HB3 -0.03 -0.03 0.08 -0.04 1.79 1.76 3hi6A1 LYS 252 HG2 -0.03 0.02 -0.06 -0.04 1.46 1.35 3hi6A1 LYS 252 HG3 -0.02 -0.02 0.07 -0.04 1.46 1.44 3hi6A1 LYS 252 HD2 -0.02 0.01 0.02 -0.04 1.69 1.66 3hi6A1 LYS 252 HD3 -0.02 -0.03 0.01 -0.04 1.68 1.61 3hi6A1 LYS 252 HE2 -0.00 -0.03 0.03 -0.04 2.99 2.94 3hi6A1 LYS 252 HE3 -0.01 0.01 0.10 -0.04 2.99 3.05 3hi6A1 ASP 253 H -0.07 0.09 -0.26 -0.55 8.40 7.61 3hi6A1 ASP 253 HA -0.06 0.14 0.48 -0.75 4.63 4.44 3hi6A1 ASP 253 HB2 -0.09 0.02 0.05 -0.04 2.71 2.65 3hi6A1 ASP 253 HB3 -0.08 0.01 0.17 -0.04 2.70 2.77 3hi6A1 ILE 254 H -0.11 0.44 -0.38 -0.55 8.25 7.65 3hi6A1 ILE 254 HA -0.19 0.16 0.84 -0.75 4.18 4.23 3hi6A1 ILE 254 HB -0.10 0.09 0.03 -0.04 1.89 1.87 3hi6A1 ILE 254 HG12 -0.57 0.02 -0.09 -0.04 1.49 0.81 3hi6A1 ILE 254 HG13 -0.21 -0.11 -0.12 -0.04 1.21 0.73 3hi6A1 ILE 254 HG23 -0.06 -0.00 -0.30 -0.04 0.93 0.52 3hi6A1 ILE 254 HD13 -0.01 -0.03 -0.05 -0.04 0.88 0.75 3hi6A1 ILE 255 H -0.07 0.69 0.34 -0.55 8.25 8.66 3hi6A1 ILE 255 HA -0.26 0.06 0.72 -0.75 4.18 3.95 3hi6A1 ILE 255 HB 0.03 0.02 0.22 -0.04 1.89 2.12 3hi6A1 ILE 255 HG12 0.02 -0.06 0.00 -0.04 1.49 1.42 3hi6A1 ILE 255 HG13 0.01 0.02 0.07 -0.04 1.21 1.27 3hi6A1 ILE 255 HG23 -0.31 -0.00 -0.13 -0.04 0.93 0.45 3hi6A1 ILE 255 HD13 0.14 0.02 0.01 -0.04 0.88 1.01 3hi6A1 ARG 256 H -0.52 0.13 0.18 -0.55 8.46 7.70 3hi6A1 ARG 256 HA -0.02 0.23 1.02 -0.75 4.34 4.82 3hi6A1 ARG 256 HB2 -0.20 0.01 0.14 -0.04 1.90 1.81 3hi6A1 ARG 256 HB3 -0.08 -0.02 -0.04 -0.04 1.80 1.61 3hi6A1 ARG 256 HG2 -0.06 -0.10 -0.21 -0.04 1.67 1.26 3hi6A1 ARG 256 HG3 -0.13 0.10 -0.57 -0.04 1.67 1.04 3hi6A1 ARG 256 HD2 -0.10 -0.16 -0.05 -0.04 3.22 2.86 3hi6A1 ARG 256 HD3 -0.09 0.14 -0.06 -0.04 3.22 3.17 3hi6A1 TYR 257 H 0.26 0.65 0.42 -0.55 8.29 9.07 3hi6A1 TYR 257 HA 0.14 0.23 0.98 -0.75 4.56 5.16 3hi6A1 TYR 257 HB2 0.07 -0.06 0.21 -0.04 3.06 3.24 3hi6A1 TYR 257 HB3 -0.03 -0.01 -0.01 -0.04 2.98 2.89 3hi6A1 TYR 257 HD2 0.02 0.05 -0.03 -0.04 7.15 7.15 3hi6A1 TYR 257 HE2 0.04 0.07 -0.07 -0.04 6.85 6.85 3hi6A1 ILE 258 H 0.16 0.55 0.27 -0.55 8.25 8.68 3hi6A1 ILE 258 HA 0.14 0.24 1.09 -0.75 4.18 4.90 3hi6A1 ILE 258 HB 0.26 -0.09 0.16 -0.04 1.89 2.19 3hi6A1 ILE 258 HG12 0.12 0.06 -0.14 -0.04 1.49 1.48 3hi6A1 ILE 258 HG13 0.18 0.01 -0.05 -0.04 1.21 1.30 3hi6A1 ILE 258 HG23 0.34 -0.02 -0.08 -0.04 0.93 1.12 3hi6A1 ILE 258 HD13 