============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 15 0.840 -55.152 75.740 69.211 -99.200 -91.000 TRP 17 1.040 -60.521 68.303 64.845 -99.200 -91.000 TRP6 17 1.020 -61.158 69.158 62.739 -99.200 -91.000 PHE 23 1.000 -70.681 73.866 62.423 -99.200 -91.000 TYR 45 0.840 -60.765 72.382 52.863 -99.200 -91.000 HIS 51 0.900 -64.421 61.096 49.824 -99.200 -91.000 PHE 53 1.000 -69.358 60.459 58.388 -99.200 -91.000 TYR 58 0.840 -71.023 55.814 60.446 -99.200 -91.000 PHE 93 1.000 -73.190 66.238 47.430 -99.200 -91.000 HIS 116 0.900 -52.386 78.338 51.225 -99.200 -91.000 TYR 119 0.840 -54.203 78.242 41.478 -99.200 -91.000 PHE 136 1.000 -77.297 75.882 52.869 -99.200 -91.000 HIS 143 0.900 -55.833 81.620 62.464 -99.200 -91.000 TYR 144 0.840 -58.238 86.724 57.032 -99.200 -91.000 PHE 151 1.000 -61.826 84.317 55.489 -99.200 -91.000 HIS 166 0.900 -78.200 79.561 49.899 -99.200 -91.000 PHE 167 1.000 -70.359 84.856 54.301 -99.200 -91.000 PHE 168 1.000 -75.473 80.756 58.372 -99.200 -91.000 PHE 188 1.000 -85.877 74.409 52.507 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2b2xA1 GLN 146 HA 0.04 0.32 0.34 -0.75 4.36 4.30 2b2xA1 GLN 146 HB2 0.03 -0.07 0.02 -0.04 2.15 2.09 2b2xA1 GLN 146 HB3 0.03 -0.00 0.07 -0.04 2.02 2.08 2b2xA1 GLN 146 HG2 0.04 -0.02 0.10 -0.04 2.40 2.48 2b2xA1 GLN 146 HG3 0.04 -0.02 0.23 -0.04 2.39 2.61 2b2xA1 GLN 146 HE21 0.02 -0.02 0.02 -0.04 6.97 6.95 2b2xA1 GLN 146 HE22 0.03 -0.00 0.05 -0.04 7.69 7.73 2b2xA1 LEU 147 H 0.04 0.23 0.22 -0.55 8.37 8.32 2b2xA1 LEU 147 HA 0.03 -0.07 0.65 -0.75 4.35 4.20 2b2xA1 LEU 147 HB2 0.04 0.19 0.09 -0.04 1.64 1.92 2b2xA1 LEU 147 HB3 0.05 0.09 -0.07 -0.04 1.64 1.67 2b2xA1 LEU 147 HG 0.03 -0.07 -0.11 -0.04 1.64 1.45 2b2xA1 LEU 147 HD13 0.01 0.02 -0.05 -0.04 0.93 0.87 2b2xA1 LEU 147 HD23 0.04 0.00 -0.00 -0.04 0.89 0.89 2b2xA1 ASP 148 H 0.04 0.23 0.11 -0.55 8.40 8.23 2b2xA1 ASP 148 HA 0.11 0.06 0.74 -0.75 4.63 4.78 2b2xA1 ASP 148 HB2 0.11 0.04 0.08 -0.04 2.71 2.90 2b2xA1 ASP 148 HB3 0.27 -0.03 -0.09 -0.04 2.70 2.82 2b2xA1 ILE 149 H 0.13 1.00 0.50 -0.55 8.25 9.32 2b2xA1 ILE 149 HA 0.22 0.30 1.17 -0.75 4.18 5.11 2b2xA1 ILE 149 HB 0.06 -0.04 0.16 -0.04 1.89 2.03 2b2xA1 ILE 149 HG12 0.06 0.03 -0.18 -0.04 1.49 1.36 2b2xA1 ILE 149 HG13 0.05 0.17 -0.12 -0.04 1.21 1.28 2b2xA1 ILE 149 HG23 0.04 -0.03 -0.21 -0.04 0.93 0.69 2b2xA1 ILE 149 HD13 -0.03 -0.01 -0.09 -0.04 0.88 0.70 2b2xA1 VAL 150 H 0.19 0.85 0.41 -0.55 8.24 9.14 2b2xA1 VAL 150 HA -0.05 0.32 1.18 -0.75 4.13 4.82 2b2xA1 VAL 150 HB -0.55 0.04 0.10 -0.04 2.12 1.67 2b2xA1 VAL 150 HG13 -0.24 -0.05 -0.26 -0.04 0.97 0.38 2b2xA1 VAL 150 HG23 -0.48 -0.02 -0.24 -0.04 0.95 0.16 2b2xA1 ILE 151 H -0.03 0.69 0.42 -0.55 8.25 8.78 2b2xA1 ILE 151 HA 0.05 0.14 0.98 -0.75 4.18 4.60 2b2xA1 ILE 151 HB 0.00 -0.10 0.18 -0.04 1.89 1.94 2b2xA1 ILE 151 HG12 0.03 0.04 -0.11 -0.04 1.49 1.41 2b2xA1 ILE 151 HG13 0.02 0.05 -0.09 -0.04 1.21 1.14 2b2xA1 ILE 151 HG23 0.10 -0.01 -0.14 -0.04 0.93 0.84 2b2xA1 ILE 151 HD13 -0.01 -0.01 -0.09 -0.04 0.88 0.73 2b2xA1 VAL 152 H 0.07 0.95 0.37 -0.55 8.24 9.08 2b2xA1 VAL 152 HA 0.06 0.20 0.95 -0.75 4.13 4.58 2b2xA1 VAL 152 HB 0.07 -0.06 0.15 -0.04 2.12 2.24 2b2xA1 VAL 152 HG13 0.02 -0.03 -0.26 -0.04 0.97 0.65 2b2xA1 VAL 152 HG23 -0.02 0.02 -0.16 -0.04 0.95 0.76 2b2xA1 LEU 153 H 0.14 0.88 0.38 -0.55 8.37 9.23 2b2xA1 LEU 153 HA 0.16 0.08 0.86 -0.75 4.35 4.70 2b2xA1 LEU 153 HB2 0.16 0.10 0.08 -0.04 1.64 1.93 2b2xA1 LEU 153 HB3 0.30 -0.05 -0.12 -0.04 1.64 1.73 2b2xA1 LEU 153 HG 0.09 -0.02 -0.04 -0.04 1.64 1.63 2b2xA1 LEU 153 HD13 0.11 0.02 -0.18 -0.04 0.93 0.84 2b2xA1 LEU 153 HD23 0.10 0.00 -0.11 -0.04 0.89 0.84 2b2xA1 ASP 154 H 0.09 0.38 0.34 -0.55 8.40 8.67 2b2xA1 ASP 154 HA -1.12 0.06 0.66 -0.75 4.63 3.48 2b2xA1 ASP 154 HB2 0.01 0.08 0.28 -0.04 2.71 3.04 2b2xA1 ASP 154 HB3 0.03 0.06 0.36 -0.04 2.70 3.10 2b2xA1 GLY 155 H -0.39 0.88 0.40 -0.55 8.43 8.78 2b2xA1 GLY 155 HA2 -0.12 0.20 0.92 -0.51 4.01 4.51 2b2xA1 GLY 155 HA3 -0.32 -0.05 0.37 -0.51 4.01 3.50 2b2xA1 SER 156 H -0.16 0.01 -0.08 -0.55 8.46 7.69 2b2xA1 SER 156 HA -0.11 0.09 0.15 -0.75 4.49 3.86 2b2xA1 SER 156 HB2 -0.05 0.10 -0.01 -0.04 3.95 3.95 2b2xA1 SER 156 HB3 -0.09 0.05 0.09 -0.04 3.93 3.94 2b2xA1 ASN 157 H -0.06 0.61 0.27 -0.55 8.53 8.81 2b2xA1 ASN 157 HA -0.04 0.06 0.37 -0.75 4.76 4.40 2b2xA1 ASN 157 HB2 -0.05 -0.00 0.14 -0.04 2.88 2.93 2b2xA1 ASN 157 HB3 -0.04 0.06 -0.01 -0.04 2.79 2.76 2b2xA1 ASN 157 HD21 -0.05 -0.03 -0.06 -0.04 7.03 6.85 2b2xA1 ASN 157 HD22 -0.05 0.05 -0.00 -0.04 7.74 7.70 2b2xA1 SER 158 H -0.04 -0.02 -0.34 -0.55 8.46 7.50 2b2xA1 SER 158 HA -0.07 0.09 0.29 -0.75 4.49 4.05 2b2xA1 SER 158 HB2 -0.43 0.03 -0.05 -0.04 3.95 3.47 2b2xA1 SER 158 HB3 -0.22 0.00 -0.00 -0.04 3.93 3.67 2b2xA1 ILE 159 H 0.07 0.25 -0.35 -0.55 8.25 7.66 2b2xA1 ILE 159 HA 0.22 -0.07 0.37 -0.75 4.18 3.94 2b2xA1 ILE 159 HB 0.13 0.13 -0.03 -0.04 1.89 2.08 2b2xA1 ILE 159 HG12 0.07 -0.16 -0.09 -0.04 1.49 1.27 2b2xA1 ILE 159 HG13 0.11 0.27 -0.16 -0.04 1.21 1.39 2b2xA1 ILE 159 HG23 0.37 -0.02 -0.19 -0.04 0.93 1.04 2b2xA1 ILE 159 HD13 0.14 -0.03 -0.05 -0.04 0.88 0.89 2b2xA1 TYR 160 H 