============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. PHE 3 1.000 0.623 -25.528 -19.206 -99.200 -91.000 PHE 16 1.000 -11.175 -20.699 -15.866 -99.200 -91.000 PHE 18 1.000 -15.788 -17.881 -11.046 -99.200 -91.000 PHE 23 1.000 -22.860 -16.010 -3.215 -99.200 -91.000 TYR 28 0.840 -18.918 -16.198 -14.355 -99.200 -91.000 TYR 37 0.840 -11.544 -10.612 -0.541 -99.200 -91.000 TYR 40 0.840 -11.656 -17.067 -2.124 -99.200 -91.000 TYR 41 0.840 -16.350 -19.039 3.833 -99.200 -91.000 HIS 49 0.900 -16.821 -24.647 -19.989 -99.200 -91.000 TYR 51 0.840 -6.711 -25.321 -24.666 -99.200 -91.000 PHE 62 1.000 -12.777 -16.161 -7.241 -99.200 -91.000 TYR 64 0.840 -12.107 -6.980 -2.912 -99.200 -91.000 PHE 69 1.000 -15.917 -2.211 0.021 -99.200 -91.000 TYR 92 0.840 4.553 -24.212 -15.637 -99.200 -91.000 TYR 93 0.840 1.225 -21.500 -7.926 -99.200 -91.000 PHE 101 1.000 -16.599 -11.666 -11.813 -99.200 -91.000 TYR 106 0.840 -22.949 6.490 -5.848 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3k63A1 GLU 133 HA 0.02 -0.08 0.19 -0.75 4.29 3.66 3k63A1 GLU 133 HB2 0.07 -0.04 0.03 -0.04 2.09 2.11 3k63A1 GLU 133 HB3 -0.00 0.04 -0.08 -0.04 1.99 1.91 3k63A1 GLU 133 HG2 0.03 -0.01 0.03 -0.04 2.34 2.35 3k63A1 GLU 133 HG3 0.06 0.01 0.02 -0.04 2.34 2.39 3k63A1 ASP 134 H -0.00 0.08 0.07 -0.55 8.40 8.00 3k63A1 ASP 134 HA 0.03 0.07 0.55 -0.75 4.63 4.53 3k63A1 ASP 134 HB2 -0.02 0.00 0.07 -0.04 2.71 2.73 3k63A1 ASP 134 HB3 -0.00 -0.09 -0.03 -0.04 2.70 2.54 3k63A1 PHE 135 H 0.14 0.16 0.21 -0.55 8.34 8.30 3k63A1 PHE 135 HA -0.13 0.15 0.39 -0.75 4.62 4.27 3k63A1 PHE 135 HB2 -0.05 0.06 0.18 -0.04 3.15 3.30 3k63A1 PHE 135 HB3 -0.09 -0.04 0.17 -0.04 3.06 3.05 3k63A1 PHE 135 HD2 -0.19 0.03 -0.09 -0.04 7.28 6.99 3k63A1 PHE 135 HE2 -0.29 0.05 -0.13 -0.04 7.38 6.96 3k63A1 PHE 135 HZ -0.04 0.09 -0.22 -0.04 7.32 7.11 3k63A1 LYS 136 H 0.04 0.12 -0.02 -0.55 8.42 8.01 3k63A1 LYS 136 HA -0.23 0.08 0.34 -0.75 4.32 3.77 3k63A1 LYS 136 HB2 -0.03 -0.02 0.02 -0.04 1.87 1.80 3k63A1 LYS 136 HB3 -0.07 0.07 0.09 -0.04 1.79 1.84 3k63A1 LYS 136 HG2 -0.07 0.06 0.04 -0.04 1.46 1.45 3k63A1 LYS 136 HG3 0.03 -0.09 0.07 -0.04 1.46 1.43 3k63A1 LYS 136 HD2 -0.02 0.03 0.02 -0.04 1.69 1.68 3k63A1 LYS 136 HD3 -0.01 0.04 0.02 -0.04 1.68 1.69 3k63A1 LYS 136 HE2 0.03 -0.04 0.04 -0.04 2.99 2.98 3k63A1 LYS 136 HE3 0.01 -0.02 0.02 -0.04 2.99 2.96 3k63A1 LYS 137 H -0.17 0.19 -1.01 -0.55 8.42 6.88 3k63A1 LYS 137 HA -0.12 0.20 0.84 -0.75 4.32 4.49 3k63A1 LYS 137 HB2 -0.08 0.03 -0.02 -0.04 1.87 1.76 3k63A1 LYS 137 HB3 -0.08 0.03 -0.06 -0.04 1.79 1.64 3k63A1 LYS 137 HG2 -0.05 0.04 0.01 -0.04 1.46 1.42 3k63A1 LYS 137 HG3 -0.05 -0.05 -0.16 -0.04 1.46 1.16 3k63A1 LYS 137 HD2 -0.03 -0.06 -0.02 -0.04 1.69 1.54 3k63A1 LYS 137 HD3 -0.02 0.03 -0.02 -0.04 1.68 1.62 3k63A1 LYS 137 HE2 -0.02 -0.01 -0.04 -0.04 2.99 2.88 3k63A1 LYS 137 HE3 -0.01 -0.00 -0.02 -0.04 2.99 2.92 3k63A1 ILE 138 H -0.36 0.34 0.10 -0.55 8.25 7.79 3k63A1 ILE 138 HA -0.38 0.22 0.80 -0.75 4.18 4.06 3k63A1 ILE 138 HB -1.54 -0.02 0.02 -0.04 1.89 0.30 3k63A1 ILE 138 HG12 -0.40 0.06 0.16 -0.04 1.49 1.26 3k63A1 ILE 138 HG13 -0.67 0.02 -0.11 -0.04 1.21 0.41 3k63A1 ILE 138 HG23 -0.54 0.02 -0.09 -0.04 0.93 0.28 3k63A1 ILE 138 HD13 -0.22 -0.00 -0.11 -0.04 0.88 0.51 3k63A1 VAL 139 H -0.58 0.41 -0.02 -0.55 8.24 7.50 3k63A1 VAL 139 HA -0.40 0.09 0.39 -0.75 4.13 3.47 3k63A1 VAL 139 HB -0.32 0.04 -0.08 -0.04 2.12 1.71 3k63A1 VAL 139 HG13 -1.41 0.02 -0.09 -0.04 0.97 -0.55 3k63A1 VAL 139 HG23 -0.40 0.03 -0.07 -0.04 0.95 0.47 3k63A1 ASN 140 H -0.21 0.15 -0.39 -0.55 8.53 7.53 3k63A1 ASN 140 HA -0.08 0.11 0.43 -0.75 4.76 4.47 3k63A1 ASN 140 HB2 -0.10 0.06 -0.02 -0.04 2.88 2.77 3k63A1 ASN 140 HB3 -0.06 0.01 0.08 -0.04 2.79 2.79 3k63A1 ASN 140 HD21 -0.06 -0.03 0.01 -0.04 7.03 6.91 3k63A1 ASN 140 HD22 -0.07 0.05 0.04 -0.04 7.74 7.72 3k63A1 ASN 141 H -0.11 0.21 -1.08 -0.55 8.53 7.00 3k63A1 ASN 141 HA 0.02 0.21 0.83 -0.75 4.76 5.06 3k63A1 ASN 141 HB2 -0.03 0.05 -0.01 -0.04 2.88 2.85 3k63A1 ASN 141 HB3 0.14 -0.08 0.08 -0.04 2.79 2.89 3k63A1 ASN 141 HD21 -0.01 -0.05 -0.10 -0.04 7.03 6.83 3k63A1 ASN 141 HD22 -0.04 -0.08 -0.48 -0.04 7.74 7.09 3k63A1 ILE 142 H -0.01 0.34 -0.15 -0.55 8.25 7.88 3k63A1 ILE 142 HA 0.17 -0.02 0.53 -0.75 4.18 4.10 3k63A1 ILE 142 HB 0.04 0.07 0.11 -0.04 1.89 2.07 3k63A1 ILE 142 HG12 0.03 -0.02 -0.04 -0.04 1.49 1.41 3k63A1 ILE 142 HG13 -0.09 0.10 0.17 -0.04 1.21 1.34 3k63A1 ILE 142 HG23 0.17 -0.03 -0.19 -0.04 0.93 0.83 3k63A1 ILE 142 HD13 -0.09 -0.02 -0.06 -0.04 0.88 0.67 3k63A1 ARG 143 H 0.19 0.11 0.25 -0.55 8.46 8.46 3k63A1 ARG 143 HA 0.10 0.11 0.67 -0.75 4.34 4.46 3k63A1 ARG 143 HB2 0.07 0.07 -0.11 -0.04 1.90 1.88 3k63A1 ARG 143 HB3 0.03 0.07 -0.02 -0.04 1.80 1.84 3k63A1 ARG 143 HG2 0.03 -0.02 0.03 -0.04 1.67 1.66 3k63A1 ARG 143 HG3 0.05 0.14 0.08 -0.04 1.67 1.90 3k63A1 ARG 143 HD2 0.03 -0.03 -0.09 -0.04 3.22 3.10 3k63A1 ARG 143 HD3 0.02 -0.03 -0.04 -0.04 3.22 3.13 3k63A1 LEU 144 H -0.02 0.16 0.11 -0.55 8.37 8.07 3k63A1 LEU 144 HA -0.62 0.13 0.47 -0.75 4.35 3.58 3k63A1 LEU 144 HB2 -0.15 -0.01 0.10 -0.04 1.64 1.55 3k63A1 LEU 144 HB3 -0.17 0.04 0.06 -0.04 1.64 1.54 3k63A1 LEU 144 HG -0.34 0.01 0.08 -0.04 1.64 1.35 3k63A1 LEU 144 HD13 -0.53 0.03 -0.02 -0.04 0.93 0.37 3k63A1 LEU 144 HD23 -0.29 0.01 -0.02 -0.04 0.89 0.55 3k63A1 LYS 145 H -0.22 0.48 0.35 -0.55 8.42 8.48 3k63A1 LYS 145 HA 0.04 -0.01 0.35 -0.75 4.32 3.95 3k63A1 LYS 145 HB2 -0.04 0.21 -0.30 -0.04 1.87 1.69 3k63A1 LYS 145 HB3 0.00 0.00 0.14 -0.04 1.79 1.89 3k63A1 LYS 145 HG2 0.08 -0.01 0.09 -0.04 1.46 1.58 3k63A1 LYS 145 HG3 0.15 -0.07 0.01 -0.04 1.46 1.51 3k63A1 LYS 145 HD2 -0.01 0.03 0.01 -0.04 1.69 1.68 3k63A1 LYS 145 HD3 0.08 -0.05 0.03 -0.04 1.68 1.70 3k63A1 LYS 145 HE2 -0.16 -0.05 -0.02 -0.04 2.99 2.71 3k63A1 LYS 145 HE3 -0.11 0.03 -0.09 -0.04 2.99 2.78 3k63A1 ASP 146 H -0.01 0.21 -0.73 -0.55 8.40 7.32 3k63A1 ASP 146 HA 0.06 0.17 0.85 -0.75 4.63 4.95 3k63A1 ASP 146 HB2 0.03 0.03 -0.04 -0.04 2.71 2.68 3k63A1 ASP 146 HB3 0.06 0.01 0.20 -0.04 2.70 2.93 3k63A1 THR 147 H 0.12 0.35 0.28 -0.55 8.28 8.48 3k63A1 THR 147 HA 0.09 0.04 0.46 -0.75 4.39 4.23 3k63A1 THR 147 HB 0.42 -0.04 0.07 -0.04 4.32 4.72 3k63A1 THR 147 HG23 0.22 -0.01 -0.05 -0.04 1.22 1.34 3k63A1 PHE 148 H 0.07 0.21 -0.01 -0.55 8.34 8.06 3k63A1 PHE 148 HA -0.57 0.22 0.69 -0.75 4.62 4.21 3k63A1 PHE 148 HB2 -0.09 0.05 -0.04 -0.04 3.15 3.03 3k63A1 PHE 148 HB3 -0.05 0.04 -0.22 -0.04 3.06 2.78 3k63A1 PHE 148 HD2 0.07 -0.00 -0.27 -0.04 7.28 7.04 3k63A1 PHE 148 HE2 0.10 -0.00 -0.29 -0.04 7.38 7.15 3k63A1 PHE 148 HZ 0.07 0.03 -0.20 -0.04 7.32 7.17 3k63A1 ASP 149 H -0.08 0.54 0.30 -0.55 8.40 8.60 3k63A1 ASP 149 HA -0.15 0.04 0.79 -0.75 4.63 4.55 3k63A1 ASP 149 HB2 0.09 0.05 0.04 -0.04 2.71 2.85 3k63A1 ASP 149 HB3 0.04 0.09 0.09 -0.04 2.70 2.87 3k63A1 PHE 150 H -0.11 0.24 0.22 -0.55 8.34 8.13 3k63A1 PHE 150 HA 0.20 0.32 1.03 -0.75 4.62 5.42 3k63A1 PHE 150 HB2 0.27 0.03 -0.01 -0.04 3.15 3.40 3k63A1 PHE 150 HB3 0.31 -0.03 -0.16 -0.04 3.06 3.13 3k63A1 PHE 150 HD2 0.23 -0.02 -0.32 -0.04 7.28 7.13 3k63A1 PHE 150 HE2 0.17 0.00 -0.10 -0.04 7.38 7.40 3k63A1 PHE 150 HZ 0.33 0.02 -0.09 -0.04 7.32 7.54 3k63A1 LYS 151 H 0.36 0.62 0.34 -0.55 8.42 9.18 3k63A1 LYS 151 HA 0.18 0.14 0.73 -0.75 4.32 4.62 3k63A1 LYS 151 HB2 0.09 -0.03 -0.19 -0.04 1.87 1.70 3k63A1 LYS 151 HB3 0.12 -0.04 -0.04 -0.04 1.79 1.78 3k63A1 LYS 151 HG2 0.08 0.02 -0.01 -0.04 1.46 1.51 3k63A1 LYS 151 HG3 0.01 0.03 0.08 -0.04 1.46 1.54 3k63A1 LYS 151 HD2 0.00 0.14 0.06 -0.04 1.69 1.85 3k63A1 LYS 151 HD3 0.02 -0.09 -0.05 -0.04 1.68 1.52 3k63A1 LYS 151 HE2 0.05 -0.09 -0.08 -0.04 2.99 2.83 3k63A1 LYS 151 HE3 0.04 -0.00 0.06 -0.04 2.99 3.05 3k63A1 LEU 152 H 0.27 0.23 0.05 -0.55 8.37 8.37 3k63A1 LEU 152 HA 0.18 0.26 0.99 -0.75 4.35 5.03 3k63A1 LEU 152 HB2 0.30 0.02 0.09 -0.04 1.64 2.01 3k63A1 LEU 152 HB3 0.04 -0.14 -0.03 -0.04 1.64 1.47 3k63A1 LEU 152 HG 0.18 0.14 0.05 -0.04 1.64 1.97 3k63A1 LEU 152 HD13 0.34 -0.01 -0.18 -0.04 0.93 1.04 3k63A1 LEU 152 HD23 0.14 0.02 -0.12 -0.04 0.89 0.88 3k63A1 ALA 153 H 0.03 0.63 0.06 -0.55 8.40 8.56 3k63A1 ALA 153 HA -0.01 0.03 0.24 -0.75 4.34 3.85 3k63A1 ALA 153 HB3 -0.06 -0.01 -0.11 -0.04 1.41 1.19 3k63A1 ALA 154 H -0.21 -0.00 -0.58 -0.55 8.40 7.06 3k63A1 ALA 154 HA -0.30 0.15 0.60 -0.75 4.34 4.03 3k63A1 ALA 154 HB3 -0.71 -0.01 0.03 -0.04 1.41 0.68 3k63A1 PHE 155 H -0.08 0.29 -0.21 -0.55 8.34 7.78 3k63A1 PHE 155 HA 0.02 0.21 0.86 -0.75 4.62 4.95 3k63A1 PHE 155 HB2 0.06 -0.03 0.11 -0.04 3.15 3.25 3k63A1 PHE 155 HB3 0.03 -0.03 0.10 -0.04 3.06 3.12 3k63A1 PHE 155 HD2 0.04 0.02 -0.08 -0.04 7.28 7.22 3k63A1 PHE 155 HE2 0.03 0.03 -0.18 -0.04 7.38 7.22 3k63A1 PHE 155 HZ 0.03 -0.00 -0.09 -0.04 7.32 7.22 3k63A1 PRO 156 HA 0.06 0.02 0.29 -0.51 4.44 4.31 3k63A1 PRO 156 HB2 0.03 0.00 -0.06 -0.04 2.28 2.21 3k63A1 PRO 156 HB3 0.03 0.04 0.02 -0.04 2.02 2.06 3k63A1 PRO 156 HG2 0.04 -0.07 -0.03 -0.04 2.03 1.93 3k63A1 PRO 156 HG3 0.01 0.07 -0.02 -0.04 2.03 2.05 3k63A1 PRO 156 HD2 0.03 0.21 -0.34 -0.04 3.68 3.54 3k63A1 PRO 156 HD3 -0.01 0.32 -0.29 -0.04 3.65 3.62 3k63A1 ASN 157 H 0.07 0.08 -0.36 -0.55 8.53 7.79 3k63A1 ASN 157 HA 0.01 0.27 1.02 -0.75 4.76 5.31 3k63A1 ASN 157 HB2 0.03 -0.00 0.09 -0.04 2.88 2.95 3k63A1 ASN 157 HB3 0.01 -0.01 0.13 -0.04 2.79 2.88 3k63A1 ASN 157 HD21 0.01 -0.00 -0.12 -0.04 7.03 6.88 3k63A1 ASN 157 HD22 0.01 0.05 -0.12 -0.04 7.74 7.64 3k63A1 GLN 158 H 0.05 0.50 -0.15 -0.55 8.47 8.33 3k63A1 GLN 158 HA -0.02 0.13 1.01 -0.75 4.36 4.73 3k63A1 GLN 158 HB2 0.04 0.03 0.04 -0.04 2.15 2.23 3k63A1 GLN 158 HB3 -0.03 0.02 -0.05 -0.04 2.02 1.92 3k63A1 GLN 158 HG2 0.00 0.06 -0.10 -0.04 2.40 2.32 3k63A1 GLN 158 HG3 0.07 -0.11 -0.34 -0.04 2.39 1.97 3k63A1 GLN 158 HE21 -0.05 -0.01 -0.03 -0.04 6.97 6.84 3k63A1 GLN 158 HE22 0.22 -0.03 -0.04 -0.04 7.69 7.79 3k63A1 ASN 159 H -0.06 0.10 0.10 -0.55 8.53 8.13 3k63A1 ASN 159 HA -0.27 0.18 0.51 -0.75 4.76 4.43 3k63A1 ASN 159 HB2 -0.08 -0.03 0.03 -0.04 2.88 2.76 3k63A1 ASN 159 HB3 -0.18 -0.08 0.16 -0.04 2.79 2.66 3k63A1 ASN 159 HD21 -0.08 0.05 0.01 -0.04 7.03 6.97 3k63A1 ASN 159 HD22 -0.07 -0.01 0.02 -0.04 7.74 7.64 3k63A1 TYR 160 H -0.43 0.17 0.19 -0.55 8.29 7.67 3k63A1 TYR 160 HA 0.11 0.09 0.40 -0.75 4.56 4.41 3k63A1 TYR 160 HB2 -0.24 0.04 0.11 -0.04 3.06 2.93 3k63A1 TYR 160 HB3 -0.53 0.06 -0.06 -0.04 2.98 2.41 3k63A1 TYR 160 HD2 -0.14 0.03 0.03 -0.04 7.15 7.03 3k63A1 TYR 160 HE2 -0.87 0.05 0.07 -0.04 6.85 6.05 3k63A1 ASP 161 H 0.02 0.05 -0.08 -0.55 8.40 7.83 3k63A1 ASP 161 HA 0.06 0.16 0.46 -0.75 4.63 4.56 3k63A1 ASP 161 HB2 0.00 0.00 0.09 -0.04 2.71 2.76 3k63A1 ASP 161 HB3 -0.01 0.17 0.10 -0.04 2.70 2.92 3k63A1 GLN 162 H 0.03 0.37 -0.68 -0.55 8.47 7.65 3k63A1 GLN 162 HA -0.00 0.17 0.78 -0.75 4.36 4.56 3k63A1 GLN 162 HB2 -0.03 0.07 0.01 -0.04 2.15 2.17 3k63A1 GLN 162 HB3 -0.03 -0.00 0.13 -0.04 2.02 2.08 3k63A1 GLN 162 HG2 -0.02 0.05 -0.01 -0.04 2.40 2.38 3k63A1 GLN 162 HG3 -0.02 -0.09 -0.23 -0.04 2.39 2.02 3k63A1 GLN 162 HE21 -0.02 0.03 0.03 -0.04 6.97 6.97 3k63A1 GLN 162 HE22 -0.02 0.02 -0.01 -0.04 7.69 7.64 3k63A1 LEU 163 H 0.10 0.38 -0.11 -0.55 8.37 8.20 3k63A1 LEU 163 HA -0.08 0.13 1.04 -0.75 4.35 4.68 3k63A1 LEU 163 HB2 0.18 0.09 0.13 -0.04 1.64 2.00 3k63A1 LEU 163 HB3 -0.02 -0.05 -0.09 -0.04 1.64 1.45 3k63A1 LEU 163 HG -0.07 0.02 -0.34 -0.04 1.64 1.21 3k63A1 LEU 163 HD13 0.15 -0.00 -0.12 -0.04 0.93 0.91 3k63A1 LEU 163 HD23 -0.66 0.00 -0.06 -0.04 0.89 0.13 3k63A1 LEU 164 H -0.03 0.11 0.10 -0.55 8.37 8.00 3k63A1 LEU 164 HA 0.07 0.43 0.42 -0.75 4.35 4.52 3k63A1 LEU 164 HB2 0.02 -0.16 0.13 -0.04 1.64 1.58 3k63A1 LEU 164 HB3 0.06 -0.09 0.04 -0.04 1.64 1.61 3k63A1 LEU 164 HG 0.02 0.05 -0.10 -0.04 1.64 1.56 3k63A1 LEU 164 HD13 0.03 -0.01 -0.04 -0.04 0.93 0.87 3k63A1 LEU 164 HD23 0.05 0.08 -0.21 -0.04 0.89 0.76 3k63A1 PRO 165 HA -0.18 0.09 0.34 -0.51 4.44 4.19 3k63A1 PRO 165 HB2 0.15 -0.13 -0.03 -0.04 2.28 2.22 3k63A1 PRO 165 HB3 0.07 0.12 0.00 -0.04 2.02 2.16 3k63A1 PRO 165 HG2 0.09 0.12 -0.09 -0.04 2.03 2.11 3k63A1 PRO 165 HG3 0.01 0.06 -0.22 -0.04 2.03 1.84 3k63A1 PRO 165 HD2 0.08 0.04 0.21 -0.04 3.68 3.96 3k63A1 PRO 165 HD3 0.12 0.48 0.18 -0.04 3.65 4.40 3k63A1 SER 166 H 0.15 0.16 -0.28 -0.55 8.46 7.95 3k63A1 SER 166 HA 0.42 0.06 0.30 -0.75 4.49 4.51 3k63A1 SER 166 HB2 0.08 0.03 0.01 -0.04 3.95 4.03 3k63A1 SER 166 HB3 0.17 0.01 0.05 -0.04 3.93 4.12 3k63A1 GLN 167 H 0.07 0.16 -0.31 -0.55 8.47 7.85 3k63A1 GLN 167 HA 0.14 0.05 0.38 -0.75 4.36 4.18 3k63A1 GLN 167 HB2 -0.06 0.14 0.07 -0.04 2.15 2.26 3k63A1 GLN 167 HB3 -0.10 0.06 -0.03 -0.04 2.02 1.91 3k63A1 GLN 167 HG2 0.00 0.03 0.04 -0.04 2.40 2.43 3k63A1 GLN 167 HG3 0.00 -0.16 0.08 -0.04 2.39 2.27 3k63A1 GLN 167 HE21 -0.20 0.12 0.06 -0.04 6.97 6.90 3k63A1 GLN 167 HE22 -0.14 0.01 0.02 -0.04 7.69 7.54 3k63A1 ILE 168 H 0.03 0.42 -0.23 -0.55 8.25 7.92 3k63A1 ILE 168 HA 0.15 0.03 0.34 -0.75 4.18 3.94 3k63A1 ILE 168 HB -0.28 0.13 0.06 -0.04 1.89 1.76 3k63A1 ILE 168 HG12 0.08 -0.03 -0.08 -0.04 1.49 1.42 3k63A1 ILE 168 HG13 -0.01 -0.01 -0.11 -0.04 1.21 1.04 3k63A1 ILE 168 HG23 -0.98 -0.01 -0.19 -0.04 0.93 -0.30 3k63A1 ILE 168 HD13 -0.14 0.01 -0.12 -0.04 0.88 0.60 3k63A1 TYR 169 H 0.16 0.55 -0.13 -0.55 8.29 8.32 3k63A1 TYR 169 HA 0.24 0.02 0.37 -0.75 4.56 4.44 3k63A1 TYR 169 HB2 -0.20 -0.02 -0.03 -0.04 3.06 2.77 3k63A1 TYR 169 HB3 0.06 0.06 0.08 -0.04 2.98 3.13 3k63A1 TYR 169 HD2 -0.09 0.07 -0.17 -0.04 7.15 6.91 3k63A1 TYR 169 HE2 -0.03 0.01 0.03 -0.04 6.85 6.82 3k63A1 LYS 170 H 0.22 0.39 -0.37 -0.55 8.42 8.10 3k63A1 LYS 170 HA -0.03 0.13 0.70 -0.75 4.32 4.37 3k63A1 LYS 170 HB2 0.16 0.08 0.09 -0.04 1.87 2.16 3k63A1 LYS 170 HB3 0.10 -0.03 0.13 -0.04 1.79 1.95 3k63A1 LYS 170 HG2 0.19 -0.00 -0.01 -0.04 1.46 1.60 3k63A1 LYS 170 HG3 0.36 0.02 -0.02 -0.04 1.46 1.78 3k63A1 LYS 170 HD2 0.09 -0.06 -0.06 -0.04 1.69 1.62 3k63A1 LYS 170 HD3 0.07 0.01 -0.01 -0.04 1.68 1.71 3k63A1 LYS 170 HE2 0.10 0.04 -0.01 -0.04 2.99 3.08 3k63A1 LYS 170 HE3 0.11 -0.06 -0.02 -0.04 2.99 2.99 3k63A1 ASN 171 H 0.13 0.32 -0.33 -0.55 8.53 8.10 3k63A1 ASN 171 HA 0.08 0.22 1.04 -0.75 4.76 5.34 3k63A1 ASN 171 HB2 0.14 0.11 0.02 -0.04 2.88 3.11 3k63A1 ASN 171 HB3 -0.30 -0.10 0.12 -0.04 2.79 2.47 3k63A1 ASN 171 HD21 0.29 -0.10 -0.08 -0.04 7.03 7.10 3k63A1 ASN 171 HD22 0.40 0.58 0.05 -0.04 7.74 8.73 3k63A1 TYR 172 H 0.08 0.34 0.03 -0.55 8.29 8.19 3k63A1 TYR 172 HA -0.03 0.10 0.52 -0.75 4.56 4.40 3k63A1 TYR 172 HB2 0.22 -0.02 0.03 -0.04 3.06 3.26 3k63A1 TYR 172 HB3 0.07 0.11 0.08 -0.04 2.98 3.19 3k63A1 TYR 172 HD2 0.05 0.07 -0.08 -0.04 7.15 7.15 3k63A1 TYR 172 HE2 -0.13 0.12 0.08 -0.04 6.85 6.88 3k63A1 TYR 173 H -0.16 0.13 -0.43 -0.55 8.29 7.28 3k63A1 TYR 173 HA -0.17 0.10 0.32 -0.75 4.56 4.07 3k63A1 TYR 173 HB2 -0.17 0.02 0.07 -0.04 3.06 2.93 3k63A1 TYR 173 HB3 -0.38 0.00 0.02 -0.04 2.98 2.59 3k63A1 TYR 173 HD2 -0.16 -0.03 -0.20 -0.04 7.15 6.72 3k63A1 TYR 173 HE2 -0.08 0.10 0.05 -0.04 6.85 6.88 3k63A1 GLN 174 H -0.63 0.27 -0.61 -0.55 8.47 6.96 3k63A1 GLN 174 HA -0.38 0.11 0.59 -0.75 4.36 3.93 3k63A1 GLN 174 HB2 -0.44 0.13 0.06 -0.04 2.15 1.87 3k63A1 GLN 174 HB3 -0.29 -0.02 -0.02 -0.04 2.02 1.64 3k63A1 GLN 174 HG2 -0.54 0.01 -0.01 -0.04 2.40 1.81 3k63A1 GLN 174 HG3 -1.53 -0.04 -0.03 -0.04 2.39 0.75 3k63A1 GLN 174 HE21 -0.20 -0.00 0.03 -0.04 6.97 6.76 3k63A1 GLN 174 HE22 -0.29 0.01 0.05 -0.04 7.69 7.42 3k63A1 GLY 175 H -0.06 0.45 -0.31 -0.55 8.43 7.96 3k63A1 GLY 175 HA2 0.03 0.03 0.32 -0.51 4.01 3.88 3k63A1 GLY 175 HA3 -0.01 0.19 0.88 -0.51 4.01 4.56 3k63A1 ILE 176 H 0.07 0.29 0.20 -0.55 8.25 8.26 3k63A1 ILE 176 HA 0.17 0.16 1.03 -0.75 4.18 4.78 3k63A1 ILE 176 HB 0.08 0.02 0.14 -0.04 1.89 2.09 3k63A1 ILE 176 HG12 0.26 -0.03 -0.07 -0.04 1.49 1.61 3k63A1 ILE 176 HG13 0.19 -0.01 -0.35 -0.04 1.21 1.00 3k63A1 ILE 176 HG23 0.15 -0.02 -0.17 -0.04 0.93 0.85 3k63A1 ILE 176 HD13 -0.02 0.00 -0.08 -0.04 0.88 0.73 3k63A1 GLU 177 H 0.19 0.87 0.35 -0.55 8.60 9.46 3k63A1 GLU 177 HA 0.09 0.15 0.90 -0.75 4.29 4.68 3k63A1 GLU 177 HB2 0.08 -0.01 -0.02 -0.04 2.09 2.10 3k63A1 GLU 177 HB3 0.12 -0.03 0.14 -0.04 1.99 2.18 3k63A1 GLU 177 HG2 0.09 0.09 -0.19 -0.04 2.34 2.29 3k63A1 GLU 177 HG3 0.06 0.01 0.01 -0.04 2.34 2.38 3k63A1 ILE 178 H 0.10 0.20 0.16 -0.55 8.25 8.16 3k63A1 ILE 178 HA 0.25 0.16 0.92 -0.75 4.18 4.75 3k63A1 ILE 178 HB 0.07 0.00 0.17 -0.04 1.89 2.09 3k63A1 ILE 178 HG12 0.09 -0.01 -0.05 -0.04 1.49 1.47 3k63A1 ILE 178 HG13 0.02 0.15 0.10 -0.04 1.21 1.44 3k63A1 ILE 178 HG23 0.13 0.02 -0.13 -0.04 0.93 0.91 3k63A1 ILE 178 HD13 0.23 -0.02 -0.14 -0.04 0.88 0.91 3k63A1 GLN 179 H 0.17 0.82 0.26 -0.55 8.47 9.17 3k63A1 GLN 179 HA 0.09 0.20 0.86 -0.75 4.36 4.76 3k63A1 GLN 179 HB2 0.08 -0.11 0.16 -0.04 2.15 2.24 3k63A1 GLN 179 HB3 0.19 0.03 0.02 -0.04 2.02 2.22 3k63A1 GLN 179 HG2 0.12 -0.00 -0.10 -0.04 2.40 2.39 3k63A1 GLN 179 HG3 0.10 0.06 -0.16 -0.04 2.39 2.35 3k63A1 GLN 179 HE21 0.13 0.06 -0.19 -0.04 6.97 6.92 3k63A1 GLN 179 HE22 0.10 0.01 -0.36 -0.04 7.69 7.39 3k63A1 GLN 180 H 0.05 0.24 -0.08 -0.55 8.47 8.13 3k63A1 GLN 180 HA 0.02 0.04 0.75 -0.75 4.36 4.42 3k63A1 GLN 180 HB2 0.02 -0.03 0.09 -0.04 2.15 2.18 3k63A1 GLN 180 HB3 0.04 0.01 0.15 -0.04 2.02 2.18 3k63A1 GLN 180 HG2 0.06 0.06 -0.18 -0.04 2.40 2.30 3k63A1 GLN 180 HG3 0.04 -0.03 0.01 -0.04 2.39 2.36 3k63A1 GLN 180 HE21 0.08 0.49 -0.17 -0.04 6.97 7.33 3k63A1 GLN 180 HE22 0.12 0.20 -0.35 -0.04 7.69 7.61 3k63A1 HIS 181 H -0.14 0.44 0.43 -0.55 8.41 8.59 3k63A1 HIS 181 HA 0.03 0.07 0.61 -0.75 4.63 4.59 3k63A1 HIS 181 HB2 0.02 0.16 0.08 -0.04 3.26 3.48 3k63A1 HIS 181 HB3 0.00 -0.07 0.03 -0.04 3.20 3.12 3k63A1 HIS 181 HD2 0.02 0.30 -0.29 -0.04 6.97 6.95 3k63A1 HIS 181 HE1 0.03 -0.07 -0.05 -0.04 7.75 7.61 3k63A1 LYS 182 H 0.06 0.42 0.24 -0.55 8.42 8.59 3k63A1 LYS 182 HA -0.07 0.16 0.99 -0.75 4.32 4.64 3k63A1 LYS 182 HB2 -0.40 -0.00 0.03 -0.04 1.87 1.45 3k63A1 LYS 182 HB3 -0.49 -0.06 0.11 -0.04 1.79 1.31 3k63A1 LYS 182 HG2 -0.03 0.12 -0.55 -0.04 1.46 0.96 3k63A1 LYS 182 HG3 0.01 0.11 -0.07 -0.04 1.46 1.47 3k63A1 LYS 182 HD2 -0.16 -0.04 -0.03 -0.04 1.69 1.42 3k63A1 LYS 182 HD3 -0.05 0.04 -0.08 -0.04 1.68 1.55 3k63A1 LYS 182 HE2 -0.03 0.01 -0.23 -0.04 2.99 2.69 3k63A1 LYS 182 HE3 -0.25 -0.03 -0.06 -0.04 2.99 2.61 3k63A1 TYR 183 H -0.17 0.17 0.16 -0.55 8.29 7.90 3k63A1 TYR 183 HA 0.03 -0.01 0.38 -0.75 4.56 4.21 3k63A1 TYR 183 HB2 0.03 0.25 0.02 -0.04 3.06 3.32 3k63A1 TYR 183 HB3 0.04 -0.09 0.19 -0.04 2.98 3.07 3k63A1 TYR 183 HD2 0.02 0.02 -0.07 -0.04 7.15 7.07 3k63A1 TYR 183 HE2 0.00 0.05 -0.05 -0.04 6.85 6.81 3k63A1 GLN 184 H 0.07 0.13 -0.38 -0.55 8.47 7.74 3k63A1 GLN 184 HA 0.08 0.33 0.47 -0.75 4.36 4.48 3k63A1 GLN 184 HB2 0.04 0.01 0.01 -0.04 2.15 2.17 3k63A1 GLN 184 HB3 0.05 0.04 0.05 -0.04 2.02 2.12 3k63A1 GLN 184 HG2 0.05 -0.04 -0.25 -0.04 2.40 2.13 3k63A1 GLN 184 HG3 0.04 -0.07 -0.07 -0.04 2.39 2.26 3k63A1 GLN 184 HE21 0.06 -0.04 0.03 -0.04 6.97 6.98 3k63A1 GLN 184 HE22 0.05 -0.00 -0.01 -0.04 7.69 7.68 3k63A1 ASN 185 H 0.09 -0.09 -0.43 -0.55 8.53 7.56 3k63A1 ASN 185 HA 0.04 0.17 0.58 -0.75 4.76 4.79 3k63A1 ASN 185 HB2 0.07 -0.10 0.07 -0.04 2.88 2.88 3k63A1 ASN 185 HB3 0.05 0.06 -0.05 -0.04 2.79 2.81 3k63A1 ASN 185 HD21 0.03 0.01 -0.01 -0.04 7.03 7.02 3k63A1 ASN 185 HD22 0.04 -0.01 -0.00 -0.04 7.74 7.73 3k63A1 GLU 186 H 0.12 -0.03 -0.11 -0.55 8.60 8.04 3k63A1 GLU 186 HA 0.07 0.16 0.73 -0.75 4.29 4.50 3k63A1 GLU 186 HB2 0.11 0.01 0.04 -0.04 2.09 2.21 3k63A1 GLU 186 HB3 0.11 -0.04 0.06 -0.04 1.99 2.09 3k63A1 GLU 186 HG2 0.07 0.22 0.02 -0.04 2.34 2.61 3k63A1 GLU 186 HG3 0.08 0.01 -0.10 -0.04 2.34 2.29 3k63A1 LEU 187 H 0.13 0.70 0.15 -0.55 8.37 8.81 3k63A1 LEU 187 HA 0.12 0.27 1.08 -0.75 4.35 5.07 3k63A1 LEU 187 HB2 0.34 -0.06 -0.14 -0.04 1.64 1.74 3k63A1 