============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TYR 6 0.840 4.950 -2.641 -56.348 -99.200 -91.000 TRP 7 1.040 8.432 -7.765 -50.488 -99.200 -91.000 TRP6 7 1.020 6.362 -8.515 -49.613 -99.200 -91.000 HIS 18 0.900 10.734 -7.629 -36.084 -99.200 -91.000 PHE 28 1.000 6.381 -10.114 -36.582 -99.200 -91.000 TRP 42 1.040 -0.041 -11.181 -41.868 -99.200 -91.000 TRP6 42 1.020 2.225 -10.563 -41.593 -99.200 -91.000 PHE 49 1.000 -0.871 -16.055 -35.567 -99.200 -91.000 HIS 53 0.900 -3.415 -21.267 -34.892 -99.200 -91.000 TYR 58 0.840 -4.258 -13.314 -36.168 -99.200 -91.000 HIS 64 0.900 -1.809 1.576 -41.333 -99.200 -91.000 TRP 65 1.040 -0.096 -3.335 -47.534 -99.200 -91.000 TRP6 65 1.020 -1.219 -4.826 -48.996 -99.200 -91.000 TYR 80 0.840 4.456 -15.184 -35.500 -99.200 -91.000 TYR 88 0.840 -1.686 -9.898 -63.895 -99.200 -91.000 HIS 93 0.900 10.504 -10.275 -45.069 -99.200 -91.000 TYR 95 0.840 8.891 -9.332 -40.771 -99.200 -91.000 HIS 96 0.900 13.305 -16.242 -38.660 -99.200 -91.000 HIS 105 0.900 12.706 -7.038 -6.483 -99.200 -91.000 PHE 127 1.000 30.881 -16.395 6.989 -99.200 -91.000 TYR 132 0.840 16.203 -13.763 -10.689 -99.200 -91.000 HIS 138 0.900 30.298 -4.403 -7.283 -99.200 -91.000 TRP 141 1.040 31.614 -12.326 -0.202 -99.200 -91.000 TRP6 141 1.020 30.081 -13.524 1.138 -99.200 -91.000 HIS 144 0.900 28.094 -5.174 9.550 -99.200 -91.000 TYR 152 0.840 24.922 -0.176 14.228 -99.200 -91.000 TYR 159 0.840 33.941 3.829 12.566 -99.200 -91.000 TYR 179 0.840 36.508 -20.794 -0.413 -99.200 -91.000 PHE 185 1.000 40.101 -16.233 20.279 -99.200 -91.000 TYR 191 0.840 33.252 -12.356 8.318 -99.200 -91.000 PHE 203 1.000 21.825 -4.993 4.287 -99.200 -91.000 HIS 204 0.900 19.664 -12.508 2.385 -99.200 -91.000 TRP 207 1.040 27.494 -11.741 14.407 -99.200 -91.000 TRP6 207 1.020 25.519 -10.472 14.099 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1iilH1 ASN 150 HA -0.03 -0.03 0.15 -0.75 4.76 4.10 1iilH1 LYS 151 H -0.04 0.07 0.10 -0.55 8.42 8.00 1iilH1 LYS 151 HA 0.07 0.09 0.62 -0.75 4.32 4.34 1iilH1 ARG 152 H 0.12 0.45 0.40 -0.55 8.46 8.87 1iilH1 ARG 152 HA -0.18 0.05 0.56 -0.75 4.34 4.01 1iilH1 ARG 152 HB2 -0.09 -0.02 0.06 -0.04 1.90 1.81 1iilH1 ARG 152 HB3 -0.10 0.10 -0.20 -0.04 1.80 1.56 1iilH1 ARG 152 HG2 0.02 0.02 -0.12 -0.04 1.67 1.55 1iilH1 ARG 152 HG3 0.06 0.06 -0.17 -0.04 1.67 1.57 1iilH1 ARG 152 HD2 -0.12 0.00 -0.16 -0.04 3.22 2.90 1iilH1 ARG 152 HD3 -0.08 -0.04 -0.13 -0.04 3.22 2.93 1iilH1 ALA 153 H -0.02 0.11 0.09 -0.55 8.40 8.04 1iilH1 ALA 153 HA 0.13 -0.06 0.28 -0.75 4.34 3.93 1iilH1 ALA 153 HB3 0.00 0.04 -0.03 -0.04 1.41 1.38 1iilH1 PRO 154 HA -0.10 0.37 0.57 -0.51 4.44 4.77 1iilH1 PRO 154 HB2 -0.35 -0.03 -0.14 -0.04 2.28 1.72 1iilH1 PRO 154 HB3 -0.26 0.03 -0.05 -0.04 2.02 1.70 1iilH1 PRO 154 HG2 -0.11 0.16 -0.06 -0.04 2.03 1.98 1iilH1 PRO 154 HG3 -0.06 -0.01 -0.07 -0.04 2.03 1.84 1iilH1 PRO 154 HD2 -0.09 0.05 -0.09 -0.04 3.68 3.51 1iilH1 PRO 154 HD3 -0.01 -0.02 0.05 -0.04 3.65 3.64 1iilH1 TYR 155 H -0.40 0.43 0.30 -0.55 8.29 8.07 1iilH1 TYR 155 HA -0.54 0.08 0.55 -0.75 4.56 3.90 1iilH1 TYR 155 HB2 -0.17 -0.02 0.01 -0.04 3.06 2.84 1iilH1 TYR 155 HB3 -0.18 0.12 -0.25 -0.04 2.98 2.63 1iilH1 TYR 155 HD2 -0.09 0.18 -0.28 -0.04 7.15 6.93 1iilH1 TYR 155 HE2 -0.03 -0.02 -0.22 -0.04 6.85 6.54 1iilH1 TRP 156 H -0.29 0.13 0.08 -0.55 7.97 7.34 1iilH1 TRP 156 HA -0.29 0.29 0.61 -0.75 4.62 4.48 1iilH1 TRP 156 HB2 -0.07 -0.05 0.08 -0.04 3.23 3.15 1iilH1 TRP 156 HB3 -0.13 -0.04 -0.10 -0.04 3.23 2.92 1iilH1 TRP 156 HD1 -0.08 -0.02 -0.00 -0.04 7.22 7.08 1iilH1 TRP 156 HE1 -0.07 0.05 -0.06 -0.04 10.20 10.08 1iilH1 TRP 156 HE3 -0.29 0.22 -0.34 -0.04 7.59 7.14 1iilH1 TRP 156 HZ2 -0.08 -0.03 -0.43 -0.04 7.44 6.86 1iilH1 TRP 156 HZ3 -0.25 0.12 -0.20 -0.04 7.13 6.77 1iilH1 TRP 156 HH2 -0.16 0.02 -0.20 -0.04 7.19 6.81 1iilH1 THR 157 H -0.07 0.72 0.13 -0.55 8.28 8.51 1iilH1 THR 157 HA 0.03 0.15 0.57 -0.75 4.39 4.39 1iilH1 THR 157 HB -0.01 -0.03 -0.01 -0.04 4.32 4.23 1iilH1 THR 157 HG23 -0.38 0.02 -0.30 -0.04 1.22 0.51 1iilH1 ASN 158 H 0.05 0.21 -0.24 -0.55 8.53 7.99 1iilH1 ASN 158 HA 0.04 0.13 0.65 -0.75 4.76 4.83 1iilH1 ASN 158 HB2 0.04 0.14 -0.21 -0.04 2.88 2.81 1iilH1 ASN 158 HB3 0.03 0.04 0.10 -0.04 2.79 2.91 1iilH1 ASN 158 HD21 0.03 -0.00 0.01 -0.04 7.03 7.03 1iilH1 ASN 158 HD22 0.04 0.07 -0.00 -0.04 7.74 7.81 1iilH1 THR 159 H 0.05 0.27 -0.05 -0.55 8.28 8.00 1iilH1 THR 159 HA -0.12 0.14 0.33 -0.75 4.39 3.98 1iilH1 THR 159 HB -0.01 0.04 0.04 -0.04 4.32 4.35 1iilH1 THR 159 HG23 0.11 0.03 -0.02 -0.04 1.22 1.30 1iilH1 GLU 160 H 0.01 0.06 -0.38 -0.55 8.60 7.75 1iilH1 GLU 160 HA 0.01 0.10 0.44 -0.75 4.29 4.09 1iilH1 LYS 161 H 0.01 0.19 -0.14 -0.55 8.42 7.92 1iilH1 LYS 161 HA 0.04 0.06 0.42 -0.75 4.32 4.09 1iilH1 LYS 161 HB2 0.03 0.13 0.03 -0.04 1.87 2.02 1iilH1 LYS 161 HB3 0.05 0.02 0.12 -0.04 1.79 1.94 1iilH1 LYS 161 HG2 0.03 0.00 0.02 -0.04 1.46 1.47 1iilH1 LYS 161 HG3 0.03 -0.11 0.04 -0.04 1.46 1.38 1iilH1 LYS 161 HD2 0.05 0.02 0.01 -0.04 1.69 1.73 1iilH1 LYS 161 HD3 0.05 0.02 -0.00 -0.04 1.68 1.71 1iilH1 LYS 161 HE2 0.02 -0.01 -0.01 -0.04 2.99 2.96 1iilH1 LYS 161 HE3 0.03 -0.03 -0.00 -0.04 2.99 2.95 1iilH1 MET 162 H -0.03 0.17 -0.85 -0.55 8.47 7.21 1iilH1 MET 162 HA 0.22 0.27 0.93 -0.75 4.52 5.18 1iilH1 MET 162 HB2 -0.39 -0.01 0.02 -0.04 2.15 1.74 1iilH1 MET 162 HB3 -0.85 -0.02 0.08 -0.04 2.03 1.19 1iilH1 MET 162 HG2 -0.25 0.29 0.05 -0.04 2.63 2.68 1iilH1 MET 162 HG3 -0.18 -0.06 -0.23 -0.04 2.56 2.04 1iilH1 MET 162 HE3 -2.20 0.01 -0.04 -0.04 2.10 -0.17 1iilH1 GLU 163 H 0.03 0.31 -0.04 -0.55 8.60 8.35 1iilH1 GLU 163 HA 0.05 0.03 0.43 -0.75 4.29 4.05 1iilH1 GLU 163 HB2 0.04 0.09 0.18 -0.04 2.09 2.36 1iilH1 GLU 163 HB3 0.04 -0.07 0.06 -0.04 1.99 1.98 1iilH1 GLU 163 HG2 0.02 -0.05 0.06 -0.04 2.34 2.33 1iilH1 GLU 163 HG3 0.00 0.30 0.17 -0.04 2.34 2.76 1iilH1 LYS 164 H 0.13 0.14 -0.31 -0.55 8.42 7.83 1iilH1 LYS 164 HA 0.07 -0.02 0.53 -0.75 4.32 4.15 1iilH1 LYS 164 HB2 0.00 -0.04 0.07 -0.04 1.87 1.86 1iilH1 LYS 164 HB3 0.07 0.06 0.10 -0.04 1.79 1.98 1iilH1 LYS 164 HG2 -0.29 0.06 -0.31 -0.04 1.46 0.88 1iilH1 LYS 164 HG3 -0.11 -0.04 0.02 -0.04 1.46 1.29 1iilH1 LYS 164 HD2 -0.18 -0.04 0.02 -0.04 1.69 1.45 1iilH1 LYS 164 HD3 -0.82 0.01 -0.03 -0.04 1.68 0.80 1iilH1 LYS 164 HE2 -0.41 0.08 0.10 -0.04 2.99 2.72 1iilH1 LYS 164 HE3 -0.17 -0.03 0.06 -0.04 2.99 2.81 1iilH1 ARG 165 H 0.15 0.13 0.27 -0.55 8.46 8.46 1iilH1 ARG 165 HA 0.37 0.21 0.65 -0.75 4.34 4.81 1iilH1 ARG 165 HB2 0.14 -0.08 0.22 -0.04 1.90 2.14 1iilH1 ARG 165 HB3 0.21 -0.05 0.07 -0.04 1.80 1.99 1iilH1 ARG 165 HG2 0.02 0.10 0.07 -0.04 1.67 1.83 1iilH1 ARG 165 HG3 0.11 0.11 0.09 -0.04 1.67 1.95 1iilH1 ARG 165 HD2 0.09 -0.06 0.07 -0.04 3.22 3.27 1iilH1 ARG 165 HD3 -0.05 0.00 0.10 -0.04 3.22 3.23 1iilH1 LEU 166 H 0.15 0.06 0.11 -0.55 8.37 8.14 1iilH1 LEU 166 HA 0.30 0.21 0.96 -0.75 4.35 5.07 1iilH1 LEU 166 HB2 0.12 -0.02 0.06 -0.04 1.64 1.75 1iilH1 LEU 166 HB3 0.08 -0.04 0.17 -0.04 1.64 1.81 1iilH1 LEU 166 HG 0.09 -0.03 -0.40 -0.04 1.64 1.25 1iilH1 LEU 166 HD13 0.14 0.06 -0.17 -0.04 0.93 0.92 1iilH1 LEU 166 HD23 0.03 -0.01 -0.06 -0.04 0.89 0.81 1iilH1 HIS 167 H 0.39 0.82 0.33 -0.55 8.41 9.41 1iilH1 HIS 167 HA 0.07 0.12 0.85 -0.75 4.63 4.91 1iilH1 HIS 167 HB2 0.26 0.03 0.19 -0.04 3.26 3.70 1iilH1 HIS 167 HB3 0.04 -0.04 -0.01 -0.04 3.20 3.14 1iilH1 HIS 167 HD2 -0.10 -0.06 0.00 -0.04 6.97 6.77 1iilH1 HIS 167 HE1 0.03 0.40 0.03 -0.04 7.75 8.17 1iilH1 ALA 168 H 0.03 0.25 0.07 -0.55 8.40 8.20 1iilH1 ALA 168 HA 0.08 0.22 0.92 -0.75 4.34 4.80 1iilH1 ALA 168 HB3 0.04 -0.01 -0.01 -0.04 1.41 1.39 1iilH1 VAL 169 H 0.04 0.75 0.32 -0.55 8.24 8.79 1iilH1 VAL 169 HA 0.01 0.21 0.99 -0.75 4.13 4.59 1iilH1 VAL 169 HB -0.01 0.05 0.00 -0.04 2.12 2.12 1iilH1 VAL 169 HG13 0.01 -0.01 -0.34 -0.04 0.97 0.59 1iilH1 VAL 169 HG23 -0.01 0.01 -0.22 -0.04 0.95 0.69 1iilH1 PRO 170 HA 0.01 0.30 0.65 -0.51 4.44 4.89 1iilH1 PRO 170 HB2 -0.00 0.05 0.03 -0.04 2.28 2.32 1iilH1 PRO 170 HB3 0.01 -0.01 0.12 -0.04 2.02 2.10 1iilH1 PRO 170 HG2 -0.00 0.03 0.08 -0.04 2.03 2.09 1iilH1 PRO 170 HG3 0.00 0.03 0.05 -0.04 2.03 2.07 1iilH1 PRO 170 HD2 -0.01 0.08 0.19 -0.04 3.68 3.91 1iilH1 PRO 170 HD3 -0.00 0.17 0.26 -0.04 3.65 4.04 1iilH1 ALA 171 H 0.01 0.42 0.19 -0.55 8.40 8.48 1iilH1 ALA 171 HA 0.01 0.09 0.28 -0.75 4.34 3.96 1iilH1 ALA 171 HB3 0.02 -0.02 0.05 -0.04 1.41 1.41 1iilH1 ALA 172 H 0.00 0.78 0.17 -0.55 8.40 8.81 1iilH1 ALA 172 HA -0.00 -0.01 0.30 -0.75 4.34 3.87 1iilH1 ALA 172 HB3 -0.00 0.05 0.13 -0.04 1.41 1.55 1iilH1 ASN 173 H -0.02 0.39 -0.30 -0.55 8.53 8.05 1iilH1 ASN 173 HA -0.03 0.09 0.67 -0.75 4.76 4.74 1iilH1 ASN 173 HB2 -0.03 0.19 0.01 -0.04 2.88 3.01 1iilH1 ASN 173 HB3 -0.04 0.09 0.03 -0.04 2.79 2.82 1iilH1 ASN 173 HD21 -0.02 -0.05 0.03 -0.04 7.03 6.96 1iilH1 ASN 173 HD22 -0.02 0.02 0.05 -0.04 7.74 7.74 1iilH1 THR 174 H -0.05 0.13 0.19 -0.55 8.28 8.00 1iilH1 THR 174 HA -0.08 0.17 0.83 -0.75 4.39 4.55 1iilH1 THR 174 HB -0.07 -0.01 0.08 -0.04 4.32 4.28 1iilH1 THR 174 HG23 -0.10 0.00 -0.24 -0.04 1.22 0.85 1iilH1 VAL 175 H -0.18 0.75 0.33 -0.55 8.24 8.59 1iilH1 VAL 175 HA -0.26 0.16 0.90 -0.75 4.13 4.17 1iilH1 VAL 175 HB -0.37 -0.01 0.08 -0.04 2.12 1.78 1iilH1 VAL 175 HG13 -0.95 0.00 -0.20 -0.04 0.97 -0.23 1iilH1 VAL 175 HG23 -0.16 0.01 -0.25 -0.04 0.95 0.51 1iilH1 LYS 176 H -0.42 0.25 0.11 -0.55 8.42 7.80 1iilH1 LYS 176 HA -0.39 0.32 1.05 -0.75 4.32 4.54 1iilH1 LYS 176 HB2 -0.17 -0.05 -0.20 -0.04 1.87 1.41 1iilH1 LYS 176 HB3 -0.17 -0.00 0.06 -0.04 1.79 1.64 1iilH1 LYS 176 HG2 -0.09 0.04 -0.31 -0.04 1.46 1.06 1iilH1 LYS 176 HG3 -0.12 -0.00 -0.13 -0.04 1.46 1.16 1iilH1 LYS 176 HD2 -0.07 -0.04 -0.12 -0.04 1.69 1.42 1iilH1 LYS 176 HD3 -0.07 -0.00 -0.10 -0.04 1.68 1.47 1iilH1 LYS 176 HE2 -0.00 0.06 -0.16 -0.04 2.99 2.85 1iilH1 LYS 176 HE3 -0.01 -0.05 -0.13 -0.04 2.99 2.76 1iilH1 PHE 177 H -0.40 0.63 0.32 -0.55 8.34 8.34 1iilH1 PHE 177 HA -0.50 0.22 0.97 -0.75 4.62 4.56 1iilH1 PHE 177 HB2 -0.55 -0.08 0.11 -0.04 3.15 2.59 1iilH1 PHE 177 HB3 0.05 0.06 -0.02 -0.04 3.06 3.11 1iilH1 PHE 177 HD2 -0.94 0.04 -0.04 -0.04 7.28 6.30 1iilH1 PHE 177 HE2 -1.00 0.02 -0.12 -0.04 7.38 6.24 1iilH1 PHE 177 HZ -0.28 -0.00 -0.16 -0.04 7.32 6.84 1iilH1 ARG 178 H 0.14 0.30 0.19 -0.55 8.46 8.53 1iilH1 ARG 178 HA 0.42 0.33 1.09 -0.75 4.34 5.42 1iilH1 ARG 178 HB2 0.14 0.01 0.01 -0.04 1.90 2.02 1iilH1 ARG 178 HB3 0.21 0.06 -0.02 -0.04 1.80 2.01 1iilH1 ARG 178 HG2 0.12 0.02 -0.35 -0.04 1.67 1.42 1iilH1 ARG 178 HG3 0.04 -0.01 -0.34 -0.04 1.67 1.32 1iilH1 ARG 178 HD2 0.02 -0.07 -0.11 -0.04 3.22 3.03 1iilH1 ARG 178 HD3 0.06 -0.03 -0.06 -0.04 3.22 3.15 1iilH1 CYS 179 H 0.43 0.60 0.09 -0.55 8.50 9.07 1iilH1 CYS 179 HA -0.28 0.13 0.63 -0.75 4.58 4.31 1iilH1 CYS 179 HB2 0.10 -0.01 0.07 -0.04 2.97 3.10 1iilH1 CYS 179 HB3 -0.59 -0.04 0.01 -0.04 2.97 2.32 1iilH1 PRO 180 HA -0.16 0.08 0.40 -0.51 4.44 4.25 1iilH1 PRO 180 HB2 0.00 -0.22 0.08 -0.04 2.28 2.10 1iilH1 PRO 180 HB3 0.09 0.09 0.02 -0.04 2.02 2.18 1iilH1 PRO 180 HG2 0.07 0.01 0.01 -0.04 2.03 2.08 1iilH1 PRO 180 HG3 0.19 0.14 -0.01 -0.04 2.03 2.32 1iilH1 PRO 180 HD2 -0.05 0.09 -0.02 -0.04 3.68 3.65 1iilH1 PRO 180 HD3 0.09 0.12 -0.43 -0.04 3.65 3.39 1iilH1 ALA 181 H -2.18 0.20 0.26 -0.55 8.40 6.14 1iilH1 ALA 181 HA -0.47 0.20 1.15 -0.75 4.34 4.46 1iilH1 ALA 181 HB3 -1.01 0.01 -0.02 -0.04 1.41 0.35 1iilH1 GLY 182 H -0.81 0.46 0.38 -0.55 8.43 7.91 1iilH1 GLY 182 HA2 -0.21 0.15 0.72 -0.51 4.01 4.16 1iilH1 GLY 182 HA3 -0.65 0.00 0.29 -0.51 4.01 3.15 1iilH1 GLY 183 H 0.09 0.20 0.12 -0.55 8.43 8.29 1iilH1 GLY 183 HA2 0.21 0.09 0.19 -0.51 4.01 3.99 1iilH1 GLY 183 HA3 0.06 0.13 0.48 -0.51 4.01 4.16 1iilH1 ASN 184 H 0.13 0.48 0.16 -0.55 8.53 8.75 1iilH1 ASN 184 HA 0.10 -0.03 0.66 -0.75 4.76 4.73 1iilH1 ASN 184 HB2 0.09 0.03 -0.10 -0.04 2.88 2.86 1iilH1 ASN 184 HB3 0.08 0.04 0.27 -0.04 2.79 3.14 1iilH1 ASN 184 HD21 0.06 -0.03 -0.05 -0.04 7.03 6.97 1iilH1 ASN 184 HD22 0.07 -0.04 0.08 -0.04 7.74 7.81 1iilH1 PRO 185 HA 0.07 0.06 0.35 -0.51 4.44 4.42 1iilH1 PRO 185 HB2 0.03 0.12 -0.02 -0.04 2.28 2.36 1iilH1 PRO 185 HB3 0.03 0.02 0.11 -0.04 2.02 2.14 1iilH1 PRO 185 HG2 -0.03 -0.03 -0.00 -0.04 2.03 1.93 1iilH1 PRO 185 HG3 -0.05 0.01 0.08 -0.04 2.03 2.03 1iilH1 PRO 185 HD2 -0.00 0.08 0.45 -0.04 3.68 4.16 1iilH1 PRO 185 HD3 0.07 0.08 0.18 -0.04 3.65 3.94 1iilH1 MET 186 H 0.07 0.04 0.10 -0.55 8.47 8.14 1iilH1 MET 186 HA 0.14 0.20 0.34 -0.75 4.52 4.45 1iilH1 MET 186 HB2 0.10 -0.05 0.16 -0.04 2.15 2.32 1iilH1 MET 186 HB3 0.09 -0.07 0.14 -0.04 2.03 2.15 1iilH1 MET 186 HG2 0.12 -0.09 0.00 -0.04 2.63 2.62 1iilH1 MET 186 HG3 0.24 0.20 -0.16 -0.04 2.56 2.80 1iilH1 MET 186 HE3 0.17 -0.03 0.05 -0.04 2.10 2.25 1iilH1 PRO 187 HA 0.07 0.13 0.47 -0.51 4.44 4.59 1iilH1 PRO 187 HB2 0.02 -0.02 -0.04 -0.04 2.28 2.20 1iilH1 PRO 187 HB3 -0.01 -0.06 -0.22 -0.04 2.02 1.68 1iilH1 PRO 187 HG2 -0.03 -0.02 -0.13 -0.04 2.03 1.81 1iilH1 PRO 187 HG3 -0.14 0.10 -0.14 -0.04 2.03 1.82 1iilH1 PRO 187 HD2 0.12 0.01 -0.03 -0.04 3.68 3.75 1iilH1 PRO 187 HD3 0.05 0.20 -0.08 -0.04 3.65 3.78 1iilH1 THR 188 H 0.08 0.57 0.41 -0.55 8.28 8.78 1iilH1 THR 188 HA 0.14 0.13 0.79 -0.75 4.39 4.70 1iilH1 THR 188 HB 0.07 -0.02 0.09 -0.04 4.32 4.42 1iilH1 THR 188 HG23 0.04 0.00 0.03 -0.04 1.22 1.26 1iilH1 MET 189 H 0.14 0.17 0.20 -0.55 8.47 8.43 1iilH1 MET 189 HA 0.11 0.38 1.08 -0.75 4.52 5.34 1iilH1 MET 189 HB2 0.54 0.06 -0.14 -0.04 2.15 2.57 1iilH1 MET 189 HB3 0.26 -0.08 0.03 -0.04 2.03 2.20 1iilH1 MET 189 HG2 -0.03 -0.06 -0.40 -0.04 2.63 2.11 1iilH1 MET 189 HG3 -0.10 0.02 -0.08 -0.04 2.56 2.35 1iilH1 MET 189 HE3 0.20 0.03 -0.08 -0.04 2.10 2.21 1iilH1 ARG 190 H -0.07 0.54 0.31 -0.55 8.46 8.69 1iilH1 ARG 190 HA 0.15 0.14 0.89 -0.75 4.34 4.77 1iilH1 ARG 190 HB2 0.01 -0.01 -0.00 -0.04 1.90 1.86 1iilH1 ARG 190 HB3 0.09 -0.01 0.03 -0.04 1.80 1.87 1iilH1 ARG 190 HG2 0.07 0.07 -0.33 -0.04 1.67 1.44 1iilH1 ARG 190 HG3 0.03 0.07 -0.19 -0.04 1.67 1.54 1iilH1 ARG 190 HD2 0.07 -0.01 -0.04 -0.04 3.22 3.19 1iilH1 ARG 190 HD3 0.04 -0.01 -0.09 -0.04 3.22 3.12 1iilH1 TRP 191 H 0.36 0.17 0.17 -0.55 7.97 8.13 1iilH1 TRP 191 HA 0.11 0.40 1.18 -0.75 4.62 5.56 1iilH1 TRP 191 HB2 0.13 -0.04 0.05 -0.04 3.23 3.33 1iilH1 TRP 191 HB3 0.17 0.06 -0.08 -0.04 3.23 3.33 1iilH1 TRP 191 HD1 0.14 -0.03 -0.24 -0.04 7.22 7.05 1iilH1 TRP 191 HE1 0.18 -0.01 -0.39 -0.04 10.20 9.94 1iilH1 TRP 191 HE3 0.14 0.03 -0.27 -0.04 7.59 7.45 1iilH1 TRP 191 HZ2 0.23 0.18 -0.26 -0.04 7.44 7.55 1iilH1 TRP 191 HZ3 0.16 0.05 -0.25 -0.04 7.13 7.05 1iilH1 TRP 191 HH2 0.31 -0.00 -0.40 -0.04 7.19 7.06 1iilH1 LEU 192 H 0.19 0.75 0.37 -0.55 8.37 9.12 1iilH1 LEU 192 HA 0.16 0.20 0.93 -0.75 4.35 4.87 1iilH1 LEU 192 HB2 -0.01 -0.14 -0.08 -0.04 1.64 1.37 1iilH1 LEU 192 HB3 0.01 0.03 -0.35 -0.04 1.64 1.29 1iilH1 LEU 192 HG 0.02 0.05 -0.32 -0.04 1.64 1.34 1iilH1 LEU 192 HD13 -0.00 0.03 -0.28 -0.04 0.93 0.63 1iilH1 LEU 192 HD23 0.08 0.02 -0.49 -0.04 0.89 0.46 1iilH1 LYS 193 H -0.04 0.81 0.14 -0.55 8.42 8.78 1iilH1 LYS 193 HA -0.72 0.33 1.05 -0.75 4.32 4.22 1iilH1 LYS 193 HB2 -1.14 -0.04 -0.02 -0.04 1.87 0.63 1iilH1 LYS 193 HB3 -0.27 0.01 0.11 -0.04 1.79 1.60 1iilH1 LYS 193 HG2 -0.41 -0.03 -0.17 -0.04 1.46 0.81 1iilH1 LYS 193 HG3 -1.13 0.06 0.01 -0.04 1.46 0.36 1iilH1 LYS 193 HD2 -0.49 -0.03 -0.06 -0.04 1.69 1.07 1iilH1 LYS 193 HD3 -0.16 -0.05 -0.02 -0.04 1.68 1.41 1iilH1 LYS 193 HE2 -0.14 -0.06 -0.01 -0.04 2.99 2.74 1iilH1 LYS 193 HE3 -0.12 0.12 -0.10 -0.04 2.99 2.86 1iilH1 ASN 194 H -0.36 0.73 0.27 -0.55 8.53 8.62 1iilH1 ASN 194 HA -0.14 -0.03 0.38 -0.75 4.76 4.21 1iilH1 ASN 194 HB2 -0.14 0.19 -0.04 -0.04 2.88 2.85 1iilH1 ASN 194 HB3 -0.09 -0.01 0.23 -0.04 2.79 2.87 1iilH1 ASN 194 HD21 -0.15 0.15 0.06 -0.04 7.03 7.05 1iilH1 ASN 194 HD22 -0.16 0.04 -0.08 -0.04 7.74 7.50 1iilH1 GLY 195 H -0.11 0.06 -0.29 -0.55 8.43 7.55 1iilH1 GLY 195 HA2 -0.04 -0.03 0.19 -0.51 4.01 3.62 1iilH1 GLY 195 HA3 -0.04 0.08 0.32 -0.51 4.01 3.87 1iilH1 LYS 196 H -0.04 0.47 -0.61 -0.55 8.42 7.69 1iilH1 LYS 196 HA 0.03 0.15 0.95 -0.75 4.32 4.70 1iilH1 GLU 197 H 0.10 0.10 0.12 -0.55 8.60 8.36 1iilH1 GLU 197 HA 0.16 0.08 0.39 -0.75 4.29 4.18 1iilH1 GLU 197 HB2 0.11 0.00 0.11 -0.04 2.09 2.27 1iilH1 GLU 197 HB3 0.15 -0.03 0.06 -0.04 1.99 2.13 1iilH1 GLU 197 HG2 0.17 0.05 -0.32 -0.04 2.34 2.20 1iilH1 GLU 197 HG3 0.14 0.02 0.02 -0.04 2.34 2.48 1iilH1 PHE 198 H 0.34 0.39 0.30 -0.55 8.34 8.81 1iilH1 PHE 198 HA 0.39 0.13 0.77 -0.75 4.62 5.15 1iilH1 PHE 198 HB2 0.12 -0.06 -0.17 -0.04 3.15 3.01 1iilH1 PHE 198 HB3 0.05 -0.00 0.08 -0.04 3.06 3.14 1iilH1 PHE 198 HD2 0.04 -0.04 -0.07 -0.04 7.28 7.18 1iilH1 PHE 198 HE2 0.04 0.00 -0.17 -0.04 7.38 7.21 1iilH1 PHE 198 HZ 0.22 0.03 -0.18 -0.04 7.32 7.34 1iilH1 LYS 199 H -0.21 0.20 0.11 -0.55 8.42 7.97 1iilH1 LYS 199 HA -0.04 0.20 0.81 -0.75 4.32 4.54 1iilH1 LYS 199 HB2 -1.05 0.01 0.03 -0.04 1.87 0.82 1iilH1 LYS 199 HB3 -0.26 -0.11 0.08 -0.04 1.79 1.46 1iilH1 LYS 199 HG2 -0.05 0.03 -0.10 -0.04 1.46 1.30 1iilH1 LYS 199 HG3 -0.11 0.10 -0.14 -0.04 1.46 1.27 1iilH1 LYS 199 HD2 -0.09 0.02 -0.03 -0.04 1.69 1.55 1iilH1 LYS 199 HD3 -0.08 -0.03 -0.00 -0.04 1.68 1.52 1iilH1 LYS 199 HE2 0.03 0.01 -0.02 -0.04 2.99 2.96 1iilH1 LYS 199 HE3 0.02 -0.00 -0.03 -0.04 2.99 2.93 1iilH1 GLN 200 H -0.21 0.18 0.17 -0.55 8.47 8.06 1iilH1 GLN 200 HA -0.51 0.08 0.41 -0.75 4.36 3.59 1iilH1 GLN 200 HB2 -0.20 -0.04 0.16 -0.04 2.15 2.03 1iilH1 GLN 200 HB3 -0.23 0.05 0.03 -0.04 2.02 1.83 1iilH1 GLN 200 HG2 -0.43 -0.01 0.12 -0.04 2.40 2.04 1iilH1 GLN 200 HG3 -0.27 0.03 0.08 -0.04 2.39 2.19 1iilH1 GLN 200 HE21 -0.94 0.49 0.13 -0.04 6.97 6.60 1iilH1 GLN 200 HE22 -0.80 -0.04 0.03 -0.04 7.69 6.84 1iilH1 GLU 201 H -0.15 0.04 -0.18 -0.55 8.60 7.76 1iilH1 GLU 201 HA -0.02 0.14 0.44 -0.75 4.29 4.10 1iilH1 GLU 201 HB2 0.01 0.03 0.09 -0.04 2.09 2.19 1iilH1 GLU 201 HB3 -0.04 -0.05 0.07 -0.04 1.99 1.93 1iilH1 GLU 201 HG2 -0.00 0.04 -0.32 -0.04 2.34 2.02 1iilH1 GLU 201 HG3 0.07 0.03 -0.12 -0.04 2.34 2.28 1iilH1 HIS 202 H -0.01 0.36 -0.61 -0.55 8.41 7.61 1iilH1 HIS 202 HA 0.12 0.04 0.38 -0.75 4.63 4.42 1iilH1 HIS 202 HB2 0.31 0.21 0.06 -0.04 3.26 3.80 1iilH1 HIS 202 HB3 0.38 0.03 0.06 -0.04 3.20 3.62 1iilH1 HIS 202 HD2 0.10 0.03 -0.15 -0.04 6.97 6.91 1iilH1 HIS 202 HE1 0.15 0.26 0.07 -0.04 7.75 8.18 1iilH1 ARG 203 H 0.14 0.34 -0.33 -0.55 8.46 8.06 1iilH1 ARG 203 HA 0.14 0.11 0.59 -0.75 4.34 4.42 1iilH1 ARG 203 HB2 0.16 -0.04 0.04 -0.04 1.90 2.03 1iilH1 ARG 203 HB3 0.31 0.03 -0.28 -0.04 1.80 1.83 1iilH1 ARG 203 HG2 0.16 -0.12 -0.16 -0.04 1.67 1.51 1iilH1 ARG 203 HG3 0.10 0.17 -0.42 -0.04 1.67 1.48 1iilH1 ARG 203 HD2 0.42 -0.07 -0.17 -0.04 3.22 3.37 1iilH1 ARG 203 HD3 0.21 0.15 -0.17 -0.04 3.22 3.37 1iilH1 ILE 204 H 0.07 0.00 0.10 -0.55 8.25 7.87 1iilH1 ILE 204 HA 0.03 0.02 0.48 -0.75 4.18 3.95 1iilH1 ILE 204 HB 0.03 0.05 0.11 -0.04 1.89 2.04 1iilH1 ILE 204 HG12 0.03 0.01 0.04 -0.04 1.49 1.53 1iilH1 ILE 204 HG13 0.04 0.02 0.03 -0.04 1.21 1.26 1iilH1 ILE 204 HG23 0.01 0.00 -0.02 -0.04 0.93 0.89 1iilH1 ILE 204 HD13 0.05 0.02 0.10 -0.04 0.88 1.01 1iilH1 GLY 205 H -0.01 0.09 0.21 -0.55 8.43 8.17 1iilH1 GLY 205 HA2 -0.03 -0.06 0.34 -0.51 4.01 3.75 1iilH1 GLY 205 HA3 -0.01 0.14 0.52 -0.51 4.01 4.15 1iilH1 GLY 206 H -0.01 0.40 -0.39 -0.55 8.43 7.89 1iilH1 GLY 206 HA2 -0.09 0.21 0.40 -0.51 4.01 4.02 1iilH1 GLY 206 HA3 -0.20 -0.10 0.44 -0.51 4.01 3.64 1iilH1 TYR 207 H -0.60 0.11 0.25 -0.55 8.29 7.50 1iilH1 TYR 207 HA -0.09 0.21 0.84 -0.75 4.56 4.78 1iilH1 TYR 207 HB2 -0.11 0.06 0.08 -0.04 3.06 3.06 1iilH1 TYR 207 HB3 -0.10 0.05 -0.18 -0.04 2.98 2.70 1iilH1 TYR 207 HD2 -0.47 0.03 -0.36 -0.04 7.15 6.30 1iilH1 TYR 207 HE2 -0.45 -0.02 -0.50 -0.04 6.85 5.84 1iilH1 LYS 208 H 0.07 0.66 0.37 -0.55 8.42 8.97 1iilH1 LYS 208 HA -0.04 0.16 0.99 -0.75 4.32 4.69 1iilH1 LYS 208 HB2 -0.03 -0.02 0.05 -0.04 1.87 1.84 1iilH1 LYS 208 HB3 -0.02 -0.02 -0.01 -0.04 1.79 1.70 1iilH1 LYS 208 HG2 -0.06 0.04 -0.04 -0.04 1.46 1.36 1iilH1 LYS 208 HG3 -0.05 0.02 -0.34 -0.04 1.46 1.05 1iilH1 LYS 208 HD2 -0.03 -0.03 -0.08 -0.04 1.69 1.50 1iilH1 LYS 208 HD3 -0.03 -0.02 -0.05 -0.04 1.68 1.53 1iilH1 LYS 208 HE2 -0.04 -0.00 -0.04 -0.04 2.99 2.86 1iilH1 LYS 208 HE3 -0.04 0.06 -0.08 -0.04 2.99 2.88 1iilH1 VAL 209 H 0.01 0.24 0.19 -0.55 8.24 8.13 1iilH1 VAL 209 HA 0.00 0.37 1.04 -0.75 4.13 4.79 1iilH1 VAL 209 HB 0.10 -0.04 0.09 -0.04 2.12 2.24 1iilH1 VAL 209 HG13 0.14 -0.00 -0.23 -0.04 0.97 0.84 1iilH1 VAL 209 HG23 0.14 0.02 -0.15 -0.04 0.95 0.92 1iilH1 ARG 210 H 0.03 0.47 0.08 -0.55 8.46 8.49 1iilH1 ARG 210 HA -0.06 0.17 0.89 -0.75 4.34 4.59 1iilH1 ARG 210 HB2 0.04 0.07 -0.02 -0.04 1.90 1.95 1iilH1 ARG 210 HB3 0.03 -0.11 0.13 -0.04 1.80 1.82 1iilH1 ARG 210 HG2 -0.04 0.08 0.02 -0.04 1.67 1.69 1iilH1 ARG 210 HG3 0.06 0.06 -0.03 -0.04 1.67 1.72 1iilH1 ARG 210 HD2 -0.55 0.06 -0.05 -0.04 3.22 2.64 1iilH1 ARG 210 HD3 -0.29 -0.25 -0.09 -0.04 3.22 2.56 1iilH1 ASN 211 H -0.11 0.27 0.04 -0.55 8.53 8.18 1iilH1 ASN 211 HA -0.28 0.09 0.40 -0.75 4.76 4.21 1iilH1 ASN 211 HB2 -0.21 -0.03 0.12 -0.04 2.88 2.72 1iilH1 ASN 211 HB3 -0.35 0.09 0.04 -0.04 2.79 2.52 1iilH1 ASN 211 HD21 -0.03 0.05 0.03 -0.04 7.03 7.04 1iilH1 ASN 211 HD22 -0.08 -0.03 0.09 -0.04 7.74 7.68 1iilH1 GLN 212 H -0.30 0.06 -0.16 -0.55 8.47 7.52 1iilH1 GLN 212 HA -0.34 0.13 0.41 -0.75 4.36 3.80 1iilH1 GLN 212 HB2 -0.49 -0.05 0.03 -0.04 2.15 1.60 1iilH1 GLN 212 HB3 -0.31 0.06 0.02 -0.04 2.02 1.75 1iilH1 GLN 212 HG2 -0.16 0.03 0.03 -0.04 2.40 2.25 1iilH1 GLN 212 HG3 -0.16 0.06 0.04 -0.04 2.39 2.28 1iilH1 GLN 212 HE21 -0.11 -0.00 0.03 -0.04 6.97 6.85 1iilH1 GLN 212 HE22 -0.10 0.05 0.01 -0.04 7.69 7.61 1iilH1 HIS 213 H -0.23 0.18 -0.43 -0.55 8.41 7.38 1iilH1 HIS 213 HA 0.13 0.24 0.87 -0.75 4.63 5.12 1iilH1 HIS 213 HB2 0.04 -0.02 0.01 -0.04 3.26 3.24 1iilH1 HIS 213 HB3 0.09 0.02 0.08 -0.04 3.20 3.34 1iilH1 HIS 213 HD2 0.07 0.16 -0.18 -0.04 6.97 6.97 1iilH1 HIS 213 HE1 0.00 0.00 -0.06 -0.04 7.75 7.65 1iilH1 TRP 214 H -0.36 0.32 -0.23 -0.55 7.97 7.15 1iilH1 TRP 214 HA 0.25 0.01 0.25 -0.75 4.62 4.37 1iilH1 TRP 214 HB2 0.19 -0.03 -0.28 -0.04 3.23 3.07 1iilH1 TRP 214 HB3 0.22 0.09 0.01 -0.04 3.23 3.52 1iilH1 TRP 214 HD1 0.13 -0.00 -0.26 -0.04 7.22 7.05 1iilH1 TRP 214 HE1 0.06 0.05 0.06 -0.04 10.20 10.33 1iilH1 TRP 214 HE3 0.13 -0.05 -0.05 -0.04 7.59 7.59 1iilH1 TRP 214 HZ2 0.02 -0.02 -0.01 -0.04 7.44 7.39 1iilH1 TRP 214 HZ3 0.05 0.01 -0.28 -0.04 7.13 6.86 1iilH1 TRP 214 HH2 0.02 0.12 -0.10 -0.04 7.19 7.19 1iilH1 SER 215 H 0.22 0.17 -0.19 -0.55 8.46 8.12 1iilH1 SER 215 HA 0.36 0.42 1.24 -0.75 4.49 5.76 1iilH1 SER 215 HB2 0.02 0.04 -0.10 -0.04 3.95 3.86 1iilH1 SER 215 HB3 0.17 0.11 -0.21 -0.04 3.93 3.96 1iilH1 LEU 216 H -0.30 0.70 0.34 -0.55 8.37 8.56 1iilH1 LEU 216 HA -0.45 0.17 0.91 -0.75 4.35 4.23 1iilH1 LEU 216 HB2 -2.76 -0.01 -0.09 -0.04 1.64 -1.26 1iilH1 LEU 216 HB3 -1.33 -0.03 0.12 -0.04 1.64 0.36 1iilH1 LEU 216 HG -0.39 -0.00 -0.37 -0.04 1.64 0.84 1iilH1 LEU 216 HD13 -0.49 0.02 -0.10 -0.04 0.93 0.32 1iilH1 LEU 216 HD23 -0.21 -0.01 -0.15 -0.04 0.89 0.48 1iilH1 ILE 217 H -0.13 0.84 0.36 -0.55 8.25 8.77 1iilH1 ILE 217 HA -0.25 0.39 1.31 -0.75 4.18 4.87 1iilH1 ILE 217 HB -0.07 -0.04 0.05 -0.04 1.89 1.79 1iilH1 ILE 217 HG12 -0.07 -0.04 -0.15 -0.04 1.49 1.19 1iilH1 ILE 217 HG13 -0.15 0.08 -0.07 -0.04 1.21 1.03 1iilH1 ILE 217 HG23 -0.08 -0.01 -0.28 -0.04 0.93 0.52 1iilH1 ILE 217 HD13 -0.09 -0.01 -0.65 -0.04 0.88 0.08 1iilH1 MET 218 H -0.22 0.71 0.30 -0.55 8.47 8.72 1iilH1 MET 218 HA -0.01 0.19 0.99 -0.75 4.52 4.94 1iilH1 MET 218 HB2 -0.18 -0.06 0.10 -0.04 2.15 1.97 1iilH1 MET 218 HB3 -0.02 0.09 -0.05 -0.04 2.03 2.01 1iilH1 MET 218 HG2 0.14 0.09 -0.12 -0.04 2.63 2.69 1iilH1 MET 218 HG3 -0.10 -0.09 -0.38 -0.04 2.56 1.96 1iilH1 MET 218 HE3 -0.68 -0.00 -0.15 -0.04 2.10 1.23 1iilH1 GLU 219 H -0.02 0.24 0.07 -0.55 8.60 8.35 1iilH1 GLU 219 HA -0.05 0.02 0.71 -0.75 4.29 4.21 1iilH1 GLU 219 HB2 -0.02 0.09 0.00 -0.04 2.09 2.11 1iilH1 GLU 219 HB3 -0.03 -0.01 0.01 -0.04 1.99 1.92 1iilH1 GLU 219 HG2 -0.04 -0.02 -0.08 -0.04 2.34 2.16 1iilH1 GLU 219 HG3 -0.05 -0.07 -0.19 -0.04 2.34 1.99 1iilH1 SER 220 H -0.03 0.09 -0.14 -0.55 8.46 7.84 1iilH1 SER 220 HA -0.02 0.06 0.08 -0.75 4.49 3.86 1iilH1 SER 220 HB2 -0.00 0.09 -0.07 -0.04 3.95 3.92 1iilH1 SER 220 HB3 -0.00 -0.03 0.11 -0.04 3.93 3.97 1iilH1 VAL 221 H -0.03 0.57 -0.12 -0.55 8.24 8.12 1iilH1 VAL 221 HA 0.01 0.12 0.26 -0.75 4.13 3.77 1iilH1 VAL 221 HB -0.00 -0.02 -0.10 -0.04 2.12 1.96 1iilH1 VAL 221 HG13 -0.07 0.03 -0.14 -0.04 0.97 0.76 1iilH1 VAL 221 HG23 -0.02 0.04 -0.14 -0.04 0.95 0.79 1iilH1 VAL 222 H 0.04 0.23 0.20 -0.55 8.24 8.15 1iilH1 VAL 222 HA 0.02 0.15 0.79 -0.75 4.13 4.35 1iilH1 VAL 222 HB 0.03 -0.02 0.13 -0.04 2.12 2.21 1iilH1 VAL 222 HG13 0.02 0.07 -0.11 -0.04 0.97 0.91 1iilH1 VAL 222 HG23 0.05 -0.02 -0.02 -0.04 0.95 0.91 1iilH1 PRO 223 HA 0.04 0.07 0.43 -0.51 4.44 4.47 1iilH1 PRO 223 HB2 0.03 0.02 0.10 -0.04 2.28 2.38 1iilH1 PRO 223 HB3 0.03 0.08 0.11 -0.04 2.02 2.19 1iilH1 PRO 223 HG2 0.02 0.06 0.09 -0.04 2.03 2.17 1iilH1 PRO 223 HG3 0.03 0.05 0.06 -0.04 2.03 2.12 1iilH1 PRO 223 HD2 0.03 0.13 0.21 -0.04 3.68 4.00 1iilH1 PRO 223 HD3 0.02 0.13 0.18 -0.04 3.65 3.95 1iilH1 SER 224 H 0.04 0.08 -0.24 -0.55 8.46 7.80 1iilH1 SER 224 HA 0.04 0.12 0.45 -0.75 4.49 4.36 1iilH1 SER 224 HB2 0.05 0.08 0.13 -0.04 3.95 4.17 1iilH1 SER 224 HB3 0.04 -0.03 0.10 -0.04 3.93 4.00 1iilH1 ASP 225 H 0.07 0.52 -0.35 -0.55 8.40 8.10 1iilH1 ASP 225 HA 0.16 0.11 0.51 -0.75 4.63 4.66 1iilH1 ASP 225 HB2 0.07 0.06 0.00 -0.04 2.71 2.80 1iilH1 ASP 225 HB3 0.10 -0.02 -0.01 -0.04 2.70 2.73 1iilH1 LYS 226 H 0.08 0.31 -0.26 -0.55 8.42 7.99 1iilH1 LYS 226 HA 0.13 0.06 0.30 -0.75 4.32 4.06 1iilH1 LYS 226 HB2 0.06 -0.06 0.24 -0.04 1.87 2.07 1iilH1 LYS 226 HB3 0.05 -0.00 0.13 -0.04 1.79 1.93 1iilH1 LYS 226 HG2 0.05 -0.04 -0.15 -0.04 1.46 1.29 1iilH1 LYS 226 HG3 0.08 0.19 0.26 -0.04 1.46 1.95 1iilH1 LYS 226 HD2 0.05 -0.05 0.12 -0.04 1.69 1.76 1iilH1 LYS 226 HD3 0.03 -0.02 0.04 -0.04 1.68 1.69 1iilH1 LYS 226 HE2 0.03 -0.02 0.00 -0.04 2.99 2.96 1iilH1 LYS 226 HE3 0.05 0.02 0.04 -0.04 2.99 3.06 1iilH1 GLY 227 H 0.16 0.43 0.41 -0.55 8.43 8.88 1iilH1 GLY 227 HA2 0.01 -0.04 0.35 -0.51 4.01 3.82 1iilH1 GLY 227 HA3 -0.08 0.19 0.72 -0.51 4.01 4.34 1iilH1 ASN 228 H -0.20 0.10 0.27 -0.55 8.53 8.16 1iilH1 ASN 228 HA -0.08 0.37 1.15 -0.75 4.76 5.44 1iilH1 ASN 228 HB2 -0.14 -0.16 0.18 -0.04 2.88 2.71 1iilH1 ASN 228 HB3 -0.18 0.05 0.01 -0.04 2.79 2.63 1iilH1 ASN 228 HD21 0.07 0.03 -0.03 -0.04 7.03 7.07 1iilH1 ASN 228 HD22 -0.02 -0.04 0.03 -0.04 7.74 7.67 1iilH1 TYR 229 H -0.10 0.82 0.40 -0.55 8.29 8.87 1iilH1 TYR 229 HA -0.09 0.36 1.14 -0.75 4.56 5.21 1iilH1 TYR 229 HB2 -0.53 -0.03 0.11 -0.04 3.06 2.57 1iilH1 TYR 229 HB3 0.03 -0.00 -0.01 -0.04 2.98 2.96 1iilH1 TYR 229 HD2 -0.21 0.00 -0.20 -0.04 7.15 6.69 1iilH1 TYR 229 HE2 -0.54 0.05 -0.17 -0.04 6.85 6.14 1iilH1 THR 230 H 0.04 0.56 0.29 -0.55 8.28 8.63 1iilH1 THR 230 HA -0.13 0.38 1.20 -0.75 4.39 5.09 1iilH1 THR 230 HB -0.05 -0.10 0.02 -0.04 4.32 4.15 1iilH1 THR 230 HG23 -0.10 0.01 -0.30 -0.04 1.22 0.80 1iilH1 CYS 231 H -0.28 0.54 0.38 -0.55 8.50 8.60 1iilH1 CYS 231 HA -1.04 0.24 0.96 -0.75 4.58 3.99 1iilH1 CYS 231 HB2 -0.93 0.02 -0.03 -0.04 2.97 1.99 1iilH1 CYS 231 HB3 -1.92 -0.00 -0.05 -0.04 2.97 0.96 1iilH1 VAL 232 H -0.28 0.70 0.33 -0.55 8.24 8.44 1iilH1 VAL 232 HA -0.02 0.25 1.03 -0.75 4.13 4.63 1iilH1 VAL 232 HB -0.04 -0.07 0.10 -0.04 2.12 2.07 1iilH1 VAL 232 HG13 -0.02 0.00 -0.20 -0.04 0.97 0.71 1iilH1 VAL 232 HG23 -0.04 -0.00 -0.27 -0.04 0.95 0.59 1iilH1 VAL 233 H -0.01 0.68 0.33 -0.55 8.24 8.70 1iilH1 VAL 233 HA 0.03 0.43 1.10 -0.75 4.13 4.93 1iilH1 VAL 233 HB -0.27 -0.05 0.07 -0.04 2.12 1.82 1iilH1 VAL 233 HG13 -0.18 0.01 -0.16 -0.04 0.97 0.60 1iilH1 VAL 233 HG23 0.18 -0.00 -0.16 -0.04 0.95 0.93 1iilH1 GLU 234 H 0.02 0.46 0.35 -0.55 8.60 8.88 1iilH1 GLU 234 HA -0.07 0.17 0.82 -0.75 4.29 4.45 1iilH1 GLU 234 HB2 -0.03 0.11 0.13 -0.04 2.09 2.26 1iilH1 GLU 234 HB3 -0.04 0.00 -0.10 -0.04 1.99 1.81 1iilH1 GLU 234 HG2 -0.00 0.01 -0.23 -0.04 2.34 2.08 1iilH1 GLU 234 HG3 0.00 -0.07 -0.09 -0.04 2.34 2.15 1iilH1 ASN 235 H -0.04 0.66 0.43 -0.55 8.53 9.03 1iilH1 ASN 235 HA -0.04 0.12 0.57 -0.75 4.76 4.66 1iilH1 ASN 235 HB2 -0.06 -0.07 0.07 -0.04 2.88 2.78 1iilH1 ASN 235 HB3 0.00 0.14 -0.15 -0.04 2.79 2.74 1iilH1 ASN 235 HD21 0.12 0.22 0.08 -0.04 7.03 7.41 1iilH1 ASN 235 HD22 0.06 0.26 -0.17 -0.04 7.74 7.85 1iilH1 GLU 236 H -0.22 0.19 0.12 -0.55 8.60 8.14 1iilH1 GLU 236 HA -0.14 0.10 0.38 -0.75 4.29 3.88 1iilH1 GLU 236 HB2 -0.28 0.03 0.11 -0.04 2.09 1.90 1iilH1 GLU 236 HB3 -0.20 -0.00 0.12 -0.04 1.99 1.87 1iilH1 GLU 236 HG2 -0.48 -0.03 0.12 -0.04 2.34 1.90 1iilH1 GLU 236 HG3 -1.44 0.05 -0.08 -0.04 2.34 0.84 1iilH1 TYR 237 H -0.18 0.06 -0.43 -0.55 8.29 7.18 1iilH1 TYR 237 HA -0.02 0.21 0.80 -0.75 4.56 4.79 1iilH1 TYR 237 HB2 -0.03 0.02 -0.22 -0.04 3.06 2.79 1iilH1 TYR 237 HB3 -0.03 -0.01 0.09 -0.04 2.98 2.99 1iilH1 TYR 237 HD2 -0.01 0.12 -0.19 -0.04 7.15 7.03 1iilH1 TYR 237 HE2 -0.00 0.06 0.02 -0.04 6.85 6.89 1iilH1 GLY 238 H -0.01 0.45 -0.08 -0.55 8.43 8.24 1iilH1 GLY 238 HA2 -0.01 0.04 0.33 -0.51 4.01 3.86 1iilH1 GLY 238 HA3 -0.01 0.11 0.57 -0.51 4.01 4.17 1iilH1 SER 239 H -0.05 0.25 0.19 -0.55 8.46 8.30 1iilH1 SER 239 HA -0.08 0.30 1.06 -0.75 4.49 5.02 1iilH1 SER 239 HB2 -0.03 0.01 -0.11 -0.04 3.95 3.78 1iilH1 SER 239 HB3 -0.03 -0.05 0.07 -0.04 3.93 3.87 1iilH1 ILE 240 H -0.15 0.69 0.37 -0.55 8.25 8.61 1iilH1 ILE 240 HA -0.06 0.17 0.99 -0.75 4.18 4.53 1iilH1 ILE 240 HB -0.22 0.01 0.07 -0.04 1.89 1.71 1iilH1 ILE 240 HG12 -0.51 0.05 -0.02 -0.04 1.49 0.96 1iilH1 ILE 240 HG13 -0.84 -0.03 -0.20 -0.04 1.21 0.10 1iilH1 ILE 240 HG23 -0.23 -0.00 -0.18 -0.04 0.93 0.47 1iilH1 ILE 240 HD13 -1.52 0.04 -0.29 -0.04 0.88 -0.93 1iilH1 ASN 241 H 0.11 0.24 0.24 -0.55 8.53 8.58 1iilH1 ASN 241 HA 0.21 0.34 1.01 -0.75 4.76 5.57 1iilH1 ASN 241 HB2 -0.01 -0.01 0.01 -0.04 2.88 2.83 1iilH1 ASN 241 HB3 0.01 -0.01 -0.09 -0.04 2.79 2.66 1iilH1 ASN 241 HD21 0.00 -0.02 -0.10 -0.04 7.03 6.88 1iilH1 ASN 241 HD22 -0.02 0.00 -0.37 -0.04 7.74 7.32 1iilH1 HIS 242 H 0.00 0.47 0.36 -0.55 8.41 8.70 1iilH1 HIS 242 HA -0.13 0.10 0.79 -0.75 4.63 4.64 1iilH1 HIS 242 HB2 -0.39 0.02 -0.15 -0.04 3.26 2.71 1iilH1 HIS 242 HB3 -0.54 -0.03 0.06 -0.04 3.20 2.66 1iilH1 HIS 242 HD2 -1.22 -0.03 -0.14 -0.04 6.97 5.54 1iilH1 HIS 242 HE1 -0.21 0.01 0.02 -0.04 7.75 7.52 1iilH1 THR 243 H -0.75 0.20 0.19 -0.55 8.28 7.38 1iilH1 THR 243 HA -0.43 0.31 1.29 -0.75 4.39 4.81 1iilH1 THR 243 HB -0.30 -0.02 0.07 -0.04 4.32 4.03 1iilH1 THR 243 HG23 -0.41 -0.02 -0.23 -0.04 1.22 0.53 1iilH1 TYR 244 H -0.32 0.76 0.45 -0.55 8.29 8.62 1iilH1 TYR 244 HA -0.31 0.29 1.07 -0.75 4.56 4.86 1iilH1 TYR 244 HB2 -0.93 -0.06 0.18 -0.04 3.06 2.20 1iilH1 TYR 244 HB3 -0.57 0.05 0.08 -0.04 2.98 2.49 1iilH1 TYR 244 HD2 -0.04 0.06 0.11 -0.04 7.15 7.24 1iilH1 TYR 244 HE2 0.31 0.07 -0.06 -0.04 6.85 7.13 1iilH1 HIS 245 H 0.14 0.69 0.41 -0.55 8.41 9.10 1iilH1 HIS 245 HA 0.07 0.19 1.08 -0.75 4.63 5.22 1iilH1 HIS 245 HB2 0.09 -0.08 0.12 -0.04 3.26 3.34 1iilH1 HIS 245 HB3 0.06 0.02 0.02 -0.04 3.20 3.26 1iilH1 HIS 245 HD2 0.03 -0.01 -0.16 -0.04 6.97 6.78 1iilH1 HIS 245 HE1 -0.05 -0.03 -0.10 -0.04 7.75 7.53 1iilH1 LEU 246 H 0.25 0.79 0.41 -0.55 8.37 9.28 1iilH1 LEU 246 HA 0.26 0.31 1.07 -0.75 4.35 5.24 1iilH1 LEU 246 HB2 0.34 -0.03 -0.04 -0.04 1.64 1.86 1iilH1 LEU 246 HB3 0.35 0.09 0.10 -0.04 1.64 2.13 1iilH1 LEU 246 HG 0.12 -0.10 -0.52 -0.04 1.64 1.10 1iilH1 LEU 246 HD13 0.06 0.01 -0.06 -0.04 0.93 0.90 1iilH1 LEU 246 HD23 -0.03 0.07 -0.20 -0.04 0.89 0.68 1iilH1 ASP 247 H 0.14 0.70 0.39 -0.55 8.40 9.07 1iilH1 ASP 247 HA 0.09 0.09 0.83 -0.75 4.63 4.88 1iilH1 ASP 247 HB2 0.09 0.01 -0.12 -0.04 2.71 2.65 1iilH1 ASP 247 HB3 0.06 -0.04 -0.06 -0.04 2.70 2.61 1iilH1 VAL 248 H 0.05 0.21 0.15 -0.55 8.24 8.10 1iilH1 VAL 248 HA 0.03 0.45 0.96 -0.75 4.13 4.82 1iilH1 VAL 248 HB 0.04 -0.07 -0.12 -0.04 2.12 1.93 1iilH1 VAL 248 HG13 0.02 -0.03 -0.45 -0.04 0.97 0.47 1iilH1 VAL 248 HG23 0.04 0.06 -0.37 -0.04 0.95 0.63 1iilH1 VAL 249 H 0.02 0.62 0.20 -0.55 8.24 8.53 1iilH1 VAL 249 HA 0.03 0.16 0.93 -0.75 4.13 4.50 1iilH1 VAL 249 HB 0.02 -0.02 -0.09 -0.04 2.12 2.00 1iilH1 VAL 249 HG13 0.02 0.01 -0.19 -0.04 0.97 0.78 1iilH1 VAL 249 HG23 0.03 0.00 -0.26 -0.04 0.95 0.68 1iilH1 GLU 250 H 0.03 0.19 0.14 -0.55 8.60 8.41 1iilH1 GLU 250 HA 0.02 0.03 0.75 -0.75 4.29 4.33 1iilH1 GLU 250 HB2 0.03 0.00 0.15 -0.04 2.09 2.23 1iilH1 GLU 250 HB3 0.03 0.08 0.02 -0.04 1.99 2.08 1iilH1 GLU 250 HG2 0.02 0.01 0.03 -0.04 2.34 2.36 1iilH1 GLU 250 HG3 0.02 -0.02 0.03 -0.04 2.34 2.33 1iilH1 ARG 251 H 0.02 0.18 0.23 -0.55 8.46 8.35 1iilH1 ARG 251 HA 0.03 0.19 0.89 -0.75 4.34 4.69 1iilH1 ARG 251 HB2 0.01 0.02 0.02 -0.04 1.90 1.91 1iilH1 ARG 251 HB3 0.01 -0.01 -0.00 -0.04 1.80 1.76 1iilH1 ARG 251 HG2 0.01 0.04 -0.04 -0.04 1.67 1.64 1iilH1 ARG 251 HG3 0.01 0.02 -0.03 -0.04 1.67 1.62 1iilH1 ARG 251 HD2 0.02 0.05 -0.46 -0.04 3.22 2.79 1iilH1 ARG 251 HD3 0.01 0.01 -0.14 -0.04 3.22 3.06 1iilH1 SER 252 H 0.02 0.22 0.15 -0.55 8.46 8.31 1iilH1 SER 252 HA 0.05 0.19 0.88 -0.75 4.49 4.86 1iilH1 SER 252 HB2 0.12 0.09 -0.06 -0.04 3.95 4.06 1iilH1 SER 252 HB3 0.01 -0.06 0.14 -0.04 3.93 3.99 1iilH1 ARG 253 H 0.05 0.23 0.00 -0.55 8.46 8.19 1iilH1 ARG 253 HA 0.00 0.15 0.83 -0.75 4.34 4.58 1iilH1 ARG 253 HB2 0.01 0.03 0.24 -0.04 1.90 2.14 1iilH1 ARG 253 HB3 -0.00 0.03 0.09 -0.04 1.80 1.87 1iilH1 ARG 253 HG2 0.01 -0.04 -0.18 -0.04 1.67 1.42 1iilH1 ARG 253 HG3 0.02 0.02 0.03 -0.04 1.67 1.70 1iilH1 ARG 253 HD2 0.01 0.03 -0.02 -0.04 3.22 3.20 1iilH1 ARG 253 HD3 0.00 0.01 0.02 -0.04 3.22 3.22 1iilH1 HIS 254 H 0.06 0.19 -0.32 -0.55 8.41 7.79 1iilH1 HIS 254 HA -0.02 0.21 0.93 -0.75 4.63 4.99 1iilH1 HIS 254 HB2 0.00 -0.10 -0.14 -0.04 3.26 2.99 1iilH1 HIS 254 HB3 -0.03 0.04 -0.08 -0.04 3.20 3.09 1iilH1 HIS 254 HD2 0.01 -0.02 -0.03 -0.04 6.97 6.88 1iilH1 HIS 254 HE1 -0.00 0.01 -0.04 -0.04 7.75 7.67 1iilH1 ARG 255 H -0.54 0.12 0.04 -0.55 8.46 7.53 1iilH1 ARG 255 HA -0.06 -0.05 0.43 -0.75 4.34 3.90 1iilH1 ARG 255 HB2 -0.05 0.02 -0.22 -0.04 1.90 1.61 1iilH1 ARG 255 HB3 -0.13 -0.02 -0.11 -0.04 1.80 1.50 1iilH1 ARG 255 HG2 -0.17 -0.09 -0.08 -0.04 1.67 1.29 1iilH1 ARG 255 HG3 -0.00 0.22 -0.33 -0.04 1.67 1.52 1iilH1 ARG 255 HD2 -0.05 -0.11 -0.07 -0.04 3.22 2.95 1iilH1 ARG 255 HD3 -0.12 -0.03 -0.02 -0.04 3.22 3.00 1iilH1 PRO 256 HA -0.07 0.18 0.44 -0.51 4.44 4.48 1iilH1 PRO 256 HB2 -0.05 0.02 -0.13 -0.04 2.28 2.08 1iilH1 PRO 256 HB3 -0.07 0.02 -0.12 -0.04 2.02 1.80 1iilH1 PRO 256 HG2 -0.04 -0.01 -0.48 -0.04 2.03 1.46 1iilH1 PRO 256 HG3 -0.05 0.05 -0.16 -0.04 2.03 1.83 1iilH1 PRO 256 HD2 -0.03 0.14 -0.03 -0.04 3.68 3.72 1iilH1 PRO 256 HD3 -0.04 -0.04 0.15 -0.04 3.65 3.69 1iilH1 ILE 257 H -0.02 0.61 0.32 -0.55 8.25 8.61 1iilH1 ILE 257 HA 0.01 0.16 0.96 -0.75 4.18 4.55 1iilH1 ILE 257 HB 0.02 0.03 -0.01 -0.04 1.89 1.89 1iilH1 ILE 257 HG12 0.04 0.05 -0.30 -0.04 1.49 1.24 1iilH1 ILE 257 HG13 0.03 0.01 0.06 -0.04 1.21 1.26 1iilH1 ILE 257 HG23 0.20 0.01 0.09 -0.04 0.93 1.19 1iilH1 ILE 257 HD13 0.01 -0.03 -0.04 -0.04 0.88 0.78 1iilH1 LEU 258 H -0.13 0.15 0.11 -0.55 8.37 7.96 1iilH1 LEU 258 HA -0.09 0.31 1.00 -0.75 4.35 4.81 1iilH1 LEU 258 HB2 -1.08 -0.02 -0.05 -0.04 1.64 0.45 1iilH1 LEU 258 HB3 -0.36 0.09 0.08 -0.04 1.64 1.41 1iilH1 LEU 258 HG -0.42 -0.05 -0.19 -0.04 1.64 0.95 1iilH1 LEU 258 HD13 -0.39 0.02 -0.07 -0.04 0.93 0.45 1iilH1 LEU 258 HD23 -0.17 -0.03 -0.39 -0.04 0.89 0.26 1iilH1 GLN 259 H 0.00 0.36 0.26 -0.55 8.47 8.54 1iilH1 GLN 259 HA 0.06 0.02 0.55 -0.75 4.36 4.24 1iilH1 GLN 259 HB2 0.04 -0.01 0.08 -0.04 2.15 2.23 1iilH1 GLN 259 HB3 0.06 -0.07 0.15 -0.04 2.02 2.12 1iilH1 GLN 259 HG2 0.06 0.29 -0.16 -0.04 2.40 2.55 1iilH1 GLN 259 HG3 0.04 -0.06 0.05 -0.04 2.39 2.38 1iilH1 GLN 259 HE21 0.04 -0.04 -0.05 -0.04 6.97 6.88 1iilH1 GLN 259 HE22 0.05 0.13 -0.06 -0.04 7.69 7.76 1iilH1 ALA 260 H 0.08 0.08 0.20 -0.55 8.40 8.22 1iilH1 ALA 260 HA 0.06 0.06 0.45 -0.75 4.34 4.15 1iilH1 ALA 260 HB3 0.02 0.00 0.12 -0.04 1.41 1.52 1iilH1 GLY 261 H -0.03 0.14 0.16 -0.55 8.43 8.15 1iilH1 GLY 261 HA2 0.04 -0.02 0.36 -0.51 4.01 3.87 1iilH1 GLY 261 HA3 0.05 0.10 0.60 -0.51 4.01 4.25 1iilH1 LEU 262 H 0.16 0.44 -0.32 -0.55 8.37 8.11 1iilH1 LEU 262 HA 0.16 0.02 0.80 -0.75 4.35 4.57 1iilH1 LEU 262 HB2 0.12 -0.03 0.08 -0.04 1.64 1.78 1iilH1 LEU 262 HB3 0.14 0.24 0.05 -0.04 1.64 2.03 1iilH1 LEU 262 HG 0.09 0.02 -0.30 -0.04 1.64 1.41 1iilH1 LEU 262 HD13 0.07 -0.03 -0.12 -0.04 0.93 0.81 1iilH1 LEU 262 HD23 0.10 0.02 -0.04 -0.04 0.89 0.94 1iilH1 PRO 263 HA 0.25 0.13 0.53 -0.51 4.44 4.84 1iilH1 PRO 263 HB2 0.44 0.06 -0.03 -0.04 2.28 2.71 1iilH1 PRO 263 HB3 0.58 0.02 -0.04 -0.04 2.02 2.54 1iilH1 PRO 263 HG2 0.15 -0.01 -0.29 -0.04 2.03 1.84 1iilH1 PRO 263 HG3 0.25 0.00 -0.09 -0.04 2.03 2.16 1iilH1 PRO 263 HD2 0.17 0.04 0.19 -0.04 3.68 4.04 1iilH1 PRO 263 HD3 0.07 0.02 0.11 -0.04 3.65 3.82 1iilH1 ALA 264 H 0.23 0.02 0.26 -0.55 8.40 8.37 1iilH1 ALA 264 HA 0.15 0.19 0.92 -0.75 4.34 4.84 1iilH1 ALA 264 HB3 0.10 0.01 0.19 -0.04 1.41 1.66 1iilH1 ASN 265 H 0.16 0.07 0.26 -0.55 8.53 8.48 1iilH1 ASN 265 HA 0.33 0.01 0.59 -0.75 4.76 4.94 1iilH1 ASN 265 HB2 0.14 -0.04 0.15 -0.04 2.88 3.10 1iilH1 ASN 265 HB3 0.21 0.10 0.17 -0.04 2.79 3.22 1iilH1 ASN 265 HD21 0.17 0.02 0.09 -0.04 7.03 7.27 1iilH1 ASN 265 HD22 0.12 0.00 0.10 -0.04 7.74 7.92 1iilH1 ALA 266 H 0.26 0.70 0.47 -0.55 8.40 9.28 1iilH1 ALA 266 HA 0.02 0.10 0.83 -0.75 4.34 4.55 1iilH1 ALA 266 HB3 -0.19 0.03 0.00 -0.04 1.41 1.20 1iilH1 SER 267 H 0.00 0.28 0.26 -0.55 8.46 8.45 1iilH1 SER 267 HA 0.07 0.28 1.02 -0.75 4.49 5.10 1iilH1 SER 267 HB2 0.06 -0.02 -0.10 -0.04 3.95 3.85 1iilH1 SER 267 HB3 0.03 -0.02 0.05 -0.04 3.93 3.94 1iilH1 THR 268 H 0.04 0.63 0.35 -0.55 8.28 8.75 1iilH1 THR 268 HA -0.00 0.07 0.58 -0.75 4.39 4.29 1iilH1 THR 268 HB -0.04 0.11 -0.23 -0.04 4.32 4.12 1iilH1 THR 268 HG23 -0.02 -0.00 -0.37 -0.04 1.22 0.79 1iilH1 VAL 269 H -0.01 0.13 0.18 -0.55 8.24 7.98 1iilH1 VAL 269 HA 0.01 0.22 0.83 -0.75 4.13 4.43 1iilH1 VAL 270 H -0.12 0.57 0.19 -0.55 8.24 8.33 1iilH1 VAL 270 HA -0.22 0.06 0.22 -0.75 4.13 3.43 1iilH1 VAL 270 HB -0.30 0.02 0.01 -0.04 2.12 1.81 1iilH1 VAL 270 HG13 -1.04 0.01 -0.10 -0.04 0.97 -0.20 1iilH1 VAL 270 HG23 -0.12 0.01 -0.03 -0.04 0.95 0.77 1iilH1 GLY 271 H -0.11 0.80 0.16 -0.55 8.43 8.73 1iilH1 GLY 271 HA2 -0.06 -0.02 0.32 -0.51 4.01 3.74 1iilH1 GLY 271 HA3 -0.06 0.08 0.59 -0.51 4.01 4.12 1iilH1 GLY 272 H -0.06 0.46 -0.31 -0.55 8.43 7.97 1iilH1 GLY 272 HA2 -0.04 0.07 0.53 -0.51 4.01 4.06 1iilH1 GLY 272 HA3 -0.04 0.06 0.34 -0.51 4.01 3.87 1iilH1 ASP 273 H -0.04 0.20 0.24 -0.55 8.40 8.24 1iilH1 ASP 273 HA -0.05 0.25 1.07 -0.75 4.63 5.14 1iilH1 ASP 273 HB2 -0.04 -0.02 0.11 -0.04 2.71 2.72 1iilH1 ASP 273 HB3 -0.04 0.04 -0.02 -0.04 2.70 2.64 1iilH1 VAL 274 H -0.08 0.57 0.29 -0.55 8.24 8.47 1iilH1 VAL 274 HA -0.14 0.09 0.66 -0.75 4.13 3.99 1iilH1 VAL 274 HB -0.15 0.02 -0.38 -0.04 2.12 1.57 1iilH1 VAL 274 HG13 -0.27 0.02 -0.21 -0.04 0.97 0.46 1iilH1 VAL 274 HG23 -0.36 0.03 0.04 -0.04 0.95 0.62 1iilH1 GLU 275 H -0.32 0.21 0.20 -0.55 8.60 8.14 1iilH1 GLU 275 HA -0.39 0.40 1.11 -0.75 4.29 4.66 1iilH1 GLU 275 HB2 -0.42 0.01 -0.02 -0.04 2.09 1.62 1iilH1 GLU 275 HB3 -0.09 -0.04 -0.14 -0.04 1.99 1.67 1iilH1 GLU 275 HG2 -0.12 -0.05 0.00 -0.04 2.34 2.13 1iilH1 GLU 275 HG3 -0.18 0.01 -0.19 -0.04 2.34 1.95 1iilH1 PHE 276 H -0.41 0.53 0.30 -0.55 8.34 8.21 1iilH1 PHE 276 HA -0.09 0.12 0.83 -0.75 4.62 4.73 1iilH1 PHE 276 HB2 -0.80 -0.02 0.08 -0.04 3.15 2.36 1iilH1 PHE 276 HB3 -0.07 0.02 -0.05 -0.04 3.06 2.92 1iilH1 PHE 276 HD2 -0.31 -0.01 -0.09 -0.04 7.28 6.83 1iilH1 PHE 276 HE2 -0.51 0.04 -0.15 -0.04 7.38 6.72 1iilH1 PHE 276 HZ -0.14 -0.04 -0.24 -0.04 7.32 6.85 1iilH1 VAL 277 H 0.20 0.12 0.21 -0.55 8.24 8.22 1iilH1 VAL 277 HA 0.21 0.39 1.16 -0.75 4.13 5.14 1iilH1 VAL 277 HB 0.10 -0.04 0.06 -0.04 2.12 2.19 1iilH1 VAL 277 HG13 0.09 0.01 -0.14 -0.04 0.97 0.88 1iilH1 VAL 277 HG23 -0.02 -0.01 -0.14 -0.04 0.95 0.74 1iilH1 CYS 278 H 0.27 0.64 0.27 -0.55 8.50 9.13 1iilH1 CYS 278 HA 0.10 0.10 0.76 -0.75 4.58 4.79 1iilH1 CYS 278 HB2 -0.17 0.03 -0.24 -0.04 2.97 2.54 1iilH1 CYS 278 HB3 -0.06 0.03 0.03 -0.04 2.97 2.92 1iilH1 LYS 279 H 0.03 0.20 0.10 -0.55 8.42 8.20 1iilH1 LYS 279 HA 0.03 0.16 0.93 -0.75 4.32 4.69 1iilH1 LYS 279 HB2 0.04 -0.04 0.13 -0.04 1.87 1.96 1iilH1 LYS 279 HB3 0.03 0.05 -0.03 -0.04 1.79 1.80 1iilH1 LYS 279 HG2 0.06 -0.05 -0.23 -0.04 1.46 