0.23 0.14 0.11 -0.55 8.29 8.22 2b2xA1 TYR 160 HA 0.13 -0.15 0.45 -0.75 4.56 4.23 2b2xA1 TYR 160 HB2 0.09 0.32 -0.20 -0.04 3.06 3.22 2b2xA1 TYR 160 HB3 0.08 0.02 -0.02 -0.04 2.98 3.03 2b2xA1 TYR 160 HD2 0.04 0.04 -0.13 -0.04 7.15 7.06 2b2xA1 TYR 160 HE2 0.03 0.00 -0.00 -0.04 6.85 6.84 2b2xA1 PRO 161 HA -0.53 0.17 0.44 -0.51 4.44 4.02 2b2xA1 PRO 161 HB2 -0.25 -0.06 0.08 -0.04 2.28 2.01 2b2xA1 PRO 161 HB3 -0.71 0.16 0.12 -0.04 2.02 1.54 2b2xA1 PRO 161 HG2 -0.10 -0.20 0.14 -0.04 2.03 1.83 2b2xA1 PRO 161 HG3 -0.12 0.14 0.10 -0.04 2.03 2.11 2b2xA1 PRO 161 HD2 -0.01 0.00 0.47 -0.04 3.68 4.10 2b2xA1 PRO 161 HD3 0.00 0.19 0.06 -0.04 3.65 3.86 2b2xA1 TRP 162 H 0.11 0.28 0.13 -0.55 7.97 7.94 2b2xA1 TRP 162 HA -0.04 0.09 0.37 -0.75 4.62 4.28 2b2xA1 TRP 162 HB2 -0.03 0.08 0.11 -0.04 3.23 3.34 2b2xA1 TRP 162 HB3 -0.05 0.04 0.07 -0.04 3.23 3.25 2b2xA1 TRP 162 HD1 -0.01 0.06 -0.01 -0.04 7.22 7.21 2b2xA1 TRP 162 HE1 0.00 0.55 -0.15 -0.04 10.20 10.57 2b2xA1 TRP 162 HE3 -0.01 -0.04 -0.03 -0.04 7.59 7.46 2b2xA1 TRP 162 HZ2 0.00 0.08 -0.30 -0.04 7.44 7.18 2b2xA1 TRP 162 HZ3 -0.03 0.21 -0.00 -0.04 7.13 7.27 2b2xA1 TRP 162 HH2 -0.02 0.01 -0.18 -0.04 7.19 6.95 2b2xA1 GLU 163 H -0.02 0.01 -0.43 -0.55 8.60 7.62 2b2xA1 GLU 163 HA -0.11 0.19 0.46 -0.75 4.29 4.07 2b2xA1 GLU 163 HB2 -0.07 -0.05 0.04 -0.04 2.09 1.97 2b2xA1 GLU 163 HB3 -0.06 0.08 -0.02 -0.04 1.99 1.95 2b2xA1 GLU 163 HG2 -0.03 0.06 0.01 -0.04 2.34 2.34 2b2xA1 GLU 163 HG3 -0.00 0.10 0.01 -0.04 2.34 2.41 2b2xA1 SER 164 H -0.09 0.21 -0.13 -0.55 8.46 7.90 2b2xA1 SER 164 HA -0.07 0.09 0.43 -0.75 4.49 4.19 2b2xA1 SER 164 HB2 -0.06 0.05 -0.01 -0.04 3.95 3.89 2b2xA1 SER 164 HB3 -0.05 0.34 -0.09 -0.04 3.93 4.09 2b2xA1 VAL 165 H -0.22 0.17 -0.37 -0.55 8.24 7.27 2b2xA1 VAL 165 HA -0.17 0.07 0.41 -0.75 4.13 3.70 2b2xA1 VAL 165 HB -0.92 0.14 0.07 -0.04 2.12 1.37 2b2xA1 VAL 165 HG13 -0.45 0.01 -0.13 -0.04 0.97 0.36 2b2xA1 VAL 165 HG23 -0.03 0.01 -0.03 -0.04 0.95 0.86 2b2xA1 ILE 166 H -0.51 0.38 -0.19 -0.55 8.25 7.38 2b2xA1 ILE 166 HA -0.30 0.05 0.42 -0.75 4.18 3.60 2b2xA1 ILE 166 HB -0.27 0.06 0.15 -0.04 1.89 1.80 2b2xA1 ILE 166 HG12 -1.20 0.15 0.11 -0.04 1.49 0.51 2b2xA1 ILE 166 HG13 -0.31 0.09 0.02 -0.04 1.21 0.98 2b2xA1 ILE 166 HG23 -0.11 0.02 -0.11 -0.04 0.93 0.68 2b2xA1 ILE 166 HD13 -0.34 0.01 -0.05 -0.04 0.88 0.45 2b2xA1 ALA 167 H -0.14 0.42 -0.22 -0.55 8.40 7.92 2b2xA1 ALA 167 HA -0.08 0.04 0.41 -0.75 4.34 3.96 2b2xA1 ALA 167 HB3 -0.05 0.02 0.09 -0.04 1.41 1.43 2b2xA1 PHE 168 H 0.04 0.28 -0.60 -0.55 8.34 7.50 2b2xA1 PHE 168 HA -0.10 0.00 0.36 -0.75 4.62 4.13 2b2xA1 PHE 168 HB2 -0.11 -0.08 -0.03 -0.04 3.15 2.89 2b2xA1 PHE 168 HB3 -0.15 0.26 0.18 -0.04 3.06 3.30 2b2xA1 PHE 168 HD2 -0.11 0.04 -0.18 -0.04 7.28 6.99 2b2xA1 PHE 168 HE2 -0.12 -0.01 -0.15 -0.04 7.38 7.05 2b2xA1 PHE 168 HZ -0.13 0.04 -0.18 -0.04 7.32 7.01 2b2xA1 LEU 169 H -0.01 0.45 -0.04 -0.55 8.37 8.23 2b2xA1 LEU 169 HA -0.38 0.03 0.30 -0.75 4.35 3.54 2b2xA1 LEU 169 HB2 -0.11 0.10 0.14 -0.04 1.64 1.73 2b2xA1 LEU 169 HB3 -0.08 -0.01 -0.04 -0.04 1.64 1.47 2b2xA1 LEU 169 HG -0.01 0.08 0.02 -0.04 1.64 1.68 2b2xA1 LEU 169 HD13 -0.04 -0.01 -0.04 -0.04 0.93 0.80 2b2xA1 LEU 169 HD23 0.02 -0.01 -0.05 -0.04 0.89 0.80 2b2xA1 ASN 170 H -0.13 0.58 -0.24 -0.55 8.53 8.19 2b2xA1 ASN 170 HA -0.10 -0.01 0.33 -0.75 4.76 4.23 2b2xA1 ASN 170 HB2 -0.09 0.09 0.11 -0.04 2.88 2.95 2b2xA1 ASN 170 HB3 -0.09 0.08 0.16 -0.04 2.79 2.89 2b2xA1 ASN 170 HD21 -0.06 -0.03 -0.10 -0.04 7.03 6.80 2b2xA1 ASN 170 HD22 -0.08 0.06 -0.34 -0.04 7.74 7.35 2b2xA1 ASP 171 H -0.13 0.60 -0.05 -0.55 8.40 8.27 2b2xA1 ASP 171 HA -0.10 -0.02 0.32 -0.75 4.63 4.08 2b2xA1 ASP 171 HB2 -0.08 0.02 0.18 -0.04 2.71 2.79 2b2xA1 ASP 171 HB3 -0.13 0.04 0.11 -0.04 2.70 2.69 2b2xA1 LEU 172 H -0.29 0.40 -0.73 -0.55 8.37 7.19 2b2xA1 LEU 172 HA -0.21 0.11 0.85 -0.75 4.35 4.34 2b2xA1 LEU 172 HB2 -0.70 0.04 -0.00 -0.04 1.64 0.93 2b2xA1 LEU 172 HB3 -0.42 0.04 0.05 -0.04 1.64 1.27 2b2xA1 LEU 172 HG -0.30 -0.05 -0.00 -0.04 1.64 1.25 2b2xA1 LEU 172 HD13 -0.43 -0.02 -0.15 -0.04 0.93 0.30 2b2xA1 LEU 172 HD23 -0.19 0.00 -0.12 -0.04 0.89 0.55 2b2xA1 LEU 173 H -0.18 0.82 0.25 -0.55 8.37 8.72 2b2xA1 LEU 173 HA -0.09 0.08 0.44 -0.75 4.35 4.02 2b2xA1 LEU 173 HB2 -0.09 0.02 0.01 -0.04 1.64 1.53 2b2xA1 LEU 173 HB3 -0.05 -0.05 -0.00 -0.04 1.64 1.49 2b2xA1 LEU 173 HG -0.12 0.12 0.02 -0.04 1.64 1.63 2b2xA1 LEU 173 HD13 0.02 -0.03 -0.13 -0.04 0.93 0.75 2b2xA1 LEU 173 HD23 -0.03 -0.01 -0.10 -0.04 0.89 0.72 2b2xA1 LYS 174 H -0.10 0.44 -0.22 -0.55 8.42 8.00 2b2xA1 LYS 174 HA -0.06 0.09 0.55 -0.75 4.32 4.14 2b2xA1 LYS 174 HB2 -0.05 -0.07 0.07 -0.04 1.87 1.77 2b2xA1 LYS 174 HB3 -0.07 -0.01 0.05 -0.04 1.79 1.72 2b2xA1 LYS 174 HG2 -0.09 0.13 -0.09 -0.04 1.46 1.37 2b2xA1 LYS 174 HG3 -0.06 0.02 -0.30 -0.04 1.46 1.08 2b2xA1 LYS 174 HD2 -0.05 -0.06 -0.06 -0.04 1.69 1.48 2b2xA1 LYS 174 HD3 -0.06 -0.04 -0.13 -0.04 1.68 1.40 2b2xA1 LYS 174 HE2 -0.07 0.05 0.02 -0.04 2.99 2.95 2b2xA1 LYS 174 HE3 -0.05 0.01 -0.05 -0.04 2.99 2.86 2b2xA1 ARG 175 H -0.08 0.30 -0.43 -0.55 8.46 7.70 2b2xA1 ARG 175 HA -0.04 0.08 0.60 -0.75 4.34 4.22 2b2xA1 ARG 175 