0.11 0.04 -0.41 -0.04 0.88 0.58 3hi6A1 ILE 259 H 0.05 0.81 0.27 -0.55 8.25 8.83 3hi6A1 ILE 259 HA -0.18 0.15 0.81 -0.75 4.18 4.21 3hi6A1 ILE 259 HB -0.10 -0.03 0.04 -0.04 1.89 1.76 3hi6A1 ILE 259 HG12 0.04 0.04 -0.26 -0.04 1.49 1.28 3hi6A1 ILE 259 HG13 0.03 0.01 -0.16 -0.04 1.21 1.05 3hi6A1 ILE 259 HG23 -0.35 -0.02 -0.20 -0.04 0.93 0.32 3hi6A1 ILE 259 HD13 -0.38 0.04 -0.39 -0.04 0.88 0.10 3hi6A1 GLY 260 H -0.52 0.70 0.41 -0.55 8.43 8.47 3hi6A1 GLY 260 HA2 -1.18 0.28 0.66 -0.51 4.01 3.26 3hi6A1 GLY 260 HA3 -2.70 0.01 0.37 -0.51 4.01 1.18 3hi6A1 ILE 261 H -0.30 0.53 0.38 -0.55 8.25 8.30 3hi6A1 ILE 261 HA -0.14 0.06 0.67 -0.75 4.18 4.01 3hi6A1 ILE 261 HB -0.14 0.07 -0.06 -0.04 1.89 1.72 3hi6A1 ILE 261 HG12 -0.01 -0.07 0.05 -0.04 1.49 1.42 3hi6A1 ILE 261 HG13 -0.07 -0.03 0.16 -0.04 1.21 1.23 3hi6A1 ILE 261 HG23 -0.00 0.01 -0.18 -0.04 0.93 0.72 3hi6A1 ILE 261 HD13 -0.04 0.01 0.00 -0.04 0.88 0.81 3hi6A1 GLY 262 H -0.00 0.11 0.14 -0.55 8.43 8.13 3hi6A1 GLY 262 HA2 0.06 0.04 0.39 -0.51 4.01 3.99 3hi6A1 GLY 262 HA3 0.11 0.12 0.52 -0.51 4.01 4.25 3hi6A1 LYS 263 H 0.11 0.16 0.20 -0.55 8.42 8.33 3hi6A1 LYS 263 HA 0.03 0.19 0.51 -0.75 4.32 4.29 3hi6A1 LYS 263 HB2 -0.17 0.04 0.07 -0.04 1.87 1.76 3hi6A1 LYS 263 HB3 -0.09 0.06 0.14 -0.04 1.79 1.86 3hi6A1 LYS 263 HG2 0.01 0.01 -0.11 -0.04 1.46 1.33 3hi6A1 LYS 263 HG3 0.02 -0.06 0.07 -0.04 1.46 1.45 3hi6A1 LYS 263 HD2 -0.01 0.02 0.03 -0.04 1.69 1.68 3hi6A1 LYS 263 HD3 -0.03 0.04 0.03 -0.04 1.68 1.67 3hi6A1 LYS 263 HE2 0.00 0.01 -0.01 -0.04 2.99 2.95 3hi6A1 LYS 263 HE3 0.01 -0.03 0.00 -0.04 2.99 2.93 3hi6A1 HIS 264 H 0.25 0.14 -0.08 -0.55 8.41 8.18 3hi6A1 HIS 264 HA 0.05 0.20 0.84 -0.75 4.63 4.97 3hi6A1 HIS 264 HB2 0.08 0.18 0.07 -0.04 3.26 3.55 3hi6A1 HIS 264 HB3 0.05 -0.06 0.17 -0.04 3.20 3.32 3hi6A1 HIS 264 HD2 0.06 -0.09 0.03 -0.04 6.97 6.92 3hi6A1 HIS 264 HE1 0.03 0.03 -0.01 -0.04 7.75 7.74 3hi6A1 PHE 265 H 0.25 0.14 -0.35 -0.55 8.34 7.83 3hi6A1 PHE 265 HA 0.09 0.13 -0.02 -0.75 4.62 4.07 3hi6A1 PHE 265 HB2 0.07 0.17 -0.08 -0.04 3.15 3.27 3hi6A1 PHE 265 HB3 0.04 0.01 -0.05 -0.04 3.06 3.03 3hi6A1 PHE 265 HD2 0.06 -0.06 -0.20 -0.04 7.28 7.04 3hi6A1 PHE 265 HE2 0.06 0.03 -0.16 -0.04 7.38 7.26 3hi6A1 PHE 265 HZ 0.05 0.08 -0.15 -0.04 7.32 7.25 3hi6A1 GLN 266 H 0.07 0.14 -0.18 -0.55 8.47 7.96 3hi6A1 GLN 266 HA -0.27 0.16 0.85 -0.75 4.36 