1.19 1iilH1 LYS 279 HG3 0.04 0.01 -0.06 -0.04 1.46 1.41 1iilH1 LYS 279 HD2 0.04 0.11 0.02 -0.04 1.69 1.82 1iilH1 LYS 279 HD3 0.04 -0.01 -0.07 -0.04 1.68 1.61 1iilH1 LYS 279 HE2 0.03 -0.02 -0.03 -0.04 2.99 2.93 1iilH1 LYS 279 HE3 0.04 0.03 -0.00 -0.04 2.99 3.01 1iilH1 VAL 280 H 0.01 0.20 0.14 -0.55 8.24 8.04 1iilH1 VAL 280 HA -0.02 0.32 1.10 -0.75 4.13 4.78 1iilH1 VAL 280 HB -0.03 -0.02 -0.03 -0.04 2.12 2.00 1iilH1 VAL 280 HG13 -0.06 -0.02 -0.34 -0.04 0.97 0.51 1iilH1 VAL 280 HG23 -0.11 -0.00 -0.35 -0.04 0.95 0.45 1iilH1 TYR 281 H 0.06 0.73 0.31 -0.55 8.29 8.84 1iilH1 TYR 281 HA -0.01 0.17 0.93 -0.75 4.56 4.90 1iilH1 TYR 281 HB2 -0.02 0.01 -0.03 -0.04 3.06 2.98 1iilH1 TYR 281 HB3 -0.03 0.03 0.14 -0.04 2.98 3.08 1iilH1 TYR 281 HD2 -0.02 0.03 -0.01 -0.04 7.15 7.11 1iilH1 TYR 281 HE2 -0.02 0.01 -0.09 -0.04 6.85 6.71 1iilH1 SER 282 H -0.31 0.28 0.06 -0.55 8.46 7.95 1iilH1 SER 282 HA -0.54 0.02 0.44 -0.75 4.49 3.65 1iilH1 SER 282 HB2 -0.15 0.02 -0.23 -0.04 3.95 3.55 1iilH1 SER 282 HB3 -0.12 -0.00 -0.16 -0.04 3.93 3.60 1iilH1 ASP 283 H -0.27 0.11 0.11 -0.55 8.40 7.80 1iilH1 ASP 283 HA -0.07 0.11 0.62 -0.75 4.63 4.53 1iilH1 ASP 283 HB2 -0.07 -0.05 0.18 -0.04 2.71 2.73 1iilH1 ASP 283 HB3 -0.06 0.09 0.32 -0.04 2.70 3.01 1iilH1 ALA 284 H -0.07 0.07 0.13 -0.55 8.40 7.99 1iilH1 ALA 284 HA -0.03 0.02 0.42 -0.75 4.34 4.00 1iilH1 ALA 284 HB3 -0.04 -0.01 0.10 -0.04 1.41 1.43 1iilH1 GLN 285 H -0.02 0.03 0.18 -0.55 8.47 8.11 1iilH1 GLN 285 HA -0.02 0.15 0.32 -0.75 4.36 4.05 1iilH1 GLN 285 HB2 -0.00 -0.10 0.15 -0.04 2.15 2.16 1iilH1 GLN 285 HB3 0.01 0.08 -0.03 -0.04 2.02 2.03 1iilH1 GLN 285 HG2 -0.00 -0.02 0.12 -0.04 2.40 2.45 1iilH1 GLN 285 HG3 0.00 -0.04 0.05 -0.04 2.39 2.36 1iilH1 GLN 285 HE21 0.01 -0.04 0.04 -0.04 6.97 6.94 1iilH1 GLN 285 HE22 0.01 0.00 0.03 -0.04 7.69 7.69 1iilH1 PRO 286 HA -0.01 0.26 0.70 -0.51 4.44 4.87 1iilH1 PRO 286 HB2 -0.05 -0.03 -0.14 -0.04 2.28 2.02 1iilH1 PRO 286 HB3 -0.06 0.01 -0.10 -0.04 2.02 1.83 1iilH1 PRO 286 HG2 -0.03 -0.04 -0.00 -0.04 2.03 1.91 1iilH1 PRO 286 HG3 -0.05 0.01 -0.09 -0.04 2.03 1.87 1iilH1 PRO 286 HD2 -0.02 0.01 0.19 -0.04 3.68 3.81 1iilH1 PRO 286 HD3 -0.05 0.30 0.03 -0.04 3.65 3.89 1iilH1 HIS 287 H 0.05 0.72 0.39 -0.55 8.41 9.02 1iilH1 HIS 287 HA -0.03 0.10 0.93 -0.75 4.63 4.88 1iilH1 HIS 287 HB2 -0.03 0.01 0.01 -0.04 3.26 3.21 1iilH1 HIS 287 HB3 -0.04 -0.01 0.20 -0.04 3.20 3.30 1iilH1 HIS 287 HD2 -0.01 -0.05 -0.04 -0.04 6.97 6.82 1iilH1 HIS 287 HE1 -0.02 -0.04 -0.10 -0.04 7.75 7.55 1iilH1 ILE 288 H -0.35 0.13 0.16 -0.55 8.25 7.63 1iilH1 ILE 288 HA -0.28 0.41 1.14 -0.75 4.18 4.70 1iilH1 ILE 288 HB -0.17 -0.07 0.05 -0.04 1.89 1.66 1iilH1 ILE 288 HG12 -0.17 0.04 -0.22 -0.04 1.49 1.10 1iilH1 ILE 288 HG13 -0.13 -0.08 -0.32 -0.04 1.21 0.64 1iilH1 ILE 288 HG23 -0.32 0.02 -0.25 -0.04 0.93 0.33 1iilH1 ILE 288 HD13 -0.08 0.00 -0.12 -0.04 0.88 0.64 1iilH1 GLN 289 H -0.31 0.58 0.41 -0.55 8.47 8.60 1iilH1 GLN 289 HA -0.09 0.13 0.82 -0.75 4.36 4.47 1iilH1 GLN 289 HB2 -0.00 0.10 0.20 -0.04 2.15 2.41 1iilH1 GLN 289 HB3 -0.08 -0.05 0.05 -0.04 2.02 1.89 1iilH1 GLN 289 HG2 -0.11 0.11 0.01 -0.04 2.40 2.37 1iilH1 GLN 289 HG3 -0.09 -0.05 -0.09 -0.04 2.39 2.12 1iilH1 GLN 289 HE21 0.08 -0.03 -0.09 -0.04 6.97 6.90 1iilH1 GLN 289 HE22 0.14 0.04 -0.12 -0.04 7.69 7.72 1iilH1 TRP 290 H 0.22 0.58 0.41 -0.55 7.97 8.63 1iilH1 TRP 290 HA -0.02 0.34 1.12 -0.75 4.62 5.30 1iilH1 TRP 290 HB2 0.02 -0.09 0.16 -0.04 3.23 3.28 1iilH1 TRP 290 HB3 0.04 0.02 0.00 -0.04 3.23 3.25 1iilH1 TRP 290 HD1 -0.01 -0.06 -0.12 -0.04 7.22 6.99 1iilH1 TRP 290 HE1 -0.02 0.67 -0.10 -0.04 10.20 10.70 1iilH1 TRP 290 HE3 -0.02 0.02 -0.20 -0.04 7.59 7.35 1iilH1 TRP 290 HZ2 -0.01 0.17 -0.27 -0.04 7.44 7.29 1iilH1 TRP 290 HZ3 -0.08 -0.00 -0.24 -0.04 7.13 6.77 1iilH1 TRP 290 HH2 0.06 -0.06 -0.63 -0.04 7.19 6.52 1iilH1 ILE 291 H 0.15 0.70 0.44 -0.55 8.25 8.99 1iilH1 ILE 291 HA 0.03 0.23 1.10 -0.75 4.18 4.79 1iilH1 ILE 291 HB -0.10 -0.01 0.01 -0.04 1.89 1.75 1iilH1 ILE 291 HG12 -0.04 0.00 -0.22 -0.04 1.49 1.19 1iilH1 ILE 291 HG13 -0.04 -0.05 -0.59 -0.04 1.21 0.48 1iilH1 ILE 291 HG23 -0.18 -0.01 -0.21 -0.04 0.93 0.49 1iilH1 ILE 291 HD13 -0.13 -0.00 -0.15 -0.04 0.88 0.55 1iilH1 LYS 292 H -0.07 0.59 0.38 -0.55 8.42 8.76 1iilH1 LYS 292 HA -0.32 0.29 1.04 -0.75 4.32 4.57 1iilH1 LYS 292 HB2 -0.28 -0.04 -0.02 -0.04 1.87 1.49 1iilH1 LYS 292 HB3 -0.12 -0.05 0.10 -0.04 1.79 1.68 1iilH1 LYS 292 HG2 -0.17 -0.05 -0.14 -0.04 1.46 1.06 1iilH1 LYS 292 HG3 -0.22 0.12 -0.35 -0.04 1.46 0.97 1iilH1 LYS 292 HD2 -1.23 0.06 -0.12 -0.04 1.69 0.35 1iilH1 LYS 292 HD3 -0.86 -0.06 -0.13 -0.04 1.68 0.60 1iilH1 LYS 292 HE2 -0.25 -0.03 -0.02 -0.04 2.99 2.65 1iilH1 LYS 292 HE3 -0.28 0.01 -0.48 -0.04 2.99 2.20 1iilH1 HIS 293 H -0.06 0.55 0.28 -0.55 8.41 8.63 1iilH1 HIS 293 HA -0.16 0.11 0.72 -0.75 4.63 4.55 1iilH1 HIS 293 HB2 -0.24 -0.10 0.23 -0.04 3.26 3.12 1iilH1 HIS 293 HB3 -0.19 0.03 0.02 -0.04 3.20 3.01 1iilH1 HIS 293 HD2 -0.28 0.11 -0.20 -0.04 6.97 6.56 1iilH1 HIS 293 HE1 -0.20 -0.02 -0.10 -0.04 7.75 7.39 1iilH1 VAL 294 H -0.03 0.70 0.32 -0.55 8.24 8.68 1iilH1 VAL 294 HA -0.01 0.21 1.00 -0.75 4.13 4.57 1iilH1 VAL 294 HB -0.02 -0.03 -0.06 -0.04 2.12 1.97 1iilH1 VAL 294 HG13 -0.04 0.00 -0.25 -0.04 0.97 0.64 1iilH1 VAL 294 HG23 -0.00 -0.02 -0.30 -0.04 0.95 0.59 1iilH1 GLU 295 H -0.00 0.17 0.13 -0.55 8.60 8.35 1iilH1 GLU 295 HA 0.05 0.25 0.85 -0.75 4.29 4.69 1iilH1 LYS 296 H -0.21 0.41 0.04 -0.55 8.42 8.11 1iilH1 LYS 296 HA -0.25 0.15 0.77 -0.75 4.32 4.24 1iilH1 ASN 297 H -0.08 0.39 -0.35 -0.55 8.53 7.94 1iilH1 ASN 297 HA -0.04 0.04 0.22 -0.75 4.76 4.23 1iilH1 ASN 297 HB2 -0.04 0.29 0.07 -0.04 2.88 3.17 1iilH1 ASN 297 HB3 0.02 -0.43 0.25 -0.04 2.79 2.59 1iilH1 ASN 297 HD21 -0.02 -0.06 0.07 -0.04 7.03 6.98 1iilH1 ASN 297 HD22 -0.03 0.13 0.18 -0.04 7.74 7.98 1iilH1 GLY 298 H 0.03 0.11 0.10 -0.55 8.43 8.13 1iilH1 GLY 298 HA2 0.03 0.15 0.56 -0.51 4.01 4.24 1iilH1 GLY 298 HA3 0.04 0.01 0.30 -0.51 4.01 3.86 1iilH1 SER 299 H 0.09 -0.03 -0.11 -0.55 8.46 7.87 1iilH1 SER 299 HA 0.13 -0.01 0.25 -0.75 4.49 4.11 1iilH1 SER 299 HB2 0.14 -0.02 -0.03 -0.04 3.95 4.00 1iilH1 SER 299 HB3 0.31 -0.04 -0.09 -0.04 3.93 4.07 1iilH1 LYS 300 H 0.16 0.07 0.14 -0.55 8.42 8.24 1iilH1 LYS 300 HA 0.11 0.20 0.60 -0.75 4.32 4.48 1iilH1 LYS 300 HB2 0.17 -0.11 0.20 -0.04 1.87 2.09 1iilH1 LYS 300 HB3 -0.10 0.01 -0.01 -0.04 1.79 1.65 1iilH1 LYS 300 HG2 0.07 0.05 -0.06 -0.04 1.46 1.47 1iilH1 LYS 300 HG3 0.10 0.09 0.02 -0.04 1.46 1.63 1iilH1 LYS 300 HD2 0.16 -0.04 0.02 -0.04 1.69 1.80 1iilH1 LYS 300 HD3 0.09 -0.01 -0.02 -0.04 1.68 1.69 1iilH1 LYS 300 HE2 0.10 0.03 -0.03 -0.04 2.99 3.06 1iilH1 LYS 300 HE3 0.10 0.01 -0.00 -0.04 2.99 3.06 1iilH1 TYR 301 H 0.31 0.06 0.09 -0.55 8.29 8.19 1iilH1 TYR 301 HA -0.07 -0.03 0.51 -0.75 4.56 4.22 1iilH1 TYR 301 HB2 -0.00 -0.05 0.12 -0.04 3.06 3.09 1iilH1 TYR 301 HB3 -0.03 0.26 0.01 -0.04 2.98 3.18 1iilH1 TYR 301 HD2 0.02 0.02 0.08 -0.04 7.15 7.23 1iilH1 TYR 301 HE2 0.07 -0.00 0.00 -0.04 6.85 6.88 1iilH1 GLY 302 H -0.29 0.04 -0.44 -0.55 8.43 7.18 1iilH1 GLY 302 HA2 -0.55 0.03 0.11 -0.51 4.01 3.10 1iilH1 GLY 302 HA3 -0.55 0.34 0.29 -0.51 4.01 3.59 1iilH1 PRO 303 HA 0.01 0.09 0.35 -0.51 4.44 4.38 1iilH1 PRO 303 HB2 0.00 -0.04 0.05 -0.04 2.28 2.26 1iilH1 PRO 303 HB3 0.03 0.04 0.05 -0.04 2.02 2.09 1iilH1 PRO 303 HG2 0.12 0.05 0.08 -0.04 2.03 2.24 1iilH1 PRO 303 HG3 0.12 0.05 0.07 -0.04 2.03 2.22 1iilH1 PRO 303 HD2 -0.17 0.10 0.18 -0.04 3.68 3.75 1iilH1 PRO 303 HD3 -0.14 0.15 0.15 -0.04 3.65 3.77 1iilH1 ASP 304 H -0.06 0.07 -0.13 -0.55 8.40 7.74 1iilH1 ASP 304 HA -0.02 0.11 0.52 -0.75 4.63 4.50 1iilH1 ASP 304 HB2 -0.03 0.04 -0.01 -0.04 2.71 2.67 1iilH1 ASP 304 HB3 -0.03 0.04 0.08 -0.04 2.70 2.75 1iilH1 GLY 305 H -0.06 -0.01 -0.33 -0.55 8.43 7.48 1iilH1 GLY 305 HA2 0.00 0.14 0.16 -0.51 4.01 3.80 1iilH1 GLY 305 HA3 -0.01 0.08 0.36 -0.51 4.01 3.93 1iilH1 LEU 306 H -0.06 -0.01 -0.03 -0.55 8.37 7.73 1iilH1 LEU 306 HA -0.05 0.19 0.49 -0.75 4.35 4.23 1iilH1 LEU 306 HB2 -0.10 -0.11 0.11 -0.04 1.64 1.50 1iilH1 LEU 306 HB3 -0.11 0.11 -0.05 -0.04 1.64 