HB2 -0.07 0.19 0.06 -0.04 1.90 2.03 2b2xA1 ARG 175 HB3 -0.05 -0.05 0.15 -0.04 1.80 1.81 2b2xA1 ARG 175 HG2 -0.04 -0.06 -0.01 -0.04 1.67 1.51 2b2xA1 ARG 175 HG3 -0.07 0.01 -0.06 -0.04 1.67 1.51 2b2xA1 ARG 175 HD2 -0.08 0.11 0.05 -0.04 3.22 3.26 2b2xA1 ARG 175 HD3 -0.05 -0.03 0.02 -0.04 3.22 3.12 2b2xA1 MET 176 H -0.05 0.25 -0.56 -0.55 8.47 7.57 2b2xA1 MET 176 HA -0.02 0.20 0.93 -0.75 4.52 4.87 2b2xA1 MET 176 HB2 -0.03 0.02 -0.05 -0.04 2.15 2.06 2b2xA1 MET 176 HB3 -0.02 0.02 -0.07 -0.04 2.03 1.93 2b2xA1 MET 176 HG2 -0.05 0.04 -0.22 -0.04 2.63 2.36 2b2xA1 MET 176 HG3 -0.07 0.04 -0.10 -0.04 2.56 2.40 2b2xA1 MET 176 HE3 -0.02 -0.01 -0.06 -0.04 2.10 1.97 2b2xA1 ASP 177 H -0.00 0.24 0.08 -0.55 8.40 8.16 2b2xA1 ASP 177 HA -0.01 0.07 0.79 -0.75 4.63 4.72 2b2xA1 ASP 177 HB2 -0.00 0.02 0.05 -0.04 2.71 2.73 2b2xA1 ASP 177 HB3 0.01 0.04 0.19 -0.04 2.70 2.89 2b2xA1 ILE 178 H -0.00 0.09 0.10 -0.55 8.25 7.89 2b2xA1 ILE 178 HA 0.02 0.32 0.97 -0.75 4.18 4.74 2b2xA1 ILE 178 HB 0.00 -0.23 -0.26 -0.04 1.89 1.36 2b2xA1 ILE 178 HG12 0.02 0.23 -0.13 -0.04 1.49 1.57 2b2xA1 ILE 178 HG13 -0.00 -0.05 -0.29 -0.04 1.21 0.82 2b2xA1 ILE 178 HG23 0.04 0.07 -0.16 -0.04 0.93 0.84 2b2xA1 ILE 178 HD13 0.00 -0.02 -0.04 -0.04 0.88 0.78 2b2xA1 GLY 179 H 0.03 0.27 0.14 -0.55 8.43 8.33 2b2xA1 GLY 179 HA2 0.02 0.37 0.54 -0.51 4.01 4.43 2b2xA1 GLY 179 HA3 0.02 0.02 0.39 -0.51 4.01 3.92 2b2xA1 PRO 180 HA 0.03 0.12 0.41 -0.51 4.44 4.48 2b2xA1 PRO 180 HB2 0.01 0.01 0.03 -0.04 2.28 2.29 2b2xA1 PRO 180 HB3 0.01 0.05 0.10 -0.04 2.02 2.15 2b2xA1 PRO 180 HG2 0.01 0.02 0.09 -0.04 2.03 2.11 2b2xA1 PRO 180 HG3 0.01 0.08 0.08 -0.04 2.03 2.16 2b2xA1 PRO 180 HD2 0.01 0.09 0.22 -0.04 3.68 3.97 2b2xA1 PRO 180 HD3 0.02 0.17 0.29 -0.04 3.65 4.10 2b2xA1 LYS 181 H 0.02 0.03 -0.51 -0.55 8.42 7.40 2b2xA1 LYS 181 HA 0.02 0.24 0.80 -0.75 4.32 4.63 2b2xA1 LYS 181 HB2 0.01 -0.04 0.02 -0.04 1.87 1.82 2b2xA1 LYS 181 HB3 0.01 0.04 0.17 -0.04 1.79 1.97 2b2xA1 LYS 181 HG2 0.01 -0.09 -0.33 -0.04 1.46 1.01 2b2xA1 LYS 181 HG3 0.01 -0.03 -0.05 -0.04 1.46 1.35 2b2xA1 LYS 181 HD2 0.01 -0.05 -0.04 -0.04 1.69 1.57 2b2xA1 LYS 181 HD3 0.01 -0.00 0.01 -0.04 1.68 1.66 2b2xA1 LYS 181 HE2 0.02 0.07 0.17 -0.04 2.99 3.21 2b2xA1 LYS 181 HE3 0.02 0.08 -0.10 -0.04 2.99 2.94 2b2xA1 GLN 182 H 0.02 0.51 -0.31 -0.55 8.47 8.14 2b2xA1 GLN 182 HA 0.02 0.21 0.91 -0.75 4.36 4.75 2b2xA1 GLN 182 HB2 0.02 -0.22 0.09 -0.04 2.15 2.01 2b2xA1 GLN 182 HB3 0.02 0.34 0.08 -0.04 2.02 2.41 2b2xA1 GLN 182 HG2 0.01 -0.22 -0.49 -0.04 2.40 1.67 2b2xA1 GLN 182 HG3 0.01 -0.01 -0.32 -0.04 2.39 2.03 2b2xA1 GLN 182 HE21 0.01 -0.01 -0.03 -0.04 6.97 6.89 2b2xA1 GLN 182 HE22 0.01 -0.06 -0.09 -0.04 7.69 7.51 2b2xA1 THR 183 H 0.03 0.07 0.30 -0.55 8.28 8.13 2b2xA1 THR 183 HA 0.04 0.07 0.77 -0.75 4.39 4.52 2b2xA1 THR 183 HB 0.03 0.12 0.08 -0.04 4.32 4.51 2b2xA1 THR 183 HG23 0.03 -0.03 -0.11 -0.04 1.22 1.07 2b2xA1 GLN 184 H 0.06 0.17 0.10 -0.55 8.47 8.26 2b2xA1 GLN 184 HA 0.07 0.11 0.90 -0.75 4.36 4.69 2b2xA1 GLN 184 HB2 0.09 -0.12 0.08 -0.04 2.15 2.15 2b2xA1 GLN 184 HB3 0.09 0.44 0.16 -0.04 2.02 2.68 2b2xA1 GLN 184 HG2 0.05 -0.05 -0.15 -0.04 2.40 2.21 2b2xA1 GLN 184 HG3 0.05 -0.04 -0.10 -0.04 2.39 2.26 2b2xA1 GLN 184 HE21 0.03 -0.05 -0.04 -0.04 6.97 6.88 2b2xA1 GLN 184 HE22 0.04 -0.08 -0.09 -0.04 7.69 7.52 2b2xA1 VAL 185 H 0.14 0.26 0.23 -0.55 8.24 8.32 2b2xA1 VAL 185 HA 0.11 0.45 1.15 -0.75 4.13 5.09 2b2xA1 VAL 185 HB 0.07 0.05 -0.15 -0.04 2.12 2.05 2b2xA1 VAL 185 HG13 0.15 -0.02 0.01 -0.04 0.97 1.07 2b2xA1 VAL 185 HG23 0.10 -0.02 -0.20 -0.04 0.95 0.78 2b2xA1 GLY 186 H 0.06 0.83 0.52 -0.55 8.43 9.29 2b2xA1 GLY 186 HA2 0.11 0.25 0.81 -0.51 4.01 4.66 2b2xA1 GLY 186 HA3 0.00 -0.07 0.25 -0.51 4.01 3.69 2b2xA1 ILE 187 H -0.79 0.34 0.27 -0.55 8.25 7.52 2b2xA1 ILE 187 HA -0.15 0.25 1.24 -0.75 4.18 4.76 2b2xA1 ILE 187 HB -0.73 -0.05 0.13 -0.04 1.89 1.21 2b2xA1 ILE 187 HG12 -0.06 0.02 -0.04 -0.04 1.49 1.37 2b2xA1 ILE 187 HG13 -0.18 -0.01 -0.38 -0.04 1.21 0.60 2b2xA1 ILE 187 HG23 -0.05 -0.01 -0.13 -0.04 0.93 0.70 2b2xA1 ILE 187 HD13 0.10 0.00 -0.06 -0.04 0.88 0.87 2b2xA1 VAL 188 H -0.06 0.97 0.46 -0.55 8.24 9.07 2b2xA1 VAL 188 HA -0.08 0.12 1.12 -0.75 4.13 4.53 2b2xA1 VAL 188 HB -0.05 -0.00 0.08 -0.04 2.12 2.10 2b2xA1 VAL 188 HG13 -0.14 -0.00 -0.26 -0.04 0.97 0.53 2b2xA1 VAL 188 HG23 -0.10 -0.01 -0.21 -0.04 0.95 0.59 2b2xA1 GLN 189 H -0.01 0.65 0.38 -0.55 8.47 8.95 2b2xA1 GLN 189 HA 0.12 0.31 1.18 -0.75 4.36 5.22 2b2xA1 GLN 189 HB2 0.11 -0.00 0.01 -0.04 2.15 2.23 2b2xA1 GLN 189 HB3 0.02 0.01 0.13 -0.04 2.02 2.14 2b2xA1 GLN 189 HG2 -0.08 -0.04 -0.18 -0.04 2.40 2.07 2b2xA1 GLN 189 HG3 0.03 0.08 0.00 -0.04 2.39 2.45 2b2xA1 GLN 189 HE21 -0.09 0.53 0.04 -0.04 6.97 7.41 2b2xA1 GLN 189 HE22 0.07 -0.02 -0.02 -0.04 7.69 7.68 2b2xA1 TYR 190 H -0.05 0.66 0.42 -0.55 8.29 8.77 2b2xA1 TYR 190 HA -0.04 0.36 1.06 -0.75 4.56 5.19 2b2xA1 TYR 190 HB2 -0.02 -0.02 -0.13 -0.04 3.06 2.85 2b2xA1 TYR 190 HB3 -0.03 0.03 -0.28 -0.04 2.98 2.65 2b2xA1 TYR 190 HD2 0.01 0.08 -0.38 -0.04 7.15 6.82 2b2xA1 TYR 190 HE2 0.05 -0.02 -0.42 -0.04 6.85 6.42 2b2xA1 GLY 191 H 0.09 0.49 -0.02 -0.55 8.43 