4.34 3hi6A1 GLN 266 HB2 0.02 -0.01 0.08 -0.04 2.15 2.19 3hi6A1 GLN 266 HB3 -0.06 0.03 -0.02 -0.04 2.02 1.93 3hi6A1 GLN 266 HG2 -0.48 0.07 -0.16 -0.04 2.40 1.80 3hi6A1 GLN 266 HG3 -0.16 -0.06 -0.24 -0.04 2.39 1.88 3hi6A1 GLN 266 HE21 0.06 0.05 -0.08 -0.04 6.97 6.97 3hi6A1 GLN 266 HE22 0.07 -0.04 -0.06 -0.04 7.69 7.62 3hi6A1 THR 267 H -0.08 0.20 0.00 -0.55 8.28 7.86 3hi6A1 THR 267 HA -0.01 0.28 0.80 -0.75 4.39 4.71 3hi6A1 THR 267 HB 0.01 -0.03 0.15 -0.04 4.32 4.41 3hi6A1 THR 267 HG23 0.04 0.05 -0.29 -0.04 1.22 0.99 3hi6A1 LYS 268 H -0.01 0.23 0.14 -0.55 8.42 8.24 3hi6A1 LYS 268 HA -0.02 0.11 0.49 -0.75 4.32 4.15 3hi6A1 LYS 268 HB2 -0.00 0.03 0.19 -0.04 1.87 2.05 3hi6A1 LYS 268 HB3 -0.00 0.01 0.08 -0.04 1.79 1.83 3hi6A1 LYS 268 HG2 -0.01 0.01 0.04 -0.04 1.46 1.46 3hi6A1 LYS 268 HG3 -0.01 0.03 0.07 -0.04 1.46 1.51 3hi6A1 LYS 268 HD2 -0.00 0.00 -0.02 -0.04 1.69 1.63 3hi6A1 LYS 268 HD3 -0.01 0.04 0.01 -0.04 1.68 1.68 3hi6A1 LYS 268 HE2 -0.00 0.01 0.04 -0.04 2.99 3.00 3hi6A1 LYS 268 HE3 0.00 -0.04 0.04 -0.04 2.99 2.95 3hi6A1 GLU 269 H 0.00 0.08 -0.17 -0.55 8.60 7.97 3hi6A1 GLU 269 HA -0.01 0.14 0.34 -0.75 4.29 4.00 3hi6A1 GLU 269 HB2 0.02 -0.01 0.04 -0.04 2.09 2.10 3hi6A1 GLU 269 HB3 0.01 0.04 0.02 -0.04 1.99 2.02 3hi6A1 GLU 269 HG2 0.02 0.06 0.02 -0.04 2.34 2.40 3hi6A1 GLU 269 HG3 0.01 0.04 0.01 -0.04 2.34 2.36 3hi6A1 SER 270 H -0.03 0.13 -0.28 -0.55 8.46 7.74 3hi6A1 SER 270 HA -0.03 0.11 0.75 -0.75 4.49 4.56 3hi6A1 SER 270 HB2 -0.09 -0.01 0.08 -0.04 3.95 3.88 3hi6A1 SER 270 HB3 -0.02 -0.01 0.09 -0.04 3.93 3.94 3hi6A1 GLN 271 H -0.05 0.35 -0.18 -0.55 8.47 8.03 3hi6A1 GLN 271 HA -0.08 0.05 0.19 -0.75 4.36 3.76 3hi6A1 GLN 271 HB2 -0.05 0.11 0.10 -0.04 2.15 2.27 3hi6A1 GLN 271 HB3 -0.05 0.04 0.11 -0.04 2.02 2.08 3hi6A1 GLN 271 HG2 -0.05 -0.00 -0.19 -0.04 2.40 2.11 3hi6A1 GLN 271 HG3 -0.03 -0.01 -0.00 -0.04 2.39 2.30 3hi6A1 GLN 271 HE21 -0.02 0.01 -0.04 -0.04 6.97 6.88 3hi6A1 GLN 271 HE22 -0.02 -0.00 -0.04 -0.04 7.69 7.58 3hi6A1 GLU 272 H -0.05 0.19 -0.12 -0.55 8.60 8.07 3hi6A1 GLU 272 HA -0.04 0.12 0.48 -0.75 4.29 4.09 3hi6A1 GLU 272 HB2 -0.04 0.02 0.07 -0.04 2.09 2.10 3hi6A1 GLU 272 HB3 -0.03 0.03 0.00 -0.04 1.99 1.96 3hi6A1 GLU 272 HG2 -0.08 0.02 0.02 -0.04 2.34 2.27 3hi6A1 GLU 272 HG3 -0.05 0.00 0.04 -0.04 2.34 2.29 3hi6A1 THR 273 H -0.09 0.15 -0.21 -0.55 8.28 7.58 3hi6A1 