LEU 187 HB3 0.15 0.03 0.03 -0.04 1.64 1.81 3k63A1 LEU 187 HG 0.07 -0.03 -0.53 -0.04 1.64 1.11 3k63A1 LEU 187 HD13 0.27 -0.01 -0.13 -0.04 0.93 1.03 3k63A1 LEU 187 HD23 0.03 -0.01 -0.17 -0.04 0.89 0.70 3k63A1 ASP 188 H 0.05 0.41 0.29 -0.55 8.40 8.59 3k63A1 ASP 188 HA 0.00 0.23 0.96 -0.75 4.63 5.07 3k63A1 ASP 188 HB2 -0.01 0.08 -0.02 -0.04 2.71 2.72 3k63A1 ASP 188 HB3 -0.03 -0.11 0.14 -0.04 2.70 2.66 3k63A1 ILE 189 H -0.07 0.23 0.07 -0.55 8.25 7.93 3k63A1 ILE 189 HA -0.14 0.22 1.03 -0.75 4.18 4.53 3k63A1 ILE 189 HB -0.35 -0.03 0.04 -0.04 1.89 1.51 3k63A1 ILE 189 HG12 -0.19 0.07 -0.16 -0.04 1.49 1.17 3k63A1 ILE 189 HG13 -0.10 -0.03 -0.34 -0.04 1.21 0.71 3k63A1 ILE 189 HG23 -0.85 -0.01 -0.32 -0.04 0.93 -0.29 3k63A1 ILE 189 HD13 -0.32 -0.00 -0.16 -0.04 0.88 0.35 3k63A1 LYS 190 H -0.13 0.30 0.20 -0.55 8.42 8.23 3k63A1 LYS 190 HA -0.08 0.17 0.87 -0.75 4.32 4.52 3k63A1 LYS 190 HB2 -0.07 0.02 0.01 -0.04 1.87 1.78 3k63A1 LYS 190 HB3 -0.06 0.06 -0.17 -0.04 1.79 1.59 3k63A1 LYS 190 HG2 -0.05 -0.05 -0.32 -0.04 1.46 0.99 3k63A1 LYS 190 HG3 -0.04 0.02 -0.10 -0.04 1.46 1.30 3k63A1 LYS 190 HD2 -0.02 0.02 0.01 -0.04 1.69 1.66 3k63A1 LYS 190 HD3 -0.03 0.09 0.03 -0.04 1.68 1.73 3k63A1 LYS 190 HE2 -0.01 0.00 -0.03 -0.04 2.99 2.91 3k63A1 LYS 190 HE3 0.00 0.00 0.01 -0.04 2.99 2.97 3k63A1 ILE 191 H -0.09 0.20 0.05 -0.55 8.25 7.86 3k63A1 ILE 191 HA -0.21 0.22 0.81 -0.75 4.18 4.25 3k63A1 ILE 191 HB -0.28 -0.03 0.08 -0.04 1.89 1.62 3k63A1 ILE 191 HG12 -0.13 0.04 -0.16 -0.04 1.49 1.21 3k63A1 ILE 191 HG13 -0.02 -0.05 -0.27 -0.04 1.21 0.83 3k63A1 ILE 191 HG23 -1.12 -0.00 -0.22 -0.04 0.93 -0.45 3k63A1 ILE 191 HD13 -0.03 -0.01 -0.15 -0.04 0.88 0.66 3k63A1 ILE 192 H -0.15 0.54 0.24 -0.55 8.25 8.33 3k63A1 ILE 192 HA -0.07 0.17 0.80 -0.75 4.18 4.32 3k63A1 ILE 192 HB 0.01 -0.01 0.04 -0.04 1.89 1.89 3k63A1 ILE 192 HG12 -0.01 0.11 -0.06 -0.04 1.49 1.49 3k63A1 ILE 192 HG13 -0.03 -0.02 -0.19 -0.04 1.21 0.93 3k63A1 ILE 192 HG23 0.02 0.01 -0.16 -0.04 0.93 0.76 3k63A1 ILE 192 HD13 0.14 -0.00 -0.10 -0.04 0.88 0.88 3k63A1 ASN 193 H -0.32 0.32 0.15 -0.55 8.53 8.14 3k63A1 ASN 193 HA -0.42 0.15 0.62 -0.75 4.76 4.36 3k63A1 ASN 193 HB2 -0.09 -0.08 -0.04 -0.04 2.88 2.62 3k63A1 ASN 193 HB3 -0.04 0.05 -0.07 -0.04 2.79 2.68 3k63A1 ASN 193 HD21 0.08 -0.01 0.01 -0.04 7.03 7.07 3k63A1 ASN 193 HD22 0.19 -0.04 0.10 -0.04 7.74 7.95 3k63A1 PHE 194 H -0.52 0.26 0.15 -0.55 8.34 7.67 3k63A1 PHE 194 HA -0.21 0.19 0.90 -0.75 4.62 4.75 3k63A1 PHE 194 HB2 -0.38 0.01 0.08 -0.04 3.15 2.82 3k63A1 PHE 194 HB3 -0.13 -0.01 -0.08 -0.04 3.06 2.80 3k63A1 PHE 194 HD2 -0.69 0.01 -0.11 -0.04 7.28 6.45 3k63A1 PHE 194 HE2 -0.44 0.01 -0.12 -0.04 7.38 6.79 3k63A1 PHE 194 HZ -1.43 -0.02 -0.13 -0.04 7.32 5.69 3k63A1 LEU 195 H 0.06 0.69 0.30 -0.55 8.37 8.88 3k63A1 LEU 195 HA 0.07 0.16 0.92 -0.75 4.35 4.75 3k63A1 LEU 195 HB2 0.04 0.01 -0.05 -0.04 1.64 1.61 3k63A1 LEU 195 HB3 0.06 0.05 -0.01 -0.04 1.64 1.69 3k63A1 LEU 195 HG 0.02 -0.08 -0.53 -0.04 1.64 1.00 3k63A1 LEU 195 HD13 0.02 0.00 -0.13 -0.04 0.93 0.79 3k63A1 LEU 195 HD23 0.12 0.04 -0.03 -0.04 0.89 0.98 3k63A1 TYR 196 H -0.15 0.16 0.07 -0.55 8.29 7.82 3k63A1 TYR 196 HA 0.00 0.19 0.51 -0.75 4.56 4.51 3k63A1 TYR 196 HB2 -0.05 -0.08 -0.07 -0.04 3.06 2.81 3k63A1 TYR 196 HB3 -0.04 -0.00 -0.13 -0.04 2.98 2.77 3k63A1 TYR 196 HD2 -0.13 0.13 -0.20 -0.04 7.15 6.91 3k63A1 TYR 196 HE2 -0.27 0.03 -0.20 -0.04 6.85 6.37 3k63A1 PRO 197 HA 0.07 0.11 0.30 -0.51 4.44 4.42 3k63A1 PRO 197 HB2 0.05 -0.01 -0.03 -0.04 2.28 2.25 3k63A1 PRO 197 HB3 0.06 0.08 -0.03 -0.04 2.02 2.09 3k63A1 PRO 197 HG2 0.09 0.07 -0.16 -0.04 2.03 1.99 3k63A1 PRO 197 HG3 0.10 0.05 -0.25 -0.04 2.03 1.88 3k63A1 PRO 197 HD2 0.11 0.03 0.08 -0.04 3.68 3.86 3k63A1 PRO 197 HD3 0.17 0.22 0.14 -0.04 3.65 4.14 3k63A1 ASP 198 H 0.06 0.02 -0.25 -0.55 8.40 7.68 3k63A1 ASP 198 HA 0.03 0.32 0.85 -0.75 4.63 5.08 3k63A1 ASP 198 HB2 -0.01 -0.11 -0.00 -0.04 2.71 2.55 3k63A1 ASP 198 HB3 -0.00 0.05 0.12 -0.04 2.70 2.83 3k63A1 GLY 199 H 0.13 0.20 -0.42 -0.55 8.43 7.79 3k63A1 GLY 199 HA2 0.12 0.04 0.29 -0.51 4.01 3.95 3k63A1 GLY 199 HA3 0.06 0.24 0.66 -0.51 4.01 4.46 3k63A1 ASP 200 H -0.02 0.09 -0.26 -0.55 8.40 7.67 3k63A1 ASP 200 HA -0.02 0.21 0.76 -0.75 4.63 4.82 3k63A1 ASP 200 HB2 -0.07 0.04 0.08 -0.04 2.71 2.72 3k63A1 ASP 200 HB3 -0.05 0.15 -0.25 -0.04 2.70 2.51 3k63A1 PHE 201 H -0.26 0.26 0.11 -0.55 8.34 7.89 3k63A1 PHE 201 HA -1.57 0.03 0.35 -0.75 4.62 2.67 3k63A1 PHE 201 HB2 -0.38 -0.03 0.06 -0.04 3.15 2.76 3k63A1 PHE 201 HB3 -0.52 0.07 0.13 -0.04 3.06 2.70 3k63A1 PHE 201 HD2 -0.13 0.00 -0.07 -0.04 7.28 7.04 3k63A1 PHE 201 HE2 -0.04 0.11 -0.03 -0.04 7.38 7.38 3k63A1 PHE 201 HZ -0.03 0.03 -0.42 -0.04 7.32 6.86 3k63A1 GLY 202 H -1.53 0.10 -0.11 -0.55 8.43 6.35 3k63A1 GLY 202 HA2 -0.57 0.27 0.47 -0.51 4.01 3.68 3k63A1 GLY 202 HA3 -0.67 0.08 0.33 -0.51 4.01 3.23 3k63A1 SER 203 H -0.32 0.14 -0.23 -0.55 8.46 7.50 3k63A1 SER 