8.44 2b2xA1 GLY 191 HA2 -0.11 -0.02 0.57 -0.51 4.01 3.94 2b2xA1 GLY 191 HA3 -0.09 0.24 0.40 -0.51 4.01 4.05 2b2xA1 GLU 192 H -0.04 0.27 0.29 -0.55 8.60 8.58 2b2xA1 GLU 192 HA -0.02 0.01 0.55 -0.75 4.29 4.07 2b2xA1 GLU 192 HB2 -0.03 0.11 0.08 -0.04 2.09 2.20 2b2xA1 GLU 192 HB3 -0.03 0.07 0.08 -0.04 1.99 2.07 2b2xA1 GLU 192 HG2 -0.07 -0.08 0.14 -0.04 2.34 2.29 2b2xA1 GLU 192 HG3 -0.06 -0.02 0.30 -0.04 2.34 2.52 2b2xA1 ASN 193 H -0.00 0.09 0.08 -0.55 8.53 8.14 2b2xA1 ASN 193 HA 0.01 0.20 0.68 -0.75 4.76 4.91 2b2xA1 ASN 193 HB2 -0.00 0.07 0.09 -0.04 2.88 3.00 2b2xA1 ASN 193 HB3 -0.00 0.05 -0.07 -0.04 2.79 2.73 2b2xA1 ASN 193 HD21 -0.02 0.05 -0.06 -0.04 7.03 6.96 2b2xA1 ASN 193 HD22 -0.01 0.04 -0.06 -0.04 7.74 7.67 2b2xA1 VAL 194 H -0.00 0.22 0.12 -0.55 8.24 8.02 2b2xA1 VAL 194 HA 0.03 0.27 1.09 -0.75 4.13 4.77 2b2xA1 VAL 194 HB -0.06 0.01 0.01 -0.04 2.12 2.04 2b2xA1 VAL 194 HG13 -0.13 0.02 -0.23 -0.04 0.97 0.59 2b2xA1 VAL 194 HG23 -0.00 0.01 -0.32 -0.04 0.95 0.60 2b2xA1 THR 195 H -0.04 0.76 0.34 -0.55 8.28 8.78 2b2xA1 THR 195 HA -0.06 0.14 0.87 -0.75 4.39 4.59 2b2xA1 THR 195 HB -0.01 -0.00 -0.18 -0.04 4.32 4.08 2b2xA1 THR 195 HG23 -0.01 0.00 -0.03 -0.04 1.22 1.14 2b2xA1 HIS 196 H 0.05 0.17 0.11 -0.55 8.41 8.20 2b2xA1 HIS 196 HA -0.05 0.08 0.69 -0.75 4.63 4.60 2b2xA1 HIS 196 HB2 0.00 0.01 0.11 -0.04 3.26 3.34 2b2xA1 HIS 196 HB3 -0.02 0.01 -0.10 -0.04 3.20 3.04 2b2xA1 HIS 196 HD2 -0.00 0.00 -0.02 -0.04 6.97 6.91 2b2xA1 HIS 196 HE1 -0.05 -0.03 -0.18 -0.04 7.75 7.45 2b2xA1 GLU 197 H -0.06 0.57 0.45 -0.55 8.60 9.01 2b2xA1 GLU 197 HA 0.08 0.05 0.52 -0.75 4.29 4.18 2b2xA1 GLU 197 HB2 -0.31 0.08 0.20 -0.04 2.09 2.03 2b2xA1 GLU 197 HB3 0.06 0.01 0.02 -0.04 1.99 2.04 2b2xA1 GLU 197 HG2 0.00 -0.05 -0.02 -0.04 2.34 2.23 2b2xA1 GLU 197 HG3 0.05 -0.02 -0.05 -0.04 2.34 2.28 2b2xA1 PHE 198 H -0.23 0.31 0.17 -0.55 8.34 8.04 2b2xA1 PHE 198 HA 0.05 0.06 0.42 -0.75 4.62 4.41 2b2xA1 PHE 198 HB2 0.10 -0.03 0.12 -0.04 3.15 3.30 2b2xA1 PHE 198 HB3 0.18 0.19 0.04 -0.04 3.06 3.43 2b2xA1 PHE 198 HD2 0.15 0.18 -0.24 -0.04 7.28 7.32 2b2xA1 PHE 198 HE2 0.07 0.24 -0.08 -0.04 7.38 7.58 2b2xA1 PHE 198 HZ 0.03 0.01 -0.09 -0.04 7.32 7.23 2b2xA1 ASN 199 H 0.13 0.11 0.16 -0.55 8.53 8.39 2b2xA1 ASN 199 HA 0.04 0.10 0.60 -0.75 4.76 4.75 2b2xA1 ASN 199 HB2 0.01 -0.08 0.13 -0.04 2.88 2.91 2b2xA1 ASN 199 HB3 -0.00 0.54 0.33 -0.04 2.79 3.62 2b2xA1 ASN 199 HD21 -0.07 0.00 0.02 -0.04 7.03 6.94 2b2xA1 ASN 199 HD22 -0.03 0.01 0.06 -0.04 7.74 7.73 2b2xA1 LEU 200 H 0.05 0.26 0.16 -0.55 8.37 8.29 2b2xA1 LEU 200 HA 0.15 0.07 0.03 -0.75 4.35 3.84 2b2xA1 LEU 200 HB2 0.08 0.07 -0.14 -0.04 1.64 1.60 2b2xA1 LEU 200 HB3 0.10 0.07 -0.26 -0.04 1.64 1.51 2b2xA1 LEU 200 HG 0.05 -0.06 -0.14 -0.04 1.64 1.44 2b2xA1 LEU 200 HD13 0.25 0.03 -0.24 -0.04 0.93 0.92 2b2xA1 LEU 200 HD23 0.16 -0.02 -0.31 -0.04 0.89 0.67 2b2xA1 ASN 201 H 0.05 0.12 -0.41 -0.55 8.53 7.75 2b2xA1 ASN 201 HA 0.04 0.30 0.91 -0.75 4.76 5.26 2b2xA1 ASN 201 HB2 0.01 -0.03 0.09 -0.04 2.88 2.91 2b2xA1 ASN 201 HB3 0.03 0.10 -0.11 -0.04 2.79 2.78 2b2xA1 ASN 201 HD21 0.00 0.03 -0.14 -0.04 7.03 6.88 2b2xA1 ASN 201 HD22 0.01 0.03 -0.04 -0.04 7.74 7.70 2b2xA1 LYS 202 H 0.02 0.46 -0.10 -0.55 8.42 8.24 2b2xA1 LYS 202 HA -0.18 0.08 0.51 -0.75 4.32 3.97 2b2xA1 LYS 202 HB2 -0.13 -0.10 0.15 -0.04 1.87 1.75 2b2xA1 LYS 202 HB3 -0.16 0.12 0.14 -0.04 1.79 1.85 2b2xA1 LYS 202 HG2 -0.51 -0.00 0.03 -0.04 1.46 0.93 2b2xA1 LYS 202 HG3 -2.07 0.01 -0.29 -0.04 1.46 -0.94 2b2xA1 LYS 202 HD2 -0.49 -0.02 0.02 -0.04 1.69 1.15 2b2xA1 LYS 202 HD3 -0.36 0.04 0.17 -0.04 1.68 1.49 2b2xA1 LYS 202 HE2 -0.12 -0.01 0.05 -0.04 2.99 2.87 2b2xA1 LYS 202 HE3 -0.13 -0.02 0.07 -0.04 2.99 2.87 2b2xA1 TYR 203 H -0.04 0.24 -0.13 -0.55 8.29 7.81 2b2xA1 TYR 203 HA -0.07 0.13 0.88 -0.75 4.56 4.76 2b2xA1 TYR 203 HB2 -0.19 0.09 -0.02 -0.04 3.06 2.90 2b2xA1 TYR 203 HB3 -0.13 -0.15 -0.08 -0.04 2.98 2.58 2b2xA1 TYR 203 HD2 -0.44 -0.00 -0.04 -0.04 7.15 6.63 2b2xA1 TYR 203 HE2 -0.38 -0.00 -0.03 -0.04 6.85 6.39 2b2xA1 SER 204 H 0.06 0.10 0.11 -0.55 8.46 8.19 2b2xA1 SER 204 HA 0.04 0.23 0.73 -0.75 4.49 4.74 2b2xA1 SER 204 HB2 0.02 -0.03 0.16 -0.04 3.95 4.06 2b2xA1 SER 204 HB3 0.01 0.09 -0.02 -0.04 3.93 3.97 2b2xA1 SER 205 H 0.05 -0.00 -0.01 -0.55 8.46 7.96 2b2xA1 SER 205 HA 0.00 0.41 1.00 -0.75 4.49 5.15 2b2xA1 SER 205 HB2 0.01 0.13 0.04 -0.04 3.95 4.08 2b2xA1 SER 205 HB3 0.00 -0.11 0.14 -0.04 3.93 3.93 2b2xA1 THR 206 H -0.02 0.27 0.26 -0.55 8.28 8.24 2b2xA1 THR 206 HA -0.03 0.18 0.50 -0.75 4.39 4.28 2b2xA1 THR 206 HB -0.03 -0.06 0.23 -0.04 4.32 4.42 2b2xA1 THR 206 HG23 -0.04 0.06 0.03 -0.04 1.22 1.23 2b2xA1 GLU 207 H -0.04 0.05 -0.07 -0.55 8.60 7.99 2b2xA1 GLU 207 HA -0.07 0.19 0.60 -0.75 4.29 4.26 2b2xA1 GLU 207 HB2 -0.05 0.05 0.04 -0.04 2.09 2.09 2b2xA1 GLU 207 HB3 -0.04 0.07 0.09 -0.04 1.99 2.08 2b2xA1 GLU 207 HG2 -0.03 -0.13 0.10 -0.04 2.34 2.24 2b2xA1 GLU 207 HG3 -0.04 0.03 -0.09 -0.04 2.34 2.20 2b2xA1 GLU 208 H -0.07 0.03 -0.19 -0.55 8.60 7.83 2b2xA1 GLU 208 HA -0.16 0.08 0.36 -0.75 4.29 3.82 2b2xA1 GLU 208 HB2 -0.01 0.01 0.10 -0.04 2.09 2.15 2b2xA1 GLU 208 HB3 0.02 0.07 0.05 -0.04 1.99 2.09 2b2xA1 GLU 208 HG2 0.01 0.06 0.05 -0.04 2.34 2.41 2b2xA1 GLU 208 HG3 -0.01 -0.07 0.07 -0.04 2.34 2.29 2b2xA1 VAL 209 H -0.18 0.23 -0.63 -0.55 8.24 7.11 2b2xA1 VAL 209 HA -0.66 0.07 0.52 -0.75 4.13 3.31 2b2xA1 VAL 209 HB -0.11 0.15 0.07 -0.04 2.12 2.19 2b2xA1 VAL 209 HG13 -0.03 -0.00 -0.15 -0.04 0.97 0.75 2b2xA1 VAL 209 HG23 -0.08 0.04 -0.04 -0.04 0.95 0.83 2b2xA1 LEU 210 H -0.15 0.29 -0.20 -0.55 8.37 7.77 2b2xA1 LEU 210 HA -0.09 0.04 0.41 -0.75 4.35 3.95 2b2xA1 LEU 210 HB2 -0.09 0.07 0.19 -0.04 1.64 1.76 2b2xA1 LEU 210 HB3 -0.08 -0.05 0.02 -0.04 1.64 1.49 2b2xA1 LEU 210 HG -0.08 0.42 0.15 -0.04 1.64 2.10 2b2xA1 LEU 210 HD13 -0.06 -0.03 0.02 -0.04 0.93 0.82 2b2xA1 LEU 210 HD23 -0.08 -0.02 -0.18 -0.04 0.89 0.57 2b2xA1 VAL 211 H -0.17 0.45 -0.18 -0.55 8.24 7.79 2b2xA1 VAL 211 HA -0.08 0.06 0.39 -0.75 4.13 3.74 2b2xA1 VAL 211 HB -0.16 0.04 0.06 -0.04 2.12 2.02 2b2xA1 VAL 211 HG13 -0.06 0.00 -0.20 -0.04 0.97 0.67 2b2xA1 VAL 211 HG23 -0.07 0.01 -0.02 -0.04 0.95 0.83 2b2xA1 ALA 212 H -0.38 0.34 -0.24 -0.55 8.40 7.57 2b2xA1 ALA 212 HA -0.10 0.05 0.38 -0.75 4.34 3.91 2b2xA1 ALA 212 HB3 -0.63 0.02 0.07 -0.04 1.41 0.83 2b2xA1 ALA 213 H -0.13 0.56 -0.26 -0.55 8.40 8.03 2b2xA1 ALA 213 HA 0.19 -0.01 0.36 -0.75 4.34 4.12 2b2xA1 ALA 213 HB3 0.02 0.02 0.07 -0.04 1.41 1.48 2b2xA1 ASN 214 H -0.04 0.54 -0.12 -0.55 8.53 8.36 2b2xA1 ASN 214 HA -0.03 -0.03 0.35 -0.75 4.76 4.30 2b2xA1 ASN 214 HB2 -0.03 0.12 0.06 -0.04 2.88 2.99 2b2xA1 ASN 214 HB3 -0.02 -0.07 0.13 -0.04 2.79 2.78 2b2xA1 ASN 214 HD21 -0.06 -0.15 0.05 -0.04 7.03 6.83 2b2xA1 ASN 214 HD22 -0.06 0.90 0.26 -0.04 7.74 8.79 2b2xA1 LYS 215 H 0.04 0.30 -1.28 -0.55 8.42 6.93 2b2xA1 LYS 215 HA 0.06 0.06 0.72 -0.75 4.32 4.41 2b2xA1 LYS 215 HB2 0.02 0.17 0.05 -0.04 1.87 2.07 2b2xA1 LYS 215 HB3 0.07 0.08 0.05 -0.04 1.79 1.96 2b2xA1 LYS 215 HG2 0.06 -0.06 0.07 -0.04 1.46 1.48 2b2xA1 LYS 215 HG3 0.04 -0.03 0.06 -0.04 1.46 1.49 2b2xA1 LYS 215 HD2 0.03 -0.02 -0.02 -0.04 1.69 1.64 2b2xA1 LYS 215 HD3 0.03 -0.07 -0.01 -0.04 1.68 1.59 2b2xA1 LYS 215 HE2 0.01 -0.05 -0.05 -0.04 2.99 2.85 2b2xA1 LYS 215 HE3 -0.01 0.33 -0.09 -0.04 2.99 3.18 2b2xA1 ILE 216 H 0.13 0.62 0.05 -0.55 8.25 8.49 2b2xA1 ILE 216 HA 0.19 -0.00 0.50 -0.75 4.18 4.11 2b2xA1 ILE 216 HB 0.20 0.04 0.15 -0.04 1.89 2.24 2b2xA1 ILE 216 HG12 0.20 -0.03 0.03 -0.04 1.49 1.65 2b2xA1 ILE 216 HG13 0.20 0.19 0.19 -0.04 1.21 1.75 2b2xA1 ILE 216 HG23 0.44 -0.05 -0.23 -0.04 0.93 1.06 2b2xA1 ILE 216 HD13 0.13 -0.04 -0.02 -0.04 0.88 0.91 2b2xA1 VAL 217 H 0.15 0.14 0.19 -0.55 8.24 8.17 2b2xA1 VAL 217 HA 0.22 0.13 0.81 -0.75 4.13 4.54 2b2xA1 VAL 217 HB 0.01 -0.03 0.06 -0.04 2.12 2.13 2b2xA1 VAL 217 HG13 -0.08 0.04 -0.09 -0.04 0.97 0.79 2b2xA1 VAL 217 HG23 0.07 0.05 -0.04 -0.04 0.95 0.99 2b2xA1 GLN 218 H -0.68 0.10 0.13 -0.55 8.47 7.49 2b2xA1 GLN 218 HA -1.44 0.04 0.51 -0.75 4.36 2.72 2b2xA1 GLN 218 HB2 -2.22 -0.02 0.13 -0.04 2.15 -0.00 2b2xA1 GLN 218 HB3 -0.66 0.01 0.13 -0.04 2.02 1.46 2b2xA1 GLN 218 HG2 -0.48 -0.13 -0.07 -0.04 2.40 1.68 2b2xA1 GLN 218 HG3 -1.04 -0.01 0.13 -0.04 2.39 1.43 2b2xA1 GLN 218 HE21 0.05 0.37 -0.05 -0.04 6.97 7.29 2b2xA1 GLN 218 HE22 -0.16 0.06 -0.27 -0.04 7.69 7.28 2b2xA1 ARG 219 H -0.43 0.12 0.22 -0.55 8.46 7.82 2b2xA1 ARG 219 HA -0.17 0.19 0.76 -0.75 4.34 4.36 2b2xA1 ARG 219 HB2 -0.16 -0.03 0.05 -0.04 1.90 1.72 2b2xA1 ARG 219 HB3 -0.10 -0.05 0.06 -0.04 1.80 1.66 2b2xA1 ARG 219 HG2 -0.06 -0.04 -0.03 -0.04 1.67 1.50 2b2xA1 ARG 219 HG3 -0.09 0.04 -0.08 -0.04 1.67 1.50 2b2xA1 ARG 219 HD2 -0.09 0.31 -0.03 -0.04 3.22 3.37 2b2xA1 ARG 219 HD3 -0.09 -0.08 -0.01 -0.04 3.22 3.01 2b2xA1 GLY 220 H -0.32 0.07 -0.02 -0.55 8.43 7.62 2b2xA1 GLY 220 HA2 -0.15 0.10 0.26 -0.51 4.01 3.71 2b2xA1 GLY 220 HA3 -0.12 0.03 0.35 -0.51 4.01 3.76 2b2xA1 GLY 221 H -0.08 0.16 0.14 -0.55 8.43 8.10 2b2xA1 GLY 221 HA2 -0.07 0.05 0.47 -0.51 4.01 3.95 2b2xA1 GLY 221 HA3 -0.08 0.06 0.68 -0.51 4.01 4.16 2b2xA1 ARG 222 H -0.07 0.21 0.19 -0.55 8.46 8.23 2b2xA1 ARG 222 HA -0.07 0.13 0.62 -0.75 4.34 4.27 2b2xA1 ARG 222 HB2 -0.08 0.00 0.11 -0.04 1.90 1.89 2b2xA1 ARG 222 HB3 -0.08 0.06 0.18 -0.04 1.80 1.92 2b2xA1 ARG 222 HG2 -0.05 0.05 0.06 -0.04 1.67 1.69 2b2xA1 ARG 222 HG3 -0.05 -0.09 0.05 -0.04 1.67 1.53 2b2xA1 ARG 222 HD2 -0.04 0.03 0.04 -0.04 3.22 3.21 2b2xA1 ARG 222 HD3 -0.04 0.05 0.03 -0.04 3.22 3.21 2b2xA1 GLN 223 H -0.10 0.04 -0.43 -0.55 8.47 7.44 2b2xA1 GLN 223 HA -0.50 0.22 0.60 -0.75 4.36 3.93 2b2xA1 GLN 223 HB2 -0.14 -0.02 -0.06 -0.04 2.15 1.88 2b2xA1 GLN 223 HB3 -0.23 -0.11 -0.07 -0.04 2.02 1.58 2b2xA1 GLN 223 HG2 -0.27 0.01 -0.03 -0.04 2.40 2.06 2b2xA1 GLN 223 HG3 -0.86 0.11 0.07 -0.04 2.39 1.67 2b2xA1 GLN 223 HE21 -0.10 -0.01 -0.06 -0.04 6.97 6.75 2b2xA1 GLN 223 HE22 -0.19 0.05 -0.02 -0.04 7.69 7.48 2b2xA1 THR 224 H 0.59 0.18 0.02 -0.55 8.28 8.53 2b2xA1 THR 224 HA 0.13 0.21 0.79 -0.75 4.39 4.76 2b2xA1 THR 224 HB 0.21 0.06 0.17 -0.04 4.32 4.72 2b2xA1 THR 224 HG23 0.19 -0.01 -0.06 -0.04 1.22 1.29 2b2xA1 MET 225 H 0.22 0.74 -0.09 -0.55 8.47 8.79 2b2xA1 MET 225 HA 0.08 -0.10 0.63 -0.75 4.52 4.37 2b2xA1 MET 225 HB2 0.11 0.12 0.05 -0.04 2.15 2.38 