THR 273 HA -0.22 0.09 0.49 -0.75 4.39 4.00 3hi6A1 THR 273 HB -0.18 0.10 0.12 -0.04 4.32 4.32 3hi6A1 THR 273 HG23 -0.60 -0.04 -0.03 -0.04 1.22 0.51 3hi6A1 LEU 274 H -0.16 0.52 -0.05 -0.55 8.37 8.14 3hi6A1 LEU 274 HA -0.09 0.04 0.43 -0.75 4.35 3.98 3hi6A1 LEU 274 HB2 -0.10 0.07 0.02 -0.04 1.64 1.59 3hi6A1 LEU 274 HB3 -0.03 0.00 -0.02 -0.04 1.64 1.55 3hi6A1 LEU 274 HG -0.15 0.15 0.04 -0.04 1.64 1.64 3hi6A1 LEU 274 HD13 -0.61 0.03 -0.07 -0.04 0.93 0.23 3hi6A1 LEU 274 HD23 0.11 -0.02 -0.10 -0.04 0.89 0.84 3hi6A1 HIS 275 H 0.02 0.35 -0.26 -0.55 8.41 7.98 3hi6A1 HIS 275 HA -0.02 0.03 0.50 -0.75 4.63 4.39 3hi6A1 HIS 275 HB2 -0.04 0.05 0.14 -0.04 3.26 3.37 3hi6A1 HIS 275 HB3 -0.05 0.06 0.14 -0.04 3.20 3.30 3hi6A1 HIS 275 HD2 -0.01 0.04 -0.21 -0.04 6.97 6.74 3hi6A1 HIS 275 HE1 0.01 -0.06 0.03 -0.04 7.75 7.69 3hi6A1 LYS 276 H -0.02 0.35 -0.21 -0.55 8.42 7.98 3hi6A1 LYS 276 HA 0.04 0.02 0.48 -0.75 4.32 4.11 3hi6A1 LYS 276 HB2 -0.01 0.12 0.22 -0.04 1.87 2.16 3hi6A1 LYS 276 HB3 -0.22 0.07 0.12 -0.04 1.79 1.72 3hi6A1 LYS 276 HG2 0.17 -0.04 -0.06 -0.04 1.46 1.49 3hi6A1 LYS 276 HG3 0.09 -0.01 0.07 -0.04 1.46 1.57 3hi6A1 LYS 276 HD2 0.37 -0.06 0.02 -0.04 1.69 1.99 3hi6A1 LYS 276 HD3 0.22 -0.01 0.05 -0.04 1.68 1.90 3hi6A1 LYS 276 HE2 0.06 0.03 0.03 -0.04 2.99 3.06 3hi6A1 LYS 276 HE3 0.05 0.01 -0.03 -0.04 2.99 2.98 3hi6A1 PHE 277 H -0.17 0.34 -0.20 -0.55 8.34 7.76 3hi6A1 PHE 277 HA -0.15 -0.02 0.35 -0.75 4.62 4.04 3hi6A1 PHE 277 HB2 -0.08 0.04 0.07 -0.04 3.15 3.14 3hi6A1 PHE 277 HB3 -0.11 -0.04 -0.10 -0.04 3.06 2.77 3hi6A1 PHE 277 HD2 -0.22 0.03 -0.16 -0.04 7.28 6.89 3hi6A1 PHE 277 HE2 -1.26 -0.06 -0.14 -0.04 7.38 5.88 3hi6A1 PHE 277 HZ -0.74 -0.19 -0.13 -0.04 7.32 6.21 3hi6A1 ALA 278 H -0.00 0.30 -0.26 -0.55 8.40 7.89 3hi6A1 ALA 278 HA -0.06 0.05 0.28 -0.75 4.34 3.86 3hi6A1 ALA 278 HB3 -0.01 -0.04 0.09 -0.04 1.41 1.40 3hi6A1 SER 279 H -0.48 0.48 0.32 -0.55 8.46 8.23 3hi6A1 SER 279 HA -0.33 0.11 0.66 -0.75 4.49 4.17 3hi6A1 SER 279 HB2 -2.33 0.06 0.12 -0.04 3.95 1.75 3hi6A1 SER 279 HB3 -1.22 0.05 0.05 -0.04 3.93 2.77 3hi6A1 LYS 280 H -0.11 0.16 0.13 -0.55 8.42 8.05 3hi6A1 LYS 280 HA 0.00 -0.05 0.50 -0.75 4.32 4.02 3hi6A1 LYS 280 HB2 0.02 0.02 0.07 -0.04 1.87 1.94 3hi6A1 LYS 280 HB3 0.02 -0.08 0.06 -0.04 1.79 1.74 3hi6A1 LYS 280 HG2 -0.08 0.08 -0.01 -0.04 1.46 1.41 3hi6A1 LYS 280 HG3 -0.03 -0.04 0.00 -0.04 1.46 1.34 3hi6A1 LYS 280 HD2 -0.23 -0.24 -0.00 -0.04 1.69 1.18 3hi6A1 LYS 280 HD3 -0.22 0.18 -0.47 -0.04 1.68 1.13 3hi6A1 LYS 280 HE2 -0.08 -0.14 -0.02 -0.04 2.99 2.70 3hi6A1 LYS 280 HE3 -0.71 -0.08 -0.02 -0.04 2.99 2.14 3hi6A1 PRO 281 HA 0.05 0.02 0.43 -0.51 4.44 4.43 3hi6A1 PRO 281 HB2 0.07 -0.09 0.01 -0.04 2.28 2.22 3hi6A1 PRO 281 HB3 0.07 0.04 0.12 -0.04 2.02 2.20 3hi6A1 PRO 281 HG2 0.08 0.02 0.10 -0.04 2.03 2.19 3hi6A1 PRO 281 HG3 0.07 0.04 0.09 -0.04 2.03 2.20 3hi6A1 PRO 281 HD2 0.22 0.25 0.52 -0.04 3.68 4.63 3hi6A1 PRO 281 HD3 0.12 0.08 -0.01 -0.04 3.65 3.80 3hi6A1 ALA 282 H -0.04 0.12 0.17 -0.55 8.40 8.11 3hi6A1 ALA 282 HA 0.05 0.40 0.38 -0.75 4.34 4.42 3hi6A1 ALA 282 HB3 -0.13 0.03 0.10 -0.04 1.41 1.37 3hi6A1 SER 283 H 0.05 0.03 -0.21 -0.55 8.46 7.80 3hi6A1 SER 283 HA 0.04 0.05 0.43 -0.75 4.49 4.26 3hi6A1 SER 283 HB2 0.02 0.04 0.06 -0.04 3.95 4.03 3hi6A1 SER 283 HB3 0.04 -0.04 0.08 -0.04 3.93 3.97 3hi6A1 GLU 284 H 0.00 0.48 -0.43 -0.55 8.60 8.10 3hi6A1 GLU 284 HA -0.13 0.12 0.71 -0.75 4.29 4.23 3hi6A1 GLU 284 HB2 -0.34 0.19 -0.05 -0.04 2.09 1.85 3hi6A1 GLU 284 HB3 -0.45 -0.00 0.05 -0.04 1.99 1.54 3hi6A1 GLU 284 HG2 -0.02 -0.12 -0.09 -0.04 2.34 2.06 3hi6A1 GLU 284 HG3 -0.05 0.04 -0.02 -0.04 2.34 2.27 3hi6A1 PHE 285 H 0.04 0.36 -0.05 -0.55 8.34 8.14 3hi6A1 PHE 285 HA -0.16 0.20 0.95 -0.75 4.62 4.86 3hi6A1 PHE 285 HB2 -0.18 0.11 0.12 -0.04 3.15 3.16 3hi6A1 PHE 285 HB3 -0.30 0.03 0.30 -0.04 3.06 3.04 3hi6A1 PHE 285 HD2 -0.93 0.07 -0.28 -0.04 7.28 6.10 3hi6A1 PHE 285 HE2 -0.55 0.07 -0.27 -0.04 7.38 6.60 3hi6A1 PHE 285 HZ -1.32 0.00 -0.17 -0.04 7.32 5.79 3hi6A1 VAL 286 H 0.07 0.37 0.15 -0.55 8.24 8.28 3hi6A1 VAL 286 HA 0.15 0.13 0.99 -0.75 4.13 4.65 3hi6A1 VAL 286 HB 0.08 -0.00 0.11 -0.04 2.12 2.27 3hi6A1 VAL 286 HG13 0.21 -0.03 -0.12 -0.04 0.97 0.98 3hi6A1 VAL 286 HG23 0.08 0.02 0.00 -0.04 0.95 1.01 3hi6A1 LYS 287 H 0.07 0.88 0.45 -0.55 8.42 9.26 3hi6A1 LYS 287 HA 0.02 0.16 0.84 -0.75 4.32 4.59 3hi6A1 LYS 287 HB2 -0.37 -0.02 -0.08 -0.04 1.87 1.36 3hi6A1 LYS 287 HB3 -0.23 -0.11 0.02 -0.04 1.79 1.42 3hi6A1 LYS 287 HG2 -0.07 0.04 -0.69 -0.04 1.46 0.71 3hi6A1 LYS 287 HG3 -0.57 0.01 -0.19 -0.04 1.46 0.66 3hi6A1 LYS 287 HD2 0.03 -0.10 -0.08 -0.04 1.69 1.49 3hi6A1 LYS 287 HD3 0.00 0.16 -0.16 -0.04 1.68 1.64 3hi6A1 LYS 287 HE2 0.04 -0.05 -0.10 -0.04 2.99 