203 HA -0.11 0.12 0.38 -0.75 4.49 4.13 3k63A1 SER 203 HB2 -0.12 0.01 0.07 -0.04 3.95 3.86 3k63A1 SER 203 HB3 -0.11 -0.01 0.08 -0.04 3.93 3.85 3k63A1 ALA 204 H -0.22 0.22 -0.13 -0.55 8.40 7.73 3k63A1 ALA 204 HA 0.02 0.06 0.55 -0.75 4.34 4.22 3k63A1 ALA 204 HB3 0.02 0.04 0.14 -0.04 1.41 1.58 3k63A1 ASN 205 H -0.10 0.85 0.11 -0.55 8.53 8.84 3k63A1 ASN 205 HA 0.05 0.04 0.53 -0.75 4.76 4.63 3k63A1 ASN 205 HB2 -0.00 0.15 0.17 -0.04 2.88 3.16 3k63A1 ASN 205 HB3 0.05 -0.03 0.01 -0.04 2.79 2.78 3k63A1 ASN 205 HD21 0.20 -0.26 -0.07 -0.04 7.03 6.85 3k63A1 ASN 205 HD22 0.27 0.39 -0.43 -0.04 7.74 7.94 3k63A1 LYS 206 H -0.05 0.36 -0.35 -0.55 8.42 7.83 3k63A1 LYS 206 HA -0.02 0.15 0.49 -0.75 4.32 4.19 3k63A1 LYS 206 HB2 -0.04 0.08 0.13 -0.04 1.87 2.00 3k63A1 LYS 206 HB3 -0.02 -0.03 -0.04 -0.04 1.79 1.66 3k63A1 LYS 206 HG2 -0.01 0.10 -0.20 -0.04 1.46 1.31 3k63A1 LYS 206 HG3 -0.04 -0.03 -0.20 -0.04 1.46 1.14 3k63A1 LYS 206 HD2 -0.05 -0.07 -0.08 -0.04 1.69 1.45 3k63A1 LYS 206 HD3 -0.01 0.00 -0.03 -0.04 1.68 1.61 3k63A1 LYS 206 HE2 0.03 0.02 -0.06 -0.04 2.99 2.95 3k63A1 LYS 206 HE3 -0.06 0.04 -0.33 -0.04 2.99 2.60 3k63A1 ASN 207 H 0.01 0.26 -0.12 -0.55 8.53 8.13 3k63A1 ASN 207 HA 0.02 0.16 0.69 -0.75 4.76 4.87 3k63A1 ASN 207 HB2 0.04 -0.04 0.08 -0.04 2.88 2.92 3k63A1 ASN 207 HB3 0.04 -0.04 0.11 -0.04 2.79 2.86 3k63A1 ASN 207 HD21 -0.00 -0.02 -0.08 -0.04 7.03 6.89 3k63A1 ASN 207 HD22 0.01 0.09 -0.19 -0.04 7.74 7.61 3k63A1 GLY 208 H 0.06 0.20 -0.32 -0.55 8.43 7.81 3k63A1 GLY 208 HA2 0.14 0.12 0.27 -0.51 4.01 4.03 3k63A1 GLY 208 HA3 0.12 0.19 0.24 -0.51 4.01 4.05 3k63A1 THR 209 H 0.12 0.30 -0.05 -0.55 8.28 8.10 3k63A1 THR 209 HA 0.30 0.29 1.12 -0.75 4.39 5.34 3k63A1 THR 209 HB 0.09 -0.12 -0.00 -0.04 4.32 4.25 3k63A1 THR 209 HG23 0.11 0.01 -0.13 -0.04 1.22 1.17 3k63A1 LEU 210 H 0.23 0.73 0.41 -0.55 8.37 9.19 3k63A1 LEU 210 HA 0.10 0.09 0.77 -0.75 4.35 4.56 3k63A1 LEU 210 HB2 -0.01 0.04 -0.01 -0.04 1.64 1.61 3k63A1 LEU 210 HB3 0.09 -0.01 -0.06 -0.04 1.64 1.62 3k63A1 LEU 210 HG -0.28 0.06 -0.30 -0.04 1.64 1.07 3k63A1 LEU 210 HD13 -1.00 -0.00 -0.11 -0.04 0.93 -0.22 3k63A1 LEU 210 HD23 0.00 -0.00 -0.08 -0.04 0.89 0.77 3k63A1 LYS 211 H 0.09 0.76 0.29 -0.55 8.42 9.01 3k63A1 LYS 211 HA 0.08 0.14 0.81 -0.75 4.32 4.59 3k63A1 LYS 211 HB2 0.07 -0.05 -0.18 -0.04 1.87 1.67 3k63A1 LYS 211 HB3 0.06 -0.05 -0.01 -0.04 1.79 1.75 3k63A1 LYS 211 HG2 0.03 -0.02 -0.28 -0.04 1.46 1.14 3k63A1 LYS 211 HG3 0.05 -0.00 -0.18 -0.04 1.46 1.29 3k63A1 LYS 211 HD2 0.04 0.00 -0.16 -0.04 1.69 1.54 3k63A1 LYS 211 HD3 0.03 -0.01 -0.12 -0.04 1.68 1.54 3k63A1 LYS 211 HE2 0.04 -0.03 -0.08 -0.04 2.99 2.89 3k63A1 LYS 211 HE3 0.06 -0.10 -0.06 -0.04 2.99 2.85 3k63A1 LEU 212 H 0.06 0.83 0.30 -0.55 8.37 9.02 3k63A1 LEU 212 HA -0.18 0.15 0.92 -0.75 4.35 4.48 3k63A1 LEU 212 HB2 0.07 0.14 0.23 -0.04 1.64 2.04 3k63A1 LEU 212 HB3 -0.04 0.00 -0.06 -0.04 1.64 1.50 3k63A1 LEU 212 HG -0.32 0.01 -0.04 -0.04 1.64 1.25 3k63A1 LEU 212 HD13 0.29 -0.02 -0.18 -0.04 0.93 0.98 3k63A1 LEU 212 HD23 0.23 -0.01 -0.09 -0.04 0.89 0.98 3k63A1 SER 213 H -0.22 0.75 0.35 -0.55 8.46 8.79 3k63A1 SER 213 HA -0.02 0.08 0.69 -0.75 4.49 4.48 3k63A1 SER 213 HB2 -0.06 0.00 0.00 -0.04 3.95 3.85 3k63A1 SER 213 HB3 -0.12 -0.13 0.24 -0.04 3.93 3.88 3k63A1 LEU 214 H 0.01 0.75 0.32 -0.55 8.37 8.91 3k63A1 LEU 214 HA -0.08 0.28 1.07 -0.75 4.35 4.86 3k63A1 LEU 214 HB2 -0.01 0.04 0.15 -0.04 1.64 1.77 3k63A1 LEU 214 HB3 -0.09 0.01 0.12 -0.04 1.64 1.65 3k63A1 LEU 214 HG -0.01 0.09 -0.18 -0.04 1.64 1.50 3k63A1 LEU 214 HD13 0.03 -0.02 -0.12 -0.04 0.93 0.78 3k63A1 LEU 214 HD23 -0.05 -0.03 -0.22 -0.04 0.89 0.55 3k63A1 LEU 216 HA -0.01 0.15 0.50 -0.75 4.35 4.24 3k63A1 LEU 216 HB2 0.24 -0.07 0.05 -0.04 1.64 1.82 3k63A1 LEU 216 HB3 0.29 -0.05 -0.06 -0.04 1.64 1.78 3k63A1 LEU 216 HG -0.00 0.01 -0.42 -0.04 1.64 1.19 3k63A1 LEU 216 HD13 0.00 -0.01 -0.15 -0.04 0.93 0.73 3k63A1 LEU 216 HD23 -0.06 -0.02 0.00 -0.04 0.89 0.77 3k63A1 THR 217 H -0.02 0.43 0.32 -0.55 8.28 8.45 3k63A1 THR 217 HA -0.14 0.28 1.08 -0.75 4.39 4.85 3k63A1 THR 217 HB -0.07 -0.09 0.09 -0.04 4.32 4.22 3k63A1 THR 217 HG23 -0.11 0.01 -0.37 -0.04 1.22 0.71 3k63A1 ASP 218 H -0.28 0.75 0.25 -0.55 8.40 8.58 3k63A1 ASP 218 HA -0.70 0.15 0.69 -0.75 4.63 4.02 3k63A1 ASP 218 HB2 -0.80 0.10 0.15 -0.04 2.71 2.11 3k63A1 ASP 218 HB3 -0.26 -0.16 0.32 -0.04 2.70 2.56 3k63A1 LYS 219 H -0.08 0.70 0.29 -0.55 8.42 8.77 3k63A1 LYS 219 HA -0.06 0.06 0.33 -0.75 4.32 3.89 3k63A1 LYS 219 HB2 0.00 0.10 0.01 -0.04 1.87 1.95 3k63A1 LYS 219 HB3 -0.01 0.01 0.05 -0.04 1.79 1.80 3k63A1 LYS 219 HG2 -0.02 -0.07 -0.14 -0.04 1.46 1.19 3k63A1 LYS 219 HG3 -0.01 0.01 -0.29 -0.04 1.46 1.12 3k63A1 LYS 219 HD2 0.03 0.01 -0.58 -0.04 1.69 1.11 3k63A1 LYS 219 HD3 0.01 -0.00 -0.10 -0.04 1.68 1.55 3k63A1 LYS 219 HE2 -0.00 -0.09 -0.11 -0.04 2.99 2.75 3k63A1 LYS 219 HE3 0.01 -0.08 -0.36 -0.04 2.99 2.52 3k63A1 LYS 220 H -0.07 -0.03 -0.30 -0.55 8.42 7.46 3k63A1 LYS 220 HA -0.02 0.18 0.59 -0.75 4.32 4.32 3k63A1 LYS 220 HB2 -0.00 0.06 0.11 -0.04 1.87 2.00 3k63A1 LYS 220 HB3 -0.03 -0.19 0.19 -0.04 1.79 1.72 3k63A1 LYS 220 HG2 -0.01 0.02 -0.18 -0.04 1.46 1.25 3k63A1 LYS 220 HG3 -0.00 0.05 0.01 -0.04 1.46 1.48 3k63A1 LYS 220 HD2 0.01 0.04 0.02 -0.04 1.69 1.72 3k63A1 LYS 220 HD3 0.01 -0.08 0.03 -0.04 1.68 1.60 3k63A1 LYS 220 HE2 0.00 0.00 -0.02 -0.04 2.99 2.93 3k63A1 LYS 220 HE3 0.00 0.03 -0.01 -0.04 2.99 2.97 3k63A1 ASN 221 H -0.06 -0.02 0.07 -0.55 8.53 7.97 3k63A1 ASN 221 HA -0.04 0.17 0.52 -0.75 4.76 4.66 3k63A1 ASN 221 HB2 -0.04 0.04 0.06 -0.04 2.88 2.90 3k63A1 ASN 221 HB3 -0.02 -0.00 0.10 -0.04 2.79 2.82 3k63A1 ASN 221 HD21 -0.01 -0.02 0.08 -0.04 7.03 7.04 3k63A1 ASN 221 HD22 0.00 0.03 0.06 -0.04 7.74 7.79 3k63A1 ASN 222 H -0.10 0.37 -0.13 -0.55 8.53 8.12 3k63A1 ASN 222 HA -0.10 0.13 0.21 -0.75 4.76 4.25 3k63A1 ASN 222 HB2 -0.05 0.04 -0.38 -0.04 2.88 2.44 3k63A1 ASN 222 HB3 -0.07 0.01 0.24 -0.04 2.79 2.93 3k63A1 ASN 222 HD21 -0.04 -0.03 0.00 -0.04 7.03 6.91 3k63A1 ASN 222 HD22 -0.05 -0.01 0.04 -0.04 7.74 7.68 3k63A1 GLN 223 H -0.15 -0.05 -0.06 -0.55 8.47 7.67 3k63A1 GLN 223 HA -0.21 0.14 0.60 -0.75 4.36 4.14 3k63A1 GLN 223 HB2 -0.14 -0.09 0.06 -0.04 2.15 1.94 3k63A1 GLN 223 HB3 -0.56 0.01 -0.07 -0.04 2.02 1.35 3k63A1 GLN 223 HG2 -0.17 0.05 0.02 -0.04 2.40 2.27 3k63A1 GLN 223 HG3 -0.12 -0.03 -0.00 -0.04 2.39 2.20 3k63A1 GLN 223 HE21 -0.26 0.02 -0.01 -0.04 6.97 6.68 3k63A1 GLN 223 HE22 -0.11 -0.07 -0.02 -0.04 7.69 7.45 3k63A1 VAL 224 H -0.32 0.14 0.19 -0.55 8.24 7.71 3k63A1 VAL 224 HA -0.28 0.22 0.89 -0.75 4.13 4.20 3k63A1 VAL 224 HB -0.19 -0.06 0.11 -0.04 2.12 1.94 3k63A1 VAL 224 HG13 -0.44 0.01 -0.23 -0.04 0.97 0.26 3k63A1 VAL 224 HG23 -0.14 0.01 -0.06 -0.04 0.95 0.71 3k63A1 TYR 225 H -0.12 1.01 0.42 -0.55 8.29 9.05 3k63A1 TYR 225 HA -0.06 0.09 1.01 -0.75 4.56 4.84 3k63A1 TYR 225 HB2 0.05 0.05 0.07 -0.04 3.06 3.19 3k63A1 TYR 225 HB3 0.04 -0.00 0.04 -0.04 2.98 3.02 3k63A1 TYR 225 HD2 -0.07 0.09 -0.03 -0.04 7.15 7.11 3k63A1 TYR 225 HE2 -0.18 -0.06 -0.04 -0.04 6.85 6.53 3k63A1 TYR 226 H 0.24 0.09 0.22 -0.55 8.29 8.28 3k63A1 TYR 226 HA 0.04 0.46 1.25 -0.75 4.56 5.56 3k63A1 TYR 226 HB2 0.03 -0.08 0.09 -0.04 3.06 3.07 3k63A1 TYR 226 HB3 0.01 -0.03 0.03 -0.04 2.98 2.95 3k63A1 TYR 226 HD2 -0.01 0.02 -0.05 -0.04 7.15 7.07 3k63A1 TYR 226 HE2 -0.04 -0.02 -0.12 -0.04 6.85 6.63 3k63A1 LYS 227 H 0.11 0.54 0.23 -0.55 8.42 8.75 3k63A1 LYS 227 HA 0.08 0.06 0.68 -0.75 4.32 4.39 3k63A1 LYS 227 HB2 0.05 0.07 -0.33 -0.04 1.87 1.62 3k63A1 LYS 227 HB3 0.03 -0.04 -0.08 -0.04 1.79 1.65 3k63A1 LYS 227 HG2 0.03 0.10 -0.30 -0.04 1.46 1.25 3k63A1 LYS 227 HG3 0.03 -0.02 0.03 -0.04 1.46 1.46 3k63A1 LYS 227 HD2 -0.01 -0.02 -0.11 -0.04 1.69 1.50 3k63A1 LYS 227 HD3 0.01 -0.01 -0.13 -0.04 1.68 1.50 3k63A1 LYS 227 HE2 -0.02 -0.05 -0.07 -0.04 2.99 2.80 3k63A1 LYS 227 HE3 -0.03 0.07 -0.06 -0.04 2.99 2.94 3k63A1 LEU 228 H 0.04 0.17 0.15 -0.55 8.37 8.19 3k63A1 LEU 228 HA 0.02 0.24 0.85 -0.75 4.35 4.71 3k63A1 LEU 228 HB2 0.03 -0.00 0.11 -0.04 1.64 1.74 3k63A1 LEU 228 HB3 0.03 -0.00 -0.07 -0.04 1.64 1.55 3k63A1 LEU 228 HG 0.04 -0.05 -0.08 -0.04 1.64 1.50 3k63A1 LEU 228 HD13 0.02 0.01 -0.05 -0.04 0.93 0.87 3k63A1 LEU 228 HD23 0.01 0.00 -0.11 -0.04 0.89 0.75 3k63A1 LEU 229 H 0.04 0.65 0.30 -0.55 8.37 8.81 3k63A1 LEU 229 HA 0.05 0.16 0.93 -0.75 4.35 4.74 3k63A1 LEU 229 HB2 0.07 0.07 -0.12 -0.04 1.64 1.62 3k63A1 LEU 229 HB3 0.09 -0.00 0.10 -0.04 1.64 1.78 3k63A1 LEU 229 HG 0.09 -0.04 -0.40 -0.04 1.64 1.25 3k63A1 LEU 229 HD13 0.06 0.02 0.02 -0.04 0.93 0.98 3k63A1 LEU 229 HD23 0.17 -0.04 -0.12 -0.04 0.89 0.87 3k63A1 GLU 230 H 0.05 0.20 0.14 -0.55 8.60 8.45 3k63A1 GLU 230 HA 0.09 0.18 1.01 -0.75 4.29 4.82 3k63A1 GLU 230 HB2 0.05 -0.03 0.05 -0.04 2.09 2.13 3k63A1 GLU 230 HB3 0.05 0.00 0.18 -0.04 1.99 2.18 3k63A1 GLU 230 HG2 0.07 -0.01 -0.21 -0.04 2.34 2.16 3k63A1 GLU 230 HG3 0.08 0.09 -0.04 -0.04 2.34 2.43 3k63A1 VAL 231 H 0.16 0.55 0.43 -0.55 8.24 8.83 3k63A1 VAL 231 HA 0.06 0.21 1.15 -0.75 4.13 4.80 3k63A1 VAL 231 HB -0.00 0.05 0.11 -0.04 2.12 2.24 3k63A1 VAL 231 HG13 0.10 0.01 -0.21 -0.04 0.97 0.83 3k63A1 VAL 231 HG23 0.37 0.00 -0.09 -0.04 0.95 1.19 3k63A1 SER 232 H 0.00 0.14 0.21 -0.55 8.46 8.26 3k63A1 SER 232 HA 0.17 0.29 1.06 -0.75 4.49 5.25 3k63A1 SER 232 HB2 0.03 0.05 0.19 -0.04 3.95 4.18 3k63A1 SER 232 HB3 0.06 -0.03 -0.01 -0.04 3.93 3.91 3k63A1 GLY 233 H 0.00 0.33 0.26 -0.55 8.43 8.48 3k63A1 GLY 233 HA2 -0.07 0.00 0.34 -0.51 4.01 3.78 3k63A1 GLY 233 HA3 -0.20 0.10 0.79 -0.51 4.01 4.19 3k63A1 PHE 234 H 0.10 0.49 0.12 -0.55 8.34 8.49 3k63A1 PHE 234 HA 0.07 0.16 0.48 -0.75 4.62 4.58 3k63A1 PHE 234 HB2 0.05 -0.02 -0.10 -0.04 3.15 3.03 3k63A1 PHE 234 HB3 0.06 0.23 0.11 -0.04 3.06 3.42 3k63A1 PHE 234 HD2 0.08 0.17 -0.04 -0.04 7.28 7.45 3k63A1 PHE 234 HE2 0.11 -0.01 -0.11 -0.04 7.38 7.33 3k63A1 