2b2xA1 MET 225 HB3 0.02 -0.09 0.08 -0.04 2.03 2.00 2b2xA1 MET 225 HG2 0.05 0.05 -0.04 -0.04 2.63 2.64 2b2xA1 MET 225 HG3 0.03 0.26 0.04 -0.04 2.56 2.84 2b2xA1 MET 225 HE3 0.01 0.02 -0.02 -0.04 2.10 2.07 2b2xA1 THR 226 H 0.12 0.37 -0.10 -0.55 8.28 8.13 2b2xA1 THR 226 HA -0.75 0.12 0.20 -0.75 4.39 3.21 2b2xA1 THR 226 HB 0.00 -0.07 0.02 -0.04 4.32 4.24 2b2xA1 THR 226 HG23 -0.04 0.04 -0.15 -0.04 1.22 1.03 2b2xA1 ALA 227 H -0.09 0.01 -0.21 -0.55 8.40 7.57 2b2xA1 ALA 227 HA -0.09 0.15 0.36 -0.75 4.34 4.01 2b2xA1 ALA 227 HB3 -0.08 0.01 -0.09 -0.04 1.41 1.20 2b2xA1 LEU 228 H -0.09 0.02 -0.32 -0.55 8.37 7.43 2b2xA1 LEU 228 HA -0.05 0.08 0.29 -0.75 4.35 3.92 2b2xA1 LEU 228 HB2 -0.03 -0.04 0.03 -0.04 1.64 1.56 2b2xA1 LEU 228 HB3 -0.04 0.11 0.01 -0.04 1.64 1.68 2b2xA1 LEU 228 HG -0.03 0.00 -0.29 -0.04 1.64 1.29 2b2xA1 LEU 228 HD13 -0.01 0.01 -0.01 -0.04 0.93 0.88 2b2xA1 LEU 228 HD23 0.01 -0.01 -0.06 -0.04 0.89 0.79 2b2xA1 GLY 229 H -0.31 0.31 -0.40 -0.55 8.43 7.49 2b2xA1 GLY 229 HA2 -0.16 0.04 0.30 -0.51 4.01 3.68 2b2xA1 GLY 229 HA3 -0.60 0.03 0.14 -0.51 4.01 3.07 2b2xA1 ILE 230 H -0.22 0.56 -0.09 -0.55 8.25 7.95 2b2xA1 ILE 230 HA -0.08 0.07 0.38 -0.75 4.18 3.79 2b2xA1 ILE 230 HB -0.08 0.00 0.12 -0.04 1.89 1.89 2b2xA1 ILE 230 HG12 -0.05 0.01 -0.06 -0.04 1.49 1.35 2b2xA1 ILE 230 HG13 -0.16 0.05 0.01 -0.04 1.21 1.07 2b2xA1 ILE 230 HG23 -0.01 0.02 -0.22 -0.04 0.93 0.69 2b2xA1 ILE 230 HD13 -0.03 -0.00 -0.10 -0.04 0.88 0.71 2b2xA1 ASP 231 H -0.07 0.61 -0.05 -0.55 8.40 8.35 2b2xA1 ASP 231 HA -0.00 0.09 0.33 -0.75 4.63 4.30 2b2xA1 ASP 231 HB2 -0.02 0.03 0.07 -0.04 2.71 2.75 2b2xA1 ASP 231 HB3 -0.02 0.01 -0.02 -0.04 2.70 2.63 2b2xA1 THR 232 H -0.06 0.34 -0.58 -0.55 8.28 7.43 2b2xA1 THR 232 HA -0.00 0.05 0.35 -0.75 4.39 4.03 2b2xA1 THR 232 HB -0.09 0.11 0.04 -0.04 4.32 4.34 2b2xA1 THR 232 HG23 -0.10 -0.03 -0.19 -0.04 1.22 0.86 2b2xA1 ALA 233 H -0.06 0.43 -0.26 -0.55 8.40 7.96 2b2xA1 ALA 233 HA -0.07 -0.06 0.48 -0.75 4.34 3.94 2b2xA1 ALA 233 HB3 -0.12 0.04 0.04 -0.04 1.41 1.33 2b2xA1 ARG 234 H 0.02 0.58 -0.14 -0.55 8.46 8.37 2b2xA1 ARG 234 HA 0.26 0.05 0.31 -0.75 4.34 4.20 2b2xA1 ARG 234 HB2 0.10 -0.01 0.00 -0.04 1.90 1.95 2b2xA1 ARG 234 HB3 0.05 0.02 0.11 -0.04 1.80 1.94 2b2xA1 ARG 234 HG2 0.07 0.01 -0.47 -0.04 1.67 1.24 2b2xA1 ARG 234 HG3 0.10 0.04 -0.10 -0.04 1.67 1.67 2b2xA1 ARG 234 HD2 0.04 0.11 -0.50 -0.04 3.22 2.83 2b2xA1 ARG 234 HD3 0.03 -0.04 -0.15 -0.04 3.22 3.03 2b2xA1 LYS 235 H 0.05 0.48 -0.13 -0.55 8.42 8.26 2b2xA1 LYS 235 HA 0.07 0.29 0.84 -0.75 4.32 4.78 2b2xA1 LYS 235 HB2 0.04 -0.04 0.12 -0.04 1.87 1.95 2b2xA1 LYS 235 HB3 0.04 -0.01 -0.03 -0.04 1.79 1.75 2b2xA1 LYS 235 HG2 0.03 0.28 0.01 -0.04 1.46 1.74 2b2xA1 LYS 235 HG3 0.04 -0.04 -0.17 -0.04 1.46 1.25 2b2xA1 LYS 235 HD2 0.03 -0.01 -0.03 -0.04 1.69 1.63 2b2xA1 LYS 235 HD3 0.02 -0.01 -0.05 -0.04 1.68 1.60 2b2xA1 LYS 235 HE2 0.02 -0.01 -0.08 -0.04 2.99 2.89 2b2xA1 LYS 235 HE3 0.02 -0.04 -0.06 -0.04 2.99 2.87 2b2xA1 GLU 236 H 0.07 0.13 -0.55 -0.55 8.60 7.70 2b2xA1 GLU 236 HA 0.06 0.15 0.85 -0.75 4.29 4.59 2b2xA1 GLU 236 HB2 0.10 0.05 -0.01 -0.04 2.09 2.19 2b2xA1 GLU 236 HB3 0.30 -0.04 -0.02 -0.04 1.99 2.19 2b2xA1 GLU 236 HG2 0.11 -0.05 -0.02 -0.04 2.34 2.34 2b2xA1 GLU 236 HG3 0.08 0.05 -0.02 -0.04 2.34 2.41 2b2xA1 ALA 237 H 0.08 0.29 0.16 -0.55 8.40 8.38 2b2xA1 ALA 237 HA -0.01 -0.01 0.45 -0.75 4.34 4.01 2b2xA1 ALA 237 HB3 -0.14 0.03 0.09 -0.04 1.41 1.35 2b2xA1 PHE 238 H 0.00 0.57 -0.05 -0.55 8.34 8.31 2b2xA1 PHE 238 HA 0.03 0.02 0.42 -0.75 4.62 4.33 2b2xA1 PHE 238 HB2 0.03 0.21 0.17 -0.04 3.15 3.52 2b2xA1 PHE 238 HB3 0.03 0.01 0.16 -0.04 3.06 3.21 2b2xA1 PHE 238 HD2 0.03 -0.01 -0.11 -0.04 7.28 7.15 2b2xA1 PHE 238 HE2 0.04 0.01 -0.26 -0.04 7.38 7.14 2b2xA1 PHE 238 HZ 0.05 0.27 -0.12 -0.04 7.32 7.48 2b2xA1 THR 239 H 0.10 0.60 -0.28 -0.55 8.28 8.15 2b2xA1 THR 239 HA 0.08 0.22 0.76 -0.75 4.39 4.69 2b2xA1 THR 239 HB 0.04 -0.10 -0.00 -0.04 4.32 4.21 2b2xA1 THR 239 HG23 0.06 0.02 -0.55 -0.04 1.22 0.71 2b2xA1 GLU 240 H 0.04 0.23 0.08 -0.55 8.60 8.40 2b2xA1 GLU 240 HA 0.04 0.34 0.37 -0.75 4.29 4.28 2b2xA1 GLU 240 HB2 0.02 0.04 0.12 -0.04 2.09 2.23 2b2xA1 GLU 240 HB3 0.02 -0.06 0.10 -0.04 1.99 2.00 2b2xA1 GLU 240 HG2 0.01 -0.00 -0.19 -0.04 2.34 2.12 2b2xA1 GLU 240 HG3 0.02 0.08 0.05 -0.04 2.34 2.45 2b2xA1 ALA 241 H 0.02 0.06 -0.30 -0.55 8.40 7.63 2b2xA1 ALA 241 HA 0.00 0.05 0.34 -0.75 4.34 3.98 2b2xA1 ALA 241 HB3 -0.00 0.01 0.03 -0.04 1.41 1.41 2b2xA1 ARG 242 H 0.00 0.43 -0.22 -0.55 8.46 8.12 2b2xA1 ARG 242 HA -0.04 0.13 0.80 -0.75 4.34 4.48 2b2xA1 ARG 242 HB2 -0.03 0.25 0.24 -0.04 1.90 2.32 2b2xA1 ARG 242 HB3 -0.07 -0.22 0.27 -0.04 1.80 1.74 2b2xA1 ARG 242 HG2 -0.15 -0.05 0.00 -0.04 1.67 1.43 2b2xA1 ARG 242 HG3 -0.10 -0.02 -0.04 -0.04 1.67 1.47 2b2xA1 ARG 242 HD2 -0.20 0.50 -0.20 -0.04 3.22 3.28 2b2xA1 ARG 242 HD3 -0.38 -0.14 -0.00 -0.04 3.22 2.65 2b2xA1 GLY 243 H 0.02 0.57 -0.24 -0.55 8.43 8.22 2b2xA1 GLY 243 HA2 0.03 0.06 0.20 -0.51 4.01 3.78 2b2xA1 GLY 243 HA3 0.04 -0.01 0.79 -0.51 4.01 4.32 2b2xA1 ALA 244 H 0.07 0.27 -0.20 -0.55 8.40 7.99 2b2xA1 ALA 244 HA 0.13 0.04 0.28 -0.75 4.34 