2.83 3hi6A1 LYS 287 HE3 -0.02 0.11 -0.42 -0.04 2.99 2.62 3hi6A1 ILE 288 H 0.01 0.23 0.16 -0.55 8.25 8.10 3hi6A1 ILE 288 HA -0.17 0.15 0.94 -0.75 4.18 4.34 3hi6A1 ILE 288 HB 0.03 -0.04 0.18 -0.04 1.89 2.02 3hi6A1 ILE 288 HG12 0.08 0.04 -0.10 -0.04 1.49 1.47 3hi6A1 ILE 288 HG13 0.08 0.04 -0.03 -0.04 1.21 1.26 3hi6A1 ILE 288 HG23 -0.02 -0.03 -0.03 -0.04 0.93 0.81 3hi6A1 ILE 288 HD13 0.19 0.05 -0.19 -0.04 0.88 0.89 3hi6A1 LEU 289 H -0.23 0.82 0.28 -0.55 8.37 8.69 3hi6A1 LEU 289 HA -0.18 0.05 0.18 -0.75 4.35 3.65 3hi6A1 LEU 289 HB2 -0.34 0.08 -0.08 -0.04 1.64 1.25 3hi6A1 LEU 289 HB3 -0.22 -0.04 0.11 -0.04 1.64 1.45 3hi6A1 LEU 289 HG -0.93 0.01 -0.04 -0.04 1.64 0.63 3hi6A1 LEU 289 HD13 -0.38 0.01 -0.13 -0.04 0.93 0.39 3hi6A1 LEU 289 HD23 -0.14 -0.00 -0.32 -0.04 0.89 0.39 3hi6A1 ASP 290 H -0.07 0.09 -0.11 -0.55 8.40 7.76 3hi6A1 ASP 290 HA -0.02 0.11 0.40 -0.75 4.63 4.37 3hi6A1 ASP 290 HB2 -0.03 -0.02 0.08 -0.04 2.71 2.70 3hi6A1 ASP 290 HB3 -0.01 -0.05 0.03 -0.04 2.70 2.63 3hi6A1 THR 291 H 0.02 0.09 -0.22 -0.55 8.28 7.62 3hi6A1 THR 291 HA 0.04 0.11 0.65 -0.75 4.39 4.44 3hi6A1 THR 291 HB 0.08 0.05 0.19 -0.04 4.32 4.60 3hi6A1 THR 291 HG23 0.08 0.01 -0.10 -0.04 1.22 1.17 3hi6A1 PHE 292 H 0.17 0.61 0.06 -0.55 8.34 8.63 3hi6A1 PHE 292 HA 0.03 0.03 0.25 -0.75 4.62 4.18 3hi6A1 PHE 292 HB2 -0.02 -0.06 -0.04 -0.04 3.15 3.00 3hi6A1 PHE 292 HB3 -0.05 0.01 -0.05 -0.04 3.06 2.93 3hi6A1 PHE 292 HD2 0.12 -0.03 -0.10 -0.04 7.28 7.23 3hi6A1 PHE 292 HE2 0.07 0.03 -0.09 -0.04 7.38 7.35 3hi6A1 PHE 292 HZ -0.13 0.07 -0.07 -0.04 7.32 7.14 3hi6A1 GLU 293 H 0.10 0.58 -0.20 -0.55 8.60 8.53 3hi6A1 GLU 293 HA 0.19 0.06 0.33 -0.75 4.29 4.12 3hi6A1 GLU 293 HB2 0.20 -0.03 0.07 -0.04 2.09 2.29 3hi6A1 GLU 293 HB3 0.19 -0.01 0.07 -0.04 1.99 2.19 3hi6A1 GLU 293 HG2 0.03 0.13 -0.00 -0.04 2.34 2.46 3hi6A1 GLU 293 HG3 0.03 0.01 -0.27 -0.04 2.34 2.07 3hi6A1 LYS 294 H 0.01 0.35 -0.50 -0.55 8.42 7.72 3hi6A1 LYS 294 HA -0.02 0.12 0.60 -0.75 4.32 4.27 3hi6A1 LYS 294 HB2 0.00 0.13 0.08 -0.04 1.87 2.04 3hi6A1 LYS 294 HB3 -0.01 -0.08 0.12 -0.04 1.79 1.78 3hi6A1 LYS 294 HG2 -0.00 -0.05 -0.01 -0.04 1.46 1.36 3hi6A1 LYS 294 HG3 0.01 -0.02 -0.08 -0.04 1.46 1.33 3hi6A1 LYS 294 HD2 0.01 0.02 0.07 -0.04 1.69 1.75 3hi6A1 LYS 294 HD3 0.01 0.01 0.13 -0.04 1.68 1.79 3hi6A1 LYS 294 HE2 0.00 -0.02 0.02 -0.04 2.99 2.95 3hi6A1 LYS 294 