PHE 234 HZ 0.16 -0.06 -0.11 -0.04 7.32 7.27 3k63A1 LYS 235 H 0.20 0.28 0.11 -0.55 8.42 8.45 3k63A1 LYS 235 HA 0.06 0.10 0.36 -0.75 4.32 4.08 3k63A1 LYS 235 HB2 0.05 0.00 -0.54 -0.04 1.87 1.34 3k63A1 LYS 235 HB3 0.06 -0.18 -0.76 -0.04 1.79 0.87 3k63A1 LYS 235 HG2 0.03 -0.07 -0.30 -0.04 1.46 1.07 3k63A1 LYS 235 HG3 0.02 0.03 0.05 -0.04 1.46 1.51 3k63A1 LYS 235 HD2 0.00 0.06 -0.06 -0.04 1.69 1.66 3k63A1 LYS 235 HD3 -0.00 -0.05 -0.26 -0.04 1.68 1.33 3k63A1 LYS 235 HE2 0.00 -0.05 -0.09 -0.04 2.99 2.81 3k63A1 LYS 235 HE3 -0.00 0.04 -0.01 -0.04 2.99 2.98 3k63A1 SER 236 H 0.03 0.23 0.21 -0.55 8.46 8.39 3k63A1 SER 236 HA 0.04 0.12 0.72 -0.75 4.49 4.61 3k63A1 SER 236 HB2 0.01 0.16 0.04 -0.04 3.95 4.12 3k63A1 SER 236 HB3 0.05 0.00 -0.29 -0.04 3.93 3.66 3k63A1 ASN 237 H -0.00 0.50 0.22 -0.55 8.53 8.70 3k63A1 ASN 237 HA -0.06 0.19 0.72 -0.75 4.76 4.85 3k63A1 ASN 237 HB2 -0.05 0.05 0.11 -0.04 2.88 2.95 3k63A1 ASN 237 HB3 -0.00 0.05 -0.16 -0.04 2.79 2.63 3k63A1 ASN 237 HD21 0.08 -0.17 -0.02 -0.04 7.03 6.87 3k63A1 ASN 237 HD22 -0.10 0.17 -0.04 -0.04 7.74 7.74 3k63A1 PRO 238 HA -0.10 0.14 0.43 -0.51 4.44 4.39 3k63A1 PRO 238 HB2 -0.38 0.04 0.05 -0.04 2.28 1.94 3k63A1 PRO 238 HB3 -0.19 0.05 0.15 -0.04 2.02 1.99 3k63A1 PRO 238 HG2 -0.97 -0.02 0.05 -0.04 2.03 1.05 3k63A1 PRO 238 HG3 -0.40 0.07 0.08 -0.04 2.03 1.74 3k63A1 PRO 238 HD2 -0.20 0.08 0.21 -0.04 3.68 3.73 3k63A1 PRO 238 HD3 -0.16 0.20 0.21 -0.04 3.65 3.87 3k63A1 TYR 239 H -0.19 0.01 -0.31 -0.55 8.29 7.25 3k63A1 TYR 239 HA -0.03 0.28 0.99 -0.75 4.56 5.05 3k63A1 TYR 239 HB2 0.00 -0.08 0.01 -0.04 3.06 2.95 3k63A1 TYR 239 HB3 -0.01 0.03 0.12 -0.04 2.98 3.08 3k63A1 TYR 239 HD2 -0.00 0.08 -0.11 -0.04 7.15 7.07 3k63A1 TYR 239 HE2 -0.00 0.02 -0.04 -0.04 6.85 6.79 3k63A1 GLY 240 H 0.02 0.35 -0.05 -0.55 8.43 8.20 3k63A1 GLY 240 HA2 -0.00 -0.00 0.22 -0.51 4.01 3.72 3k63A1 GLY 240 HA3 -0.08 0.10 0.55 -0.51 4.01 4.07 3k63A1 VAL 241 H 0.12 -0.06 -0.25 -0.55 8.24 7.50 3k63A1 VAL 241 HA 0.23 0.29 0.52 -0.75 4.13 4.42 3k63A1 VAL 241 HB 0.13 -0.01 -0.02 -0.04 2.12 2.18 3k63A1 VAL 241 HG13 0.10 -0.04 -0.05 -0.04 0.97 0.94 3k63A1 VAL 241 HG23 0.09 0.09 -0.35 -0.04 0.95 0.74 3k63A1 ASP 242 H 0.16 0.30 0.15 -0.55 8.40 8.47 3k63A1 ASP 242 HA 0.09 0.21 0.72 -0.75 4.63 4.90 3k63A1 ASP 242 HB2 -0.06 -0.11 0.12 -0.04 2.71 2.62 3k63A1 ASP 242 HB3 -0.17 0.07 0.04 -0.04 2.70 2.60 3k63A1 GLU 243 H 0.02 0.11 0.10 -0.55 8.60 8.27 3k63A1 GLU 243 HA 0.02 0.14 0.31 -0.75 4.29 4.00 3k63A1 GLU 243 HB2 0.01 0.09 0.12 -0.04 2.09 2.27 3k63A1 GLU 243 HB3 0.01 -0.05 0.13 -0.04 1.99 2.03 3k63A1 GLU 243 HG2 0.02 0.05 -0.28 -0.04 2.34 2.08 3k63A1 GLU 243 HG3 0.05 0.08 -0.06 -0.04 2.34 2.37 3k63A1 ASN 244 H -0.01 -0.06 -0.64 -0.55 8.53 7.27 3k63A1 ASN 244 HA 0.01 0.28 0.86 -0.75 4.76 5.15 3k63A1 ASN 244 HB2 -0.03 -0.09 0.01 -0.04 2.88 2.73 3k63A1 ASN 244 HB3 -0.01 0.04 0.16 -0.04 2.79 2.95 3k63A1 ASN 244 HD21 0.02 0.06 -0.06 -0.04 7.03 7.01 3k63A1 ASN 244 HD22 -0.00 -0.04 -0.05 -0.04 7.74 7.61 3k63A1 GLY 245 H 0.02 0.52 -0.19 -0.55 8.43 8.23 3k63A1 GLY 245 HA2 0.04 0.05 0.26 -0.51 4.01 3.85 3k63A1 GLY 245 HA3 0.03 0.09 0.34 -0.51 4.01 3.95 3k63A1 THR 246 H -0.00 -0.07 -0.48 -0.55 8.28 7.18 3k63A1 THR 246 HA 0.04 0.13 0.43 -0.75 4.39 4.23 3k63A1 THR 246 HB -0.11 -0.17 0.03 -0.04 4.32 4.03 3k63A1 THR 246 HG23 0.09 0.02 -0.12 -0.04 1.22 1.17 3k63A1 ILE 247 H 0.09 0.20 0.21 -0.55 8.25 8.20 3k63A1 ILE 247 HA 0.13 0.17 0.82 -0.75 4.18 4.54 3k63A1 ILE 247 HB 0.04 -0.05 0.10 -0.04 1.89 1.93 3k63A1 ILE 247 HG12 0.01 -0.00 -0.01 -0.04 1.49 1.45 3k63A1 ILE 247 HG13 0.06 0.04 -0.10 -0.04 1.21 1.16 3k63A1 ILE 247 HG23 -0.00 0.03 -0.13 -0.04 0.93 0.79 3k63A1 ILE 247 HD13 0.03 -0.01 0.05 -0.04 0.88 0.91 3k63A1 PRO 248 HA -0.12 -0.08 0.41 -0.51 4.44 4.14 3k63A1 PRO 248 HB2 -0.14 0.10 0.15 -0.04 2.28 2.35 3k63A1 PRO 248 HB3 -0.38 -0.12 0.09 -0.04 2.02 1.57 3k63A1 PRO 248 HG2 -0.18 0.31 0.20 -0.04 2.03 2.32 3k63A1 PRO 248 HG3 -0.59 -0.04 0.03 -0.04 2.03 1.39 3k63A1 PRO 248 HD2 0.01 0.18 0.13 -0.04 3.68 3.96 3k63A1 PRO 248 HD3 0.10 0.13 -0.06 -0.04 3.65 3.77 3k63A1 GLY 249 H 0.03 0.08 0.19 -0.55 8.43 8.19 3k63A1 GLY 249 HA2 0.00 -0.02 0.34 -0.51 4.01 3.82 3k63A1 GLY 249 HA3 -0.02 0.14 0.51 -0.51 4.01 4.13 3k63A1 LEU 250 H 0.03 0.44 -0.28 -0.55 8.37 8.01 3k63A1 LEU 250 HA 0.01 0.16 1.07 -0.75 4.35 4.84 3k63A1 LEU 250 HB2 0.01 -0.01 0.02 -0.04 1.64 1.62 3k63A1 LEU 250 HB3 0.01 -0.01 -0.06 -0.04 1.64 1.54 3k63A1 LEU 250 HG -0.02 0.06 -0.23 -0.04 1.64 1.40 3k63A1 LEU 250 HD13 -0.03 -0.01 -0.05 -0.04 0.93 0.81 3k63A1 LEU 250 HD23 -0.01 0.00 0.01 -0.04 0.89 0.86 3k63A1 GLU 251 H 0.01 0.24 0.06 -0.55 8.60 8.36 3k63A1 GLU 251 HA 0.01 0.06 0.18 -0.75 4.29 3.78 3k63A1 GLU 251 HB2 0.02 0.25 0.36 -0.04 2.09 2.68 3k63A1 GLU 251 HB3 0.01 -0.00 0.09 -0.04 1.99 2.05 3k63A1 GLU 251 HG2 0.01 -0.00 -0.05 -0.04 2.34 2.26 3k63A1 GLU 251 HG3 0.01 -0.06 -0.41 -0.04 2.34 1.84