4.04 2b2xA1 ALA 244 HB3 0.13 -0.02 -0.35 -0.04 1.41 1.13 2b2xA1 ARG 245 H 0.06 0.13 0.10 -0.55 8.46 8.19 2b2xA1 ARG 245 HA 0.03 0.09 0.76 -0.75 4.34 4.47 2b2xA1 ARG 245 HB2 0.03 -0.05 0.10 -0.04 1.90 1.94 2b2xA1 ARG 245 HB3 0.02 0.06 0.01 -0.04 1.80 1.85 2b2xA1 ARG 245 HG2 0.03 -0.01 -0.03 -0.04 1.67 1.62 2b2xA1 ARG 245 HG3 0.05 0.10 -0.02 -0.04 1.67 1.76 2b2xA1 ARG 245 HD2 0.03 0.05 0.04 -0.04 3.22 3.30 2b2xA1 ARG 245 HD3 0.04 0.02 0.03 -0.04 3.22 3.26 2b2xA1 ARG 246 H 0.02 0.12 0.13 -0.55 8.46 8.18 2b2xA1 ARG 246 HA 0.01 0.02 0.36 -0.75 4.34 3.97 2b2xA1 ARG 246 HB2 0.01 -0.01 0.13 -0.04 1.90 2.00 2b2xA1 ARG 246 HB3 0.01 -0.00 0.13 -0.04 1.80 1.90 2b2xA1 ARG 246 HG2 0.01 0.06 -0.17 -0.04 1.67 1.53 2b2xA1 ARG 246 HG3 0.01 -0.01 0.04 -0.04 1.67 1.67 2b2xA1 ARG 246 HD2 0.01 -0.00 -0.01 -0.04 3.22 3.17 2b2xA1 ARG 246 HD3 0.01 0.00 -0.02 -0.04 3.22 3.17 2b2xA1 GLY 247 H -0.00 0.14 0.15 -0.55 8.43 8.17 2b2xA1 GLY 247 HA2 -0.00 -0.02 0.40 -0.51 4.01 3.87 2b2xA1 GLY 247 HA3 0.00 0.09 0.58 -0.51 4.01 4.18 2b2xA1 VAL 248 H 0.00 0.30 -0.55 -0.55 8.24 7.45 2b2xA1 VAL 248 HA 0.01 0.08 0.41 -0.75 4.13 3.88 2b2xA1 VAL 248 HB 0.01 -0.02 0.01 -0.04 2.12 2.08 2b2xA1 VAL 248 HG13 0.02 0.06 -0.15 -0.04 0.97 0.86 2b2xA1 VAL 248 HG23 0.02 0.02 -0.11 -0.04 0.95 0.84 2b2xA1 LYS 249 H 0.01 0.29 0.28 -0.55 8.42 8.44 2b2xA1 LYS 249 HA -0.04 0.10 0.64 -0.75 4.32 4.27 2b2xA1 LYS 249 HB2 0.03 -0.00 0.20 -0.04 1.87 2.06 2b2xA1 LYS 249 HB3 0.03 0.05 0.28 -0.04 1.79 2.11 2b2xA1 LYS 249 HG2 0.05 -0.01 0.01 -0.04 1.46 1.46 2b2xA1 LYS 249 HG3 0.01 0.00 -0.30 -0.04 1.46 1.13 2b2xA1 LYS 249 HD2 -0.04 -0.01 0.23 -0.04 1.69 1.83 2b2xA1 LYS 249 HD3 0.01 -0.05 0.09 -0.04 1.68 1.69 2b2xA1 LYS 249 HE2 0.04 -0.05 0.01 -0.04 2.99 2.95 2b2xA1 LYS 249 HE3 0.01 0.01 0.07 -0.04 2.99 3.04 2b2xA1 LYS 250 H -0.15 0.27 0.33 -0.55 8.42 8.31 2b2xA1 LYS 250 HA -0.37 0.13 0.73 -0.75 4.32 4.05 2b2xA1 LYS 250 HB2 -0.40 0.14 0.26 -0.04 1.87 1.83 2b2xA1 LYS 250 HB3 -1.46 -0.08 0.02 -0.04 1.79 0.23 2b2xA1 LYS 250 HG2 -0.76 -0.11 -0.01 -0.04 1.46 0.54 2b2xA1 LYS 250 HG3 -0.30 0.10 0.10 -0.04 1.46 1.31 2b2xA1 LYS 250 HD2 -0.25 0.27 0.05 -0.04 1.69 1.72 2b2xA1 LYS 250 HD3 -0.50 -0.07 0.02 -0.04 1.68 1.09 2b2xA1 LYS 250 HE2 -0.11 -0.08 -0.03 -0.04 2.99 2.73 2b2xA1 LYS 250 HE3 -0.12 0.01 0.02 -0.04 2.99 2.85 2b2xA1 VAL 251 H 0.14 0.56 0.38 -0.55 8.24 8.77 2b2xA1 VAL 251 HA 0.17 0.24 1.09 -0.75 4.13 4.87 2b2xA1 VAL 251 HB 0.13 -0.03 0.06 -0.04 2.12 2.25 2b2xA1 VAL 251 HG13 0.24 -0.01 -0.15 -0.04 0.97 1.01 2b2xA1 VAL 251 HG23 0.09 0.03 -0.26 -0.04 0.95 0.77 2b2xA1 MET 252 H 0.26 0.80 0.32 -0.55 8.47 9.30 2b2xA1 MET 252 HA 0.21 0.30 1.12 -0.75 4.52 5.40 2b2xA1 MET 252 HB2 0.33 -0.01 -0.08 -0.04 2.15 2.36 2b2xA1 MET 252 HB3 0.17 0.01 0.08 -0.04 2.03 2.24 2b2xA1 MET 252 HG2 0.10 -0.05 -0.23 -0.04 2.63 2.40 2b2xA1 MET 252 HG3 0.05 0.01 -0.02 -0.04 2.56 2.56 2b2xA1 MET 252 HE3 0.12 0.02 -0.10 -0.04 2.10 2.10 2b2xA1 VAL 253 H 0.11 0.57 0.36 -0.55 8.24 8.73 2b2xA1 VAL 253 HA 0.22 0.34 1.10 -0.75 4.13 5.04 2b2xA1 VAL 253 HB 0.09 -0.13 0.15 -0.04 2.12 2.18 2b2xA1 VAL 253 HG13 0.13 -0.01 -0.19 -0.04 0.97 0.86 2b2xA1 VAL 253 HG23 0.03 0.03 -0.21 -0.04 0.95 0.76 2b2xA1 ILE 254 H 0.16 0.71 0.33 -0.55 8.25 8.90 2b2xA1 ILE 254 HA 0.12 0.25 1.06 -0.75 4.18 4.86 2b2xA1 ILE 254 HB 0.11 0.01 0.12 -0.04 1.89 2.09 2b2xA1 ILE 254 HG12 0.03 -0.06 -0.08 -0.04 1.49 1.33 2b2xA1 ILE 254 HG13 0.06 -0.00 -0.15 -0.04 1.21 1.07 2b2xA1 ILE 254 HG23 0.11 -0.03 -0.15 -0.04 0.93 0.81 2b2xA1 ILE 254 HD13 0.09 0.02 -0.22 -0.04 0.88 0.72 2b2xA1 VAL 255 H 0.16 0.53 0.32 -0.55 8.24 8.70 2b2xA1 VAL 255 HA 0.05 0.27 1.12 -0.75 4.13 4.81 2b2xA1 VAL 255 HB 0.04 -0.10 0.19 -0.04 2.12 2.21 2b2xA1 VAL 255 HG13 -0.16 -0.02 -0.13 -0.04 0.97 0.62 2b2xA1 VAL 255 HG23 0.00 0.03 -0.25 -0.04 0.95 0.70 2b2xA1 THR 256 H 0.12 0.69 0.36 -0.55 8.28 8.89 2b2xA1 THR 256 HA 0.15 0.13 0.95 -0.75 4.39 4.87 2b2xA1 THR 256 HB 0.27 0.04 -0.20 -0.04 4.32 4.39 2b2xA1 THR 256 HG23 0.25 0.01 -0.13 -0.04 1.22 1.31 2b2xA1 ASP 257 H 0.18 0.13 0.12 -0.55 8.40 8.28 2b2xA1 ASP 257 HA 0.35 0.27 1.00 -0.75 4.63 5.49 2b2xA1 ASP 257 HB2 0.22 0.02 0.15 -0.04 2.71 3.06 2b2xA1 ASP 257 HB3 0.16 -0.03 -0.09 -0.04 2.70 2.70 2b2xA1 GLY 258 H 0.31 0.17 -0.02 -0.55 8.43 8.34 2b2xA1 GLY 258 HA2 -0.41 0.10 0.40 -0.51 4.01 3.59 2b2xA1 GLY 258 HA3 -0.03 0.08 0.32 -0.51 4.01 3.87 2b2xA1 GLU 259 H 0.01 0.16 0.10 -0.55 8.60 8.32 2b2xA1 GLU 259 HA 0.23 0.03 0.43 -0.75 4.29 4.23 2b2xA1 GLU 259 HB2 0.01 0.02 0.05 -0.04 2.09 2.13 2b2xA1 GLU 259 HB3 0.06 0.06 0.02 -0.04 1.99 2.09 2b2xA1 GLU 259 HG2 0.25 0.03 -0.02 -0.04 2.34 2.56 2b2xA1 GLU 259 HG3 0.22 -0.05 0.06 -0.04 2.34 2.53 2b2xA1 SER 260 H 0.06 0.09 0.19 -0.55 8.46 8.25 2b2xA1 SER 260 HA 0.06 0.28 0.74 -0.75 4.49 4.81 2b2xA1 SER 260 HB2 0.02 -0.23 0.21 -0.04 3.95 3.91 2b2xA1 SER 260 HB3 0.07 0.05 0.17 -0.04 3.93 4.18 2b2xA1 HIS 261 H 0.18 0.29 0.21 -0.55 8.41 8.53 2b2xA1 HIS 261 HA -0.01 0.19 0.53 -0.75 4.63 4.60 2b2xA1 HIS 261 HB2 -0.01 -0.07 0.02 -0.04 3.26 3.16 2b2xA1 HIS 261 HB3 0.01 0.09 0.08 -0.04 3.20 3.33 2b2xA1 HIS 261 HD2 