HE3 -0.00 -0.02 0.02 -0.04 2.99 2.95 3hi6A1 LEU 295 H -0.12 0.41 -0.26 -0.55 8.37 7.86 3hi6A1 LEU 295 HA -0.06 0.02 0.53 -0.75 4.35 4.09 3hi6A1 LEU 295 HB2 -0.29 0.10 0.10 -0.04 1.64 1.50 3hi6A1 LEU 295 HB3 -0.11 -0.15 -0.06 -0.04 1.64 1.28 3hi6A1 LEU 295 HG -0.09 0.12 0.03 -0.04 1.64 1.66 3hi6A1 LEU 295 HD13 -0.07 -0.00 -0.05 -0.04 0.93 0.77 3hi6A1 LEU 295 HD23 -0.00 -0.01 -0.08 -0.04 0.89 0.76 3hi6A1 LYS 296 H -0.05 0.18 0.22 -0.55 8.42 8.23 3hi6A1 LYS 296 HA -0.06 0.19 0.63 -0.75 4.32 4.33 3hi6A1 LYS 296 HB2 -0.03 -0.04 0.14 -0.04 1.87 1.90 3hi6A1 LYS 296 HB3 -0.03 0.02 0.09 -0.04 1.79 1.83 3hi6A1 LYS 296 HG2 -0.04 0.06 0.01 -0.04 1.46 1.45 3hi6A1 LYS 296 HG3 -0.03 0.06 0.09 -0.04 1.46 1.53 3hi6A1 LYS 296 HD2 -0.02 -0.03 0.04 -0.04 1.69 1.64 3hi6A1 LYS 296 HD3 -0.02 0.01 0.04 -0.04 1.68 1.66 3hi6A1 LYS 296 HE2 -0.02 0.02 0.02 -0.04 2.99 2.96 3hi6A1 LYS 296 HE3 -0.02 0.02 0.03 -0.04 2.99 2.98 3hi6A1 ASP 297 H -0.05 0.08 -0.11 -0.55 8.40 7.77 3hi6A1 ASP 297 HA -0.02 0.15 0.55 -0.75 4.63 4.55 3hi6A1 ASP 297 HB2 0.00 0.01 0.15 -0.04 2.71 2.84 3hi6A1 ASP 297 HB3 -0.01 0.03 0.07 -0.04 2.70 2.75 3hi6A1 LEU 298 H -0.11 0.33 -0.91 -0.55 8.37 7.14 3hi6A1 LEU 298 HA -0.19 0.03 0.30 -0.75 4.35 3.73 3hi6A1 LEU 298 HB2 -0.32 0.15 0.06 -0.04 1.64 1.49 3hi6A1 LEU 298 HB3 -0.17 0.05 0.04 -0.04 1.64 1.52 3hi6A1 LEU 298 HG -0.15 0.01 -0.24 -0.04 1.64 1.22 3hi6A1 LEU 298 HD13 -0.32 -0.03 -0.04 -0.04 0.93 0.50 3hi6A1 LEU 298 HD23 -0.23 0.02 -0.06 -0.04 0.89 0.58 3hi6A1 CYS 299 H -0.07 0.22 -0.13 -0.55 8.50 7.96 3hi6A1 CYS 299 HA -0.07 0.10 0.37 -0.75 4.58 4.22 3hi6A1 CYS 299 HB2 -0.01 -0.01 -0.01 -0.04 2.97 2.90 3hi6A1 CYS 299 HB3 -0.04 0.05 0.01 -0.04 2.97 2.94 3hi6A1 THR 300 H 0.02 0.06 -0.40 -0.55 8.28 7.42 3hi6A1 THR 300 HA 0.09 0.10 0.46 -0.75 4.39 4.28 3hi6A1 THR 300 HB 0.04 0.12 0.09 -0.04 4.32 4.52 3hi6A1 THR 300 HG23 0.05 -0.00 -0.05 -0.04 1.22 1.17 3hi6A1 GLU 301 H 0.05 0.37 -0.12 -0.55 8.60 8.36 3hi6A1 GLU 301 HA 0.10 0.03 0.31 -0.75 4.29 3.97 3hi6A1 GLU 301 HB2 0.08 -0.02 0.07 -0.04 2.09 2.18 3hi6A1 GLU 301 HB3 0.12 0.05 0.04 -0.04 1.99 2.16 3hi6A1 GLU 301 HG2 0.16 0.05 -0.02 -0.04 2.34 2.49 3hi6A1 GLU 301 HG3 0.10 -0.05 0.01 -0.04 2.34 2.36 3hi6A1 LEU 302 H 0.10 0.37 -0.14 -0.55 8.37 8.15 3hi6A1 LEU 302 HA 0.08 0.05 0.30 -0.75 4.35 4.03 3hi6A1 LEU 302 HB2 0.22 0.06 -0.01 -0.04 1.64 1.87 3hi6A1 LEU 302 HB3 0.15 -0.02 -0.04 -0.04 1.64 1.69 3hi6A1 LEU 302 HG 0.06 0.11 0.04 -0.04 1.64 1.80 3hi6A1 LEU 302 HD13 0.09 -0.03 -0.12 -0.04 0.93 0.83 3hi6A1 LEU 302 HD23 -0.37 -0.02 -0.08 -0.04 0.89 0.38 3hi6A1 GLN 303 H 0.18 0.20 -0.49 -0.55 8.47 7.82 3hi6A1 GLN 303 HA 0.00 0.06 0.47 -0.75 4.36 4.14 3hi6A1 GLN 303 HB2 0.11 0.14 0.10 -0.04 2.15 2.46 3hi6A1 GLN 303 HB3 0.04 -0.09 -0.11 -0.04 2.02 1.82 3hi6A1 GLN 303 HG2 -0.15 0.12 -0.00 -0.04 2.40 2.32 3hi6A1 GLN 303 HG3 0.04 -0.02 0.00 -0.04 2.39 2.37 3hi6A1 GLN 303 HE21 0.02 -0.14 -0.01 -0.04 6.97 6.79 3hi6A1 GLN 303 HE22 -0.10 0.42 0.06 -0.04 7.69 8.04 3hi6A1 LYS 304 H 0.13 0.33 -0.32 -0.55 8.42 8.01 3hi6A1 LYS 304 HA 0.10 -0.14 0.27 -0.75 4.32 3.79 3hi6A1 LYS 304 HB2 0.12 -0.11 0.11 -0.04 1.87 1.95 3hi6A1 LYS 304 HB3 0.12 0.05 0.18 -0.04 1.79 2.11 3hi6A1 LYS 304 HG2 0.22 0.16 0.03 -0.04 1.46 1.83 3hi6A1 LYS 304 HG3 0.22 -0.05 -0.29 -0.04 1.46 1.30 3hi6A1 LYS 304 HD2 0.12 0.07 -0.01 -0.04 1.69 1.83 3hi6A1 LYS 304 HD3 0.09 -0.08 0.03 -0.04 1.68 1.68 3hi6A1 LYS 304 HE2 -0.09 -0.02 -0.10 -0.04 2.99 2.74 3hi6A1 LYS 304 HE3 -0.19 -0.06 -0.04 -0.04 2.99 2.66 3hi6A1 LYS 305 H 0.10 -0.05 0.21 -0.55 8.42 8.13 3hi6A1 LYS 305 HA 0.19 0.26 0.90 -0.75 4.32 4.92 3hi6A1 LYS 305 HB2 0.05 -0.06 0.14 -0.04 1.87 1.96 3hi6A1 LYS 305 HB3 0.05 0.18 0.04 -0.04 1.79 2.02 3hi6A1 LYS 305 HG2 0.05 -0.08 0.10 -0.04 1.46 1.49 3hi6A1 LYS 305 HG3 0.03 -0.07 -0.07 -0.04 1.46 1.30 3hi6A1 LYS 305 HD2 0.01 0.13 0.01 -0.04 1.69 1.79 3hi6A1 LYS 305 HD3 0.01 -0.07 0.00 -0.04 1.68 1.58 3hi6A1 LYS 305 HE2 -0.00 -0.06 0.00 -0.04 2.99 2.89 3hi6A1 LYS 305 HE3 -0.00 0.07 0.01 -0.04 2.99 3.02 3hi6A1 ILE 306 H 0.13 0.03 0.11 -0.55 8.25 7.96 3hi6A1 ILE 306 HA -0.05 0.18 0.96 -0.75 4.18 4.52 3hi6A1 ILE 306 HB -0.02 -0.03 0.08 -0.04 1.89 1.89 3hi6A1 ILE 306 HG12 0.03 -0.01 -0.01 -0.04 1.49 1.46 3hi6A1 ILE 306 HG13 0.07 -0.01 0.05 -0.04 1.21 1.28 3hi6A1 ILE 306 HG23 0.01 0.01 -0.06 -0.04 0.93 0.85 3hi6A1 ILE 306 HD13 0.04 0.01 -0.31 -0.04 0.88 0.58 3hi6A1 TYR 307 H -0.23 0.09 0.03 -0.55 8.29 7.62 3hi6A1 TYR 307 HA 0.04 0.06 0.25 -0.75 4.56 4.16 3hi6A1 TYR 307 HB2 0.14 0.00 -0.00 -0.04 3.06 3.15 3hi6A1 TYR 307 HB3 0.11 0.21 -0.17 -0.04 2.98 3.10 3hi6A1 TYR 307 HD2 0.16 0.05 -0.39 -0.04 7.15 6.93 3hi6A1 TYR 307 HE2 -0.03 0.04 -0.04 -0.04 6.85 6.78