1.55 1iilH1 LEU 306 HG -0.06 0.02 -0.02 -0.04 1.64 1.55 1iilH1 LEU 306 HD13 -0.05 0.03 -0.06 -0.04 0.93 0.81 1iilH1 LEU 306 HD23 -0.03 -0.03 -0.08 -0.04 0.89 0.70 1iilH1 PRO 307 HA -0.24 -0.05 0.79 -0.51 4.44 4.42 1iilH1 PRO 307 HB2 -0.32 0.11 -0.08 -0.04 2.28 1.95 1iilH1 PRO 307 HB3 -0.40 -0.02 0.09 -0.04 2.02 1.66 1iilH1 PRO 307 HG2 -0.22 0.01 0.09 -0.04 2.03 1.88 1iilH1 PRO 307 HG3 -0.12 0.05 0.06 -0.04 2.03 1.97 1iilH1 PRO 307 HD2 -0.07 0.03 0.25 -0.04 3.68 3.85 1iilH1 PRO 307 HD3 0.06 0.39 0.35 -0.04 3.65 4.41 1iilH1 TYR 308 H -0.27 0.48 0.33 -0.55 8.29 8.28 1iilH1 TYR 308 HA -0.08 -0.05 0.49 -0.75 4.56 4.17 1iilH1 TYR 308 HB2 -0.06 0.36 0.27 -0.04 3.06 3.58 1iilH1 TYR 308 HB3 -0.05 -0.04 -0.02 -0.04 2.98 2.82 1iilH1 TYR 308 HD2 -0.03 0.17 0.07 -0.04 7.15 7.33 1iilH1 TYR 308 HE2 -0.00 -0.04 -0.07 -0.04 6.85 6.70 1iilH1 LEU 309 H -0.04 0.10 0.31 -0.55 8.37 8.20 1iilH1 LEU 309 HA -0.16 0.24 1.01 -0.75 4.35 4.68 1iilH1 LEU 309 HB2 -0.13 -0.06 0.02 -0.04 1.64 1.43 1iilH1 LEU 309 HB3 -0.20 -0.07 0.01 -0.04 1.64 1.34 1iilH1 LEU 309 HG -0.25 0.44 -0.05 -0.04 1.64 1.73 1iilH1 LEU 309 HD13 -0.25 -0.03 -0.08 -0.04 0.93 0.53 1iilH1 LEU 309 HD23 -0.65 -0.01 -0.19 -0.04 0.89 0.00 1iilH1 LYS 310 H -0.10 0.43 0.27 -0.55 8.42 8.46 1iilH1 LYS 310 HA -0.02 0.10 0.80 -0.75 4.32 4.44 1iilH1 LYS 310 HB2 -0.02 0.05 -0.13 -0.04 1.87 1.72 1iilH1 LYS 310 HB3 -0.05 0.02 0.06 -0.04 1.79 1.78 1iilH1 LYS 310 HG2 0.00 0.00 -0.47 -0.04 1.46 0.95 1iilH1 LYS 310 HG3 -0.00 0.00 -0.04 -0.04 1.46 1.37 1iilH1 LYS 310 HD2 -0.01 -0.01 -0.08 -0.04 1.69 1.55 1iilH1 LYS 310 HD3 -0.01 -0.00 -0.10 -0.04 1.68 1.52 1iilH1 LYS 310 HE2 0.01 -0.02 -0.07 -0.04 2.99 2.87 1iilH1 LYS 310 HE3 0.02 0.01 -0.12 -0.04 2.99 2.86 1iilH1 VAL 311 H -0.01 0.15 0.11 -0.55 8.24 7.94 1iilH1 VAL 311 HA 0.02 0.17 0.74 -0.75 4.13 4.31 1iilH1 VAL 311 HB 0.02 -0.01 0.12 -0.04 2.12 2.21 1iilH1 VAL 311 HG13 0.05 0.00 -0.17 -0.04 0.97 0.81 1iilH1 VAL 311 HG23 -0.00 -0.00 -0.02 -0.04 0.95 0.88 1iilH1 LEU 312 H 0.11 0.57 0.40 -0.55 8.37 8.90 1iilH1 LEU 312 HA 0.06 0.13 0.69 -0.75 4.35 4.48 1iilH1 LEU 312 HB2 0.16 -0.01 -0.00 -0.04 1.64 1.75 1iilH1 LEU 312 HB3 0.09 -0.01 0.02 -0.04 1.64 1.69 1iilH1 LEU 312 HG 0.07 0.08 -0.04 -0.04 1.64 1.71 1iilH1 LEU 312 HD13 0.20 -0.01 -0.17 -0.04 0.93 0.91 1iilH1 LEU 312 HD23 0.05 0.00 -0.13 -0.04 0.89 0.77 1iilH1 LYS 313 H 0.15 0.31 0.23 -0.55 8.42 8.56 1iilH1 LYS 313 HA 0.10 0.11 0.66 -0.75 4.32 4.44 1iilH1 LYS 313 HB2 0.11 0.04 -0.38 -0.04 1.87 1.61 1iilH1 LYS 313 HB3 0.36 -0.08 0.03 -0.04 1.79 2.07 1iilH1 LYS 313 HG2 0.16 -0.02 -0.07 -0.04 1.46 1.48 1iilH1 LYS 313 HG3 0.09 0.03 0.08 -0.04 1.46 1.61 1iilH1 LYS 313 HD2 -0.02 -0.04 0.00 -0.04 1.69 1.59 1iilH1 LYS 313 HD3 0.17 0.02 -0.04 -0.04 1.68 1.79 1iilH1 LYS 313 HE2 0.11 -0.05 -0.03 -0.04 2.99 2.98 1iilH1 LYS 313 HE3 0.06 -0.08 0.03 -0.04 2.99 2.96 1iilH1 ALA 314 H 0.09 0.26 0.14 -0.55 8.40 8.34 1iilH1 ALA 314 HA 0.01 0.18 1.01 -0.75 4.34 4.78 1iilH1 ALA 314 HB3 0.12 0.01 -0.02 -0.04 1.41 1.47 1iilH1 ALA 315 H -0.17 0.64 0.33 -0.55 8.40 8.66 1iilH1 ALA 315 HA 0.04 0.31 0.52 -0.75 4.34 4.46 1iilH1 ALA 315 HB3 -0.09 -0.05 0.18 -0.04 1.41 1.41 1iilH1 GLY 316 H 0.06 0.48 0.11 -0.55 8.43 8.54 1iilH1 GLY 316 HA2 0.08 0.08 0.32 -0.51 4.01 3.97 1iilH1 GLY 316 HA3 0.07 0.12 0.47 -0.51 4.01 4.16 1iilH1 VAL 317 H 0.03 0.21 0.13 -0.55 8.24 8.06 1iilH1 VAL 317 HA 0.03 0.07 0.37 -0.75 4.13 3.84 1iilH1 VAL 317 HB 0.02 0.05 0.06 -0.04 2.12 2.20 1iilH1 VAL 317 HG13 0.01 0.01 0.08 -0.04 0.97 1.04 1iilH1 VAL 317 HG23 0.02 0.02 0.02 -0.04 0.95 0.96 1iilH1 ASN 318 H 0.03 0.04 -0.28 -0.55 8.53 7.77 1iilH1 ASN 318 HA 0.02 0.17 0.68 -0.75 4.76 4.88 1iilH1 ASN 318 HB2 0.03 0.02 -0.01 -0.04 2.88 2.88 1iilH1 ASN 318 HB3 0.02 0.04 0.05 -0.04 2.79 2.87 1iilH1 ASN 318 HD21 0.01 0.01 -0.07 -0.04 7.03 6.95 1iilH1 ASN 318 HD22 0.02 0.08 -0.08 -0.04 7.74 7.71 1iilH1 THR 319 H 0.04 0.03 -0.38 -0.55 8.28 7.43 1iilH1 THR 319 HA 0.04 0.20 0.88 -0.75 4.39 4.76 1iilH1 THR 319 HB 0.06 0.06 0.20 -0.04 4.32 4.60 1iilH1 THR 319 HG23 0.07 -0.01 -0.09 -0.04 1.22 1.15 1iilH1 THR 320 H 0.04 0.19 -0.18 -0.55 8.28 7.78 1iilH1 THR 320 HA 0.03 0.11 0.39 -0.75 4.39 4.17 1iilH1 THR 320 HB 0.03 -0.02 0.06 -0.04 4.32 4.35 1iilH1 THR 320 HG23 0.03 -0.24 0.07 -0.04 1.22 1.04 1iilH1 ASP 321 H 0.03 0.18 0.21 -0.55 8.40 8.27 1iilH1 ASP 321 HA 0.03 0.11 0.47 -0.75 4.63 4.48 1iilH1 ASP 321 HB2 0.02 -0.00 0.09 -0.04 2.71 2.78 1iilH1 ASP 321 HB3 0.02 0.05 0.08 -0.04 2.70 2.81 1iilH1 LYS 322 H 0.03 0.01 -0.31 -0.55 8.42 7.59 1iilH1 LYS 322 HA 0.04 0.06 0.33 -0.75 4.32 4.00 1iilH1 GLU 323 H 0.05 0.27 -0.40 -0.55 8.60 7.98 1iilH1 GLU 323 HA 0.07 0.21 0.97 -0.75 4.29 4.79 1iilH1 GLU 323 HB2 0.09 0.01 0.11 -0.04 2.09 2.27 1iilH1 GLU 323 HB3 0.06 -0.07 -0.10 -0.04 1.99 1.83 1iilH1 GLU 323 HG2 0.08 0.06 -0.11 -0.04 2.34 2.34 1iilH1 GLU 323 HG3 0.07 -0.02 -0.00 -0.04 2.34 2.35 1iilH1 ILE 324 H 0.08 0.32 -0.13 -0.55 8.25 7.97 1iilH1 ILE 324 HA 0.17 0.16 0.58 -0.75 4.18 4.33 1iilH1 ILE 324 HB 0.06 0.05 0.06 -0.04 1.89 2.02 1iilH1 ILE 324 HG12 0.10 0.04 -0.14 -0.04 1.49 1.45 1iilH1 ILE 324 HG13 0.02 -0.04 -0.04 -0.04 1.21 1.10 1iilH1 ILE 324 HG23 0.02 -0.02 -0.17 -0.04 0.93 0.73 1iilH1 ILE 324 HD13 0.24 -0.02 -0.16 -0.04 0.88 0.91 1iilH1 GLU 325 H 0.11 0.17 -0.13 -0.55 8.60 8.21 1iilH1 GLU 325 HA 0.25 0.09 0.38 -0.75 4.29 4.25 1iilH1 GLU 325 HB2 0.08 0.02 0.08 -0.04 2.09 2.23 1iilH1 GLU 325 HB3 0.11 -0.02 0.14 -0.04 1.99 2.18 1iilH1 GLU 325 HG2 0.03 0.10 0.11 -0.04 2.34 2.54 1iilH1 GLU 325 HG3 0.05 -0.07 0.04 -0.04 2.34 2.31 1iilH1 VAL 326 H 0.09 0.22 -0.53 -0.55 8.24 7.47 1iilH1 VAL 326 HA -0.07 0.28 1.11 -0.75 4.13 4.70 1iilH1 VAL 326 HB -0.08 -0.05 -0.12 -0.04 2.12 1.83 1iilH1 VAL 326 HG13 -0.08 -0.01 -0.03 -0.04 0.97 0.81 1iilH1 VAL 326 HG23 -0.66 -0.02 -0.18 -0.04 0.95 0.05 1iilH1 LEU 327 H -0.65 0.72 0.30 -0.55 8.37 8.19 1iilH1 LEU 327 HA -0.55 0.19 0.95 -0.75 4.35 4.18 1iilH1 LEU 327 HB2 -2.47 0.04 -0.06 -0.04 1.64 -0.90 1iilH1 LEU 327 HB3 -1.35 -0.05 0.12 -0.04 1.64 0.32 1iilH1 LEU 327 HG -0.37 0.01 -0.42 -0.04 1.64 0.83 1iilH1 LEU 327 HD13 -0.31 -0.01 -0.04 -0.04 0.93 0.53 1iilH1 LEU 327 HD23 -0.33 -0.01 -0.14 -0.04 0.89 0.36 1iilH1 TYR 328 H -0.12 0.22 0.12 -0.55 8.29 7.97 1iilH1 TYR 328 HA -0.19 0.26 1.06 -0.75 4.56 4.93 1iilH1 TYR 328 HB2 -0.09 -0.00 0.07 -0.04 3.06 2.99 1iilH1 TYR 328 HB3 -0.10 -0.02 -0.07 -0.04 2.98 2.76 1iilH1 TYR 328 HD2 -0.09 0.03 -0.09 -0.04 7.15 6.96 1iilH1 TYR 328 HE2 -0.05 0.01 -0.09 -0.04 6.85 6.69 1iilH1 ILE 329 H -0.06 0.82 0.29 -0.55 8.25 8.74 1iilH1 ILE 329 HA -0.01 0.16 0.88 -0.75 4.18 4.45 1iilH1 ILE 329 HB -0.10 -0.04 0.07 -0.04 1.89 1.78 1iilH1 ILE 329 HG12 -0.01 0.06 -0.22 -0.04 1.49 1.27 1iilH1 ILE 329 HG13 -0.14 -0.06 -0.52 -0.04 1.21 0.45 1iilH1 ILE 329 HG23 0.03 0.01 -0.16 -0.04 0.93 0.76 1iilH1 ILE 329 HD13 -0.24 0.00 -0.18 -0.04 0.88 0.42 1iilH1 ARG 330 H -0.01 0.20 0.05 -0.55 8.46 8.15 1iilH1 ARG 330 HA -0.03 0.12 1.01 -0.75 4.34 4.69 1iilH1 ARG 330 HB2 -0.03 0.02 0.03 -0.04 1.90 1.89 1iilH1 ARG 330 HB3 -0.03 0.03 -0.01 -0.04 1.80 1.74 1iilH1 ARG 330 HG2 -0.06 0.01 -0.03 -0.04 1.67 1.56 1iilH1 ARG 330 HG3 -0.03 -0.04 -0.22 -0.04 1.67 1.34 1iilH1 ARG 330 HD2 -0.04 0.02 -0.14 -0.04 3.22 3.03 1iilH1 ARG 330 HD3 -0.07 0.02 -0.05 -0.04 3.22 3.08 1iilH1 ASN 331 H -0.04 0.17 0.02 -0.55 8.53 8.13 1iilH1 ASN 331 HA -0.04 0.19 0.22 -0.75 4.76 4.37 1iilH1 ASN 331 HB2 -0.02 0.10 0.03 -0.04 2.88 2.95 1iilH1 ASN 331 HB3 -0.03 -0.04 0.15 -0.04 2.79 2.83 1iilH1 ASN 331 HD21 -0.03 -0.04 0.02 -0.04 7.03 6.94 1iilH1 ASN 331 HD22 -0.03 0.10 0.09 -0.04 7.74 7.86 1iilH1 VAL 332 H -0.04 0.61 -0.20 -0.55 8.24 8.05 1iilH1 VAL 332 HA -0.01 0.04 0.17 -0.75 4.13 3.58 1iilH1 VAL 332 HB 0.00 0.05 -0.17 -0.04 2.12 1.95 1iilH1 VAL 332 HG13 -0.03 0.05 -0.24 -0.04 0.97 0.71 1iilH1 VAL 332 HG23 -0.06 -0.02 -0.26 -0.04 0.95 0.57 1iilH1 THR 333 H 0.00 0.11 0.17 -0.55 8.28 8.01 1iilH1 THR 333 HA -0.16 0.18 0.79 -0.75 4.39 4.45 1iilH1 THR 333 HB -0.00 -0.04 0.19 -0.04 4.32 4.42 1iilH1 THR 333 HG23 -0.01 0.07 0.01 -0.04 1.22 1.24 1iilH1 PHE 334 H -0.04 0.20 0.15 -0.55 8.34 8.10 1iilH1 PHE 334 HA 0.05 0.13 0.44 -0.75 4.62 4.48 1iilH1 PHE 334 HB2 0.03 -0.02 0.11 -0.04 3.15 3.22 1iilH1 PHE 334 HB3 0.04 0.07 0.05 -0.04 3.06 3.18 1iilH1 PHE 334 HD2 0.03 0.01 0.02 -0.04 7.28 7.30 1iilH1 PHE 334 HE2 0.02 0.07 -0.19 -0.04 7.38 7.24 1iilH1 PHE 334 HZ 0.02 -0.06 -0.11 -0.04 7.32 7.13 1iilH1 GLU 335 H 0.12 -0.02 -0.28 -0.55 8.60 7.86 1iilH1 GLU 335 HA 0.11 0.15 0.44 -0.75 4.29 4.23 1iilH1 ASP 336 H 0.10 0.13 -0.43 -0.55 8.40 7.65 1iilH1 ASP 336 HA 0.14 0.12 0.40 -0.75 4.63 4.54 1iilH1 ASP 336 HB2 0.10 0.11 -0.01 -0.04 2.71 2.87 1iilH1 ASP 336 HB3 0.19 0.02 -0.04 -0.04 2.70 2.83 1iilH1 ALA 337 H 0.18 0.15 -0.50 -0.55 8.40 7.68 1iilH1 ALA 337 HA 0.26 0.04 0.34 -0.75 4.34 4.23 1iilH1 ALA 337 HB3 0.21 -0.01 0.13 -0.04 1.41 1.70 1iilH1 GLY 338 H 0.33 0.37 0.40 -0.55 8.43 8.98 1iilH1 GLY 338 HA2 0.28 -0.05 0.35 -0.51 4.01 4.08 1iilH1 GLY 338 HA3 0.01 0.30 0.92 -0.51 4.01 4.73 1iilH1 GLU 339 H -0.34 0.20 0.24 -0.55 8.60 8.15 1iilH1 GLU 339 HA -1.04 0.23 0.98 -0.75 4.29 3.71 1iilH1 GLU 339 HB2 -1.83 -0.04 0.07 -0.04 2.09 0.25 1iilH1 GLU 339 HB3 -0.99 -0.04 0.18 -0.04 1.99 1.10 1iilH1 GLU 339 HG2 -0.94 0.00 -0.28 -0.04 2.34 1.08 1iilH1 GLU 339 HG3 -1.28 0.07 -0.05 -0.04 2.34 1.04 1iilH1 TYR 340 H -0.29 0.83 0.49 -0.55 8.29 8.77 1iilH1 TYR 340 HA -0.13 0.28 1.11 -0.75 4.56 5.08 1iilH1 TYR 340 HB2 -0.84 -0.02 0.06 -0.04 3.06 2.22 1iilH1 TYR 340 HB3 -0.31 -0.02 -0.05 -0.04 2.98 2.56 1iilH1 TYR 340 HD2 -0.15 0.01 -0.14 -0.04 7.15 6.83 1iilH1 TYR 340 HE2 0.06 0.03 -0.11 -0.04 6.85 6.78 1iilH1 THR 341 H 0.10 0.76 0.41 -0.55 8.28 9.00 1iilH1 THR 341 HA 0.03 0.30 1.29 -0.75 4.39 5.26 1iilH1 THR 341 HB -0.02 -0.06 0.02 -0.04 4.32 4.21 1iilH1 THR 341 HG23 -0.02 0.00 -0.35 -0.04 1.22 0.81 1iilH1 CYS 342 H -0.10 0.65 0.38 -0.55 8.50 8.87 1iilH1 CYS 342 HA -0.88 0.21 0.98 -0.75 4.58 4.14 1iilH1 CYS 342 HB2 -1.37 0.01 0.01 -0.04 2.97 1.57 1iilH1 CYS 342 HB3 -0.38 0.01 0.23 -0.04 2.97 2.79 1iilH1 LEU 343 H -0.32 0.74 0.34 -0.55 8.37 8.58 1iilH1 LEU 343 HA -0.03 0.22 1.09 -0.75 4.35 4.88 1iilH1 LEU 343 HB2 -0.13 -0.04 -0.10 -0.04 1.64 1.34 1iilH1 LEU 343 HB3 -0.12 -0.02 0.12 -0.04 1.64 1.58 1iilH1 LEU 343 HG -0.03 0.04 -0.29 -0.04 1.64 1.32 1iilH1 LEU 343 HD13 -0.03 0.01 -0.15 -0.04 0.93 0.72 1iilH1 LEU 343 HD23 -0.07 -0.02 -0.12 -0.04 0.89 0.64 1iilH1 ALA 344 H -0.06 0.82 0.38 -0.55 8.40 9.00 1iilH1 ALA 344 HA -0.12 0.34 1.04 -0.75 4.34 4.84 1iilH1 ALA 344 HB3 -0.12 -0.02 -0.09 -0.04 1.41 1.14 1iilH1 GLY 345 H -0.01 0.50 0.37 -0.55 8.43 8.74 1iilH1 GLY 345 HA2 -0.01 0.27 1.21 -0.51 4.01 4.98 1iilH1 GLY 345 HA3 0.01 0.01 0.38 -0.51 4.01 3.91 1iilH1 ASN 346 H -0.02 0.63 0.40 -0.55 8.53 9.00 1iilH1 ASN 346 HA -0.01 0.29 0.72 -0.75 4.76 5.01 1iilH1 ASN 346 HB2 -0.03 -0.10 0.01 -0.04 2.88 2.72 1iilH1 ASN 346 HB3 -0.03 0.11 -0.19 -0.04 2.79 2.63 1iilH1 ASN 346 HD21 -0.05 0.14 0.19 -0.04 7.03 7.27 1iilH1 ASN 346 HD22 -0.06 0.08 -0.06 -0.04 7.74 7.65 1iilH1 SER 347 H -0.02 0.17 0.10 -0.55 8.46 8.17 1iilH1 SER 347 HA -0.02 0.11 0.35 -0.75 4.49 4.17 1iilH1 SER 347 HB2 -0.02 0.04 0.08 -0.04 3.95 4.00 1iilH1 SER 347 HB3 -0.02 0.01 0.11 -0.04 3.93 3.99 1iilH1 ILE 348 H -0.04 -0.03 -0.37 -0.55 8.25 7.27 1iilH1 ILE 348 HA -0.04 0.16 0.60 -0.75 4.18 4.14 1iilH1 ILE 348 HB -0.06 -0.02 -0.24 -0.04 1.89 1.52 1iilH1 ILE 348 HG12 -0.04 0.06 -0.22 -0.04 1.49 1.24 1iilH1 ILE 348 HG13 -0.04 -0.00 -0.16 -0.04 1.21 0.96 1iilH1 ILE 348 HG23 -0.10 0.01 -0.24 -0.04 0.93 0.56 1iilH1 ILE 348 HD13 -0.04 0.02 -0.09 -0.04 0.88 0.74 1iilH1 GLY 349 H -0.04 0.08 0.02 -0.55 8.43 7.94 1iilH1 GLY 349 HA2 -0.03 0.15 0.44 -0.51 4.01 4.07 1iilH1 GLY 349 HA3 -0.05 0.02 0.36 -0.51 4.01 3.83 1iilH1 ILE 350 H -0.00 0.21 0.21 -0.55 8.25 8.11 1iilH1 ILE 350 HA 0.01 0.26 1.21 -0.75 4.18 4.90 1iilH1 ILE 350 HB 0.05 -0.03 0.09 -0.04 1.89 1.96 1iilH1 ILE 350 HG12 0.01 0.05 -0.14 -0.04 1.49 1.37 1iilH1 ILE 350 HG13 0.00 -0.09 -0.25 -0.04 1.21 0.83 1iilH1 ILE 350 HG23 0.09 0.00 -0.21 -0.04 0.93 0.78 1iilH1 ILE 350 HD13 0.00 0.00 -0.08 -0.04 0.88 0.77 1iilH1 SER 351 H 0.02 0.84 0.44 -0.55 8.46 9.22 1iilH1 SER 351 HA -0.02 0.13 0.94 -0.75 4.49 4.79 1iilH1 SER 351 HB2 -0.06 -0.06 0.01 -0.04 3.95 3.80 1iilH1 SER 351 HB3 -0.08 -0.07 0.09 -0.04 3.93 3.82 1iilH1 PHE 352 H -0.25 0.26 0.23 -0.55 8.34 8.02 1iilH1 PHE 352 HA -0.13 0.26 0.83 -0.75 4.62 4.84 1iilH1 PHE 352 HB2 -0.05 0.07 -0.03 -0.04 3.15 3.10 1iilH1 PHE 352 HB3 -0.06 -0.02 -0.18 -0.04 3.06 2.76 1iilH1 PHE 352 HD2 0.01 -0.00 -0.34 -0.04 7.28 6.91 1iilH1 PHE 352 HE2 0.03 -0.01 -0.08 -0.04 7.38 7.28 1iilH1 PHE 352 HZ 0.04 -0.01 -0.04 -0.04 7.32 7.27 1iilH1 HIS 353 H 0.10 0.49 0.38 -0.55 8.41 8.84 1iilH1 HIS 353 HA -0.00 0.10 0.91 -0.75 4.63 4.89 1iilH1 HIS 353 HB2 -0.01 0.01 0.27 -0.04 3.26 3.49 1iilH1 HIS 353 HB3 0.02 0.09 -0.01 -0.04 3.20 3.25 1iilH1 HIS 353 HD2 -0.13 0.28 -0.14 -0.04 6.97 6.94 1iilH1 HIS 353 HE1 -0.01 -0.01 -0.61 -0.04 7.75 7.08 1iilH1 SER 354 H 0.11 0.16 0.20 -0.55 8.46 8.37 1iilH1 SER 354 HA 0.03 0.32 1.26 -0.75 4.49 5.34 1iilH1 SER 354 HB2 -0.02 -0.06 0.01 -0.04 3.95 3.85 1iilH1 SER 354 HB3 -0.28 0.04 -0.01 -0.04 3.93 3.63 1iilH1 ALA 355 H -0.14 0.75 0.43 -0.55 8.40 8.89 1iilH1 ALA 355 HA 0.14 0.09 0.72 -0.75 4.34 4.55 1iilH1 ALA 355 HB3 0.11 0.07 -0.42 -0.04 1.41 1.13 1iilH1 TRP 356 H 0.37 0.12 0.21 -0.55 7.97 8.12 1iilH1 TRP 356 HA 0.12 0.33 1.18 -0.75 4.62 5.49 1iilH1 TRP 356 HB2 0.07 -0.06 0.09 -0.04 3.23 3.29 1iilH1 TRP 356 HB3 0.09 0.01 -0.08 -0.04 3.23 3.21 1iilH1 TRP 356 HD1 0.07 0.06 -0.08 -0.04 7.22 7.23 1iilH1 TRP 356 HE1 -0.00 -0.00 -0.06 -0.04 10.20 10.09 1iilH1 TRP 356 HE3 0.02 -0.02 -0.12 -0.04 7.59 7.43 1iilH1 TRP 356 HZ2 -0.04 0.01 -0.03 -0.04 7.44 7.34 1iilH1 TRP 356 HZ3 0.00 0.01 -0.07 -0.04 7.13 7.03 1iilH1 TRP 356 HH2 -0.01 0.00 -0.04 -0.04 7.19 7.09 1iilH1 LEU 357 H 0.40 0.75 0.39 -0.55 8.37 9.37 1iilH1 LEU 357 HA 0.33 0.27 1.03 -0.75 4.35 5.22 1iilH1 LEU 357 HB2 0.47 -0.00 -0.04 -0.04 1.64 2.03 1iilH1 LEU 357 HB3 0.50 0.06 0.19 -0.04 1.64 2.35 1iilH1 LEU 357 HG 0.21 -0.09 -0.52 -0.04 1.64 1.20 1iilH1 LEU 357 HD13 0.05 0.02 -0.21 -0.04 0.93 0.74 1iilH1 LEU 357 HD23 0.20 0.09 -0.32 -0.04 0.89 0.81 1iilH1 THR 358 H 0.18 0.73 0.43 -0.55 8.28 9.07 1iilH1 THR 358 HA 0.18 0.11 0.89 -0.75 4.39 4.82 1iilH1 THR 358 HB 0.10 -0.06 0.20 -0.04 4.32 4.52 1iilH1 THR 358 HG23 0.08 -0.00 -0.14 -0.04 1.22 1.12 1iilH1 VAL 359 H 0.18 0.20 0.16 -0.55 8.24 8.24 1iilH1 VAL 359 HA 0.09 0.35 1.01 -0.75 4.13 4.83 1iilH1 VAL 359 HB 0.39 -0.04 0.07 -0.04 2.12 2.50 1iilH1 VAL 359 HG13 -0.14 -0.01 -0.37 -0.04 0.97 0.41 1iilH1 VAL 359 HG23 0.15 0.03 -0.25 -0.04 0.95 0.83 1iilH1 LEU 360 H 0.08 0.69 0.39 -0.55 8.37 8.99 1iilH1 LEU 360 HA 0.21 0.19 0.98 -0.75 4.35 4.98 1iilH1 LEU 360 HB2 0.06 -0.02 0.00 -0.04 1.64 1.64 1iilH1 LEU 360 HB3 0.08 0.06 0.07 -0.04 1.64 1.81 1iilH1 LEU 360 HG 0.07 -0.03 -0.22 -0.04 1.64 1.43 1iilH1 LEU 360 HD13 0.04 -0.01 -0.10 -0.04 0.93 0.82 1iilH1 LEU 360 HD23 0.07 0.02 -0.13 -0.04 0.89 0.81 1iilH1 PRO 361 HA 0.27 -0.02 0.43 -0.51 4.44 4.61 1iilH1 PRO 361 HB2 0.10 0.15 0.06 -0.04 2.28 2.55 1iilH1 PRO 361 HB3 0.16 -0.03 0.13 -0.04 2.02 2.24 1iilH1 PRO 361 HG2 0.07 0.04 0.10 -0.04 2.03 2.20 1iilH1 PRO 361 HG3 0.21 0.02 0.09 -0.04 2.03 2.30 1iilH1 PRO 361 HD2 0.10 0.13 0.21 -0.04 3.68 4.08 1iilH1 PRO 361 HD3 0.17 0.18 0.32 -0.04 3.65 4.28 1iilH1 ALA 362 H 0.08 0.01 0.10 -0.55 8.40 8.04 1iilH1 ALA 362 HA 0.02 0.15 0.60 -0.75 4.34 4.35 1iilH1 ALA 362 HB3 0.01 -0.01 0.13 -0.04 1.41 1.50 1iilH1 PRO 363 HA 0.01 0.08 0.33 -0.51 4.44 4.35 1iilH1 PRO 363 HB2 0.01 -0.34 0.23 -0.04 2.28 2.13 1iilH1 PRO 363 HB3 0.01 0.06 0.14 -0.04 2.02 2.19 1iilH1 PRO 363 HG2 0.01 0.06 0.04 -0.04 2.03 2.10 1iilH1 PRO 363 HG3 0.01 0.06 0.09 -0.04 2.03 2.15 1iilH1 PRO 363 HD2 0.01 0.07 0.20 -0.04 3.68 3.92 1iilH1 PRO 363 HD3 0.01 0.14 0.16 -0.04 3.65 3.92 1iilH1 GLY 364 H 0.01 0.07 0.02 -0.55 8.43 7.98 1iilH1 GLY 364 HA2 0.02 0.16 0.21 -0.51 4.01 3.89 1iilH1 GLY 364 HA3 0.01 0.10 0.21 -0.51 4.01 3.83