0.01 0.05 0.05 -0.04 6.97 7.04 2b2xA1 HIS 261 HE1 -0.03 0.05 -0.00 -0.04 7.75 7.72 2b2xA1 ASP 262 H -0.05 -0.00 -0.16 -0.55 8.40 7.64 2b2xA1 ASP 262 HA -0.85 0.33 0.85 -0.75 4.63 4.20 2b2xA1 ASP 262 HB2 -0.35 0.07 0.14 -0.04 2.71 2.53 2b2xA1 ASP 262 HB3 -0.15 0.12 -0.01 -0.04 2.70 2.62 2b2xA1 ASN 263 H -0.19 0.45 -0.48 -0.55 8.53 7.76 2b2xA1 ASN 263 HA -0.10 0.00 0.39 -0.75 4.76 4.30 2b2xA1 ASN 263 HB2 -0.02 0.03 0.14 -0.04 2.88 2.98 2b2xA1 ASN 263 HB3 -0.04 0.07 0.10 -0.04 2.79 2.88 2b2xA1 ASN 263 HD21 0.03 0.04 -0.08 -0.04 7.03 6.99 2b2xA1 ASN 263 HD22 0.01 -0.01 -0.03 -0.04 7.74 7.67 2b2xA1 TYR 264 H -0.62 0.10 -0.65 -0.55 8.29 6.57 2b2xA1 TYR 264 HA 0.01 0.18 0.58 -0.75 4.56 4.58 2b2xA1 TYR 264 HB2 0.01 0.06 0.10 -0.04 3.06 3.19 2b2xA1 TYR 264 HB3 0.01 0.04 0.04 -0.04 2.98 3.03 2b2xA1 TYR 264 HD2 0.02 0.03 -0.17 -0.04 7.15 6.98 2b2xA1 TYR 264 HE2 0.02 0.05 0.00 -0.04 6.85 6.88 2b2xA1 ARG 265 H -0.10 0.31 -0.26 -0.55 8.46 7.85 2b2xA1 ARG 265 HA 0.09 0.22 0.83 -0.75 4.34 4.73 2b2xA1 ARG 265 HB2 0.06 0.01 0.13 -0.04 1.90 2.06 2b2xA1 ARG 265 HB3 0.19 0.08 -0.07 -0.04 1.80 1.96 2b2xA1 ARG 265 HG2 -0.12 -0.01 -0.01 -0.04 1.67 1.50 2b2xA1 ARG 265 HG3 -0.05 -0.04 -0.15 -0.04 1.67 1.39 2b2xA1 ARG 265 HD2 0.12 0.05 -0.05 -0.04 3.22 3.29 2b2xA1 ARG 265 HD3 -0.00 -0.07 -0.07 -0.04 3.22 3.03 2b2xA1 LEU 266 H -0.02 0.27 -0.23 -0.55 8.37 7.84 2b2xA1 LEU 266 HA -0.03 0.07 0.44 -0.75 4.35 4.07 2b2xA1 LEU 266 HB2 -0.05 -0.14 0.12 -0.04 1.64 1.53 2b2xA1 LEU 266 HB3 -0.02 0.14 0.08 -0.04 1.64 1.80 2b2xA1 LEU 266 HG -0.03 0.13 -0.15 -0.04 1.64 1.55 2b2xA1 LEU 266 HD13 -0.04 -0.03 -0.06 -0.04 0.93 0.76 2b2xA1 LEU 266 HD23 -0.02 0.00 -0.05 -0.04 0.89 0.78 2b2xA1 LYS 267 H 0.01 0.14 -0.15 -0.55 8.42 7.86 2b2xA1 LYS 267 HA -0.01 0.17 0.39 -0.75 4.32 4.11 2b2xA1 LYS 267 HB2 0.00 0.03 0.07 -0.04 1.87 1.94 2b2xA1 LYS 267 HB3 0.01 -0.05 0.04 -0.04 1.79 1.76 2b2xA1 LYS 267 HG2 -0.00 0.01 -0.18 -0.04 1.46 1.25 2b2xA1 LYS 267 HG3 -0.01 0.05 0.02 -0.04 1.46 1.48 2b2xA1 LYS 267 HD2 0.00 -0.00 -0.00 -0.04 1.69 1.65 2b2xA1 LYS 267 HD3 0.01 -0.00 -0.03 -0.04 1.68 1.61 2b2xA1 LYS 267 HE2 -0.00 0.01 -0.03 -0.04 2.99 2.92 2b2xA1 LYS 267 HE3 -0.01 0.02 -0.01 -0.04 2.99 2.95 2b2xA1 GLN 268 H 0.01 0.06 -0.27 -0.55 8.47 7.73 2b2xA1 GLN 268 HA 0.01 0.08 0.34 -0.75 4.36 4.03 2b2xA1 GLN 268 HB2 0.02 0.09 0.03 -0.04 2.15 2.25 2b2xA1 GLN 268 HB3 0.02 0.05 0.01 -0.04 2.02 2.05 2b2xA1 GLN 268 HG2 0.02 0.05 0.02 -0.04 2.40 2.45 2b2xA1 GLN 268 HG3 0.02 -0.12 0.04 -0.04 2.39 2.29 2b2xA1 GLN 268 HE21 0.07 0.02 0.08 -0.04 6.97 7.11 2b2xA1 GLN 268 HE22 0.04 -0.01 0.06 -0.04 7.69 7.75 2b2xA1 VAL 269 H -0.00 0.37 -0.27 -0.55 8.24 7.79 2b2xA1 VAL 269 HA 0.00 0.05 0.36 -0.75 4.13 3.79 2b2xA1 VAL 269 HB -0.02 0.01 0.14 -0.04 2.12 2.21 2b2xA1 VAL 269 HG13 -0.02 0.00 -0.13 -0.04 0.97 0.78 2b2xA1 VAL 269 HG23 -0.01 0.05 0.01 -0.04 0.95 0.96 2b2xA1 ILE 270 H -0.01 0.53 -0.19 -0.55 8.25 8.03 2b2xA1 ILE 270 HA -0.01 0.07 0.48 -0.75 4.18 3.96 2b2xA1 ILE 270 HB -0.02 0.01 0.18 -0.04 1.89 2.02 2b2xA1 ILE 270 HG12 -0.02 0.28 0.10 -0.04 1.49 1.81 2b2xA1 ILE 270 HG13 -0.03 0.07 -0.05 -0.04 1.21 1.15 2b2xA1 ILE 270 HG23 -0.04 0.06 -0.03 -0.04 0.93 0.89 2b2xA1 ILE 270 HD13 -0.02 -0.01 -0.03 -0.04 0.88 0.77 2b2xA1 GLN 271 H -0.01 0.59 -0.02 -0.55 8.47 8.48 2b2xA1 GLN 271 HA -0.02 0.03 0.42 -0.75 4.36 4.03 2b2xA1 GLN 271 HB2 -0.01 0.03 0.12 -0.04 2.15 2.26 2b2xA1 GLN 271 HB3 -0.00 0.09 0.13 -0.04 2.02 2.19 2b2xA1 GLN 271 HG2 -0.00 -0.04 -0.01 -0.04 2.40 2.31 2b2xA1 GLN 271 HG3 -0.00 -0.00 -0.11 -0.04 2.39 2.24 2b2xA1 GLN 271 HE21 -0.02 0.02 0.04 -0.04 6.97 6.98 2b2xA1 GLN 271 HE22 -0.01 -0.05 0.09 -0.04 7.69 7.68 2b2xA1 ASP 272 H -0.00 0.44 -0.32 -0.55 8.40 7.98 2b2xA1 ASP 272 HA 0.00 0.01 0.42 -0.75 4.63 4.31 2b2xA1 ASP 272 HB2 0.01 0.10 0.08 -0.04 2.71 2.86 2b2xA1 ASP 272 HB3 0.01 -0.01 -0.02 -0.04 2.70 2.65 2b2xA1 CYS 273 H 0.00 0.39 -0.44 -0.55 8.50 7.90 2b2xA1 CYS 273 HA 0.03 0.07 0.52 -0.75 4.58 4.44 2b2xA1 CYS 273 HB2 -0.00 0.22 0.22 -0.04 2.97 3.37 2b2xA1 CYS 273 HB3 0.01 0.03 0.00 -0.04 2.97 2.98 2b2xA1 GLU 274 H -0.02 0.40 -0.03 -0.55 8.60 8.41 2b2xA1 GLU 274 HA -0.03 0.06 0.51 -0.75 4.29 4.07 2b2xA1 GLU 274 HB2 -0.02 0.12 0.23 -0.04 2.09 2.38 2b2xA1 GLU 274 HB3 -0.03 -0.04 0.03 -0.04 1.99 1.91 2b2xA1 GLU 274 HG2 -0.04 0.10 0.05 -0.04 2.34 2.40 2b2xA1 GLU 274 HG3 -0.04 -0.06 0.03 -0.04 2.34 2.24 2b2xA1 ASP 275 H -0.01 0.52 -0.07 -0.55 8.40 8.29 2b2xA1 ASP 275 HA -0.01 0.01 0.38 -0.75 4.63 4.25 2b2xA1 ASP 275 HB2 -0.00 0.06 0.10 -0.04 2.71 2.82 2b2xA1 ASP 275 HB3 -0.00 -0.04 0.04 -0.04 2.70 2.66 2b2xA1 GLU 276 H -0.01 0.23 -0.85 -0.55 8.60 7.42 2b2xA1 GLU 276 HA -0.01 0.10 0.80 -0.75 4.29 4.43 2b2xA1 GLU 276 HB2 0.01 0.07 0.06 -0.04 2.09 2.19 2b2xA1 GLU 276 HB3 -0.02 -0.03 0.13 -0.04 1.99 2.04 2b2xA1 GLU 276 HG2 0.01 -0.03 -0.05 -0.04 2.34 2.23 2b2xA1 GLU 276 HG3 0.01 0.09 -0.08 -0.04 2.34 2.32 2b2xA1 ASN 277 H -0.02 0.52 -0.36 -0.55 8.53 8.12 2b2xA1 ASN 277 HA -0.03 0.00 0.42 -0.75 4.76 4.40 2b2xA1 ASN 277 HB2 -0.04 0.07 -0.04 -0.04 2.88 2.84 2b2xA1 ASN 277 HB3 -0.03 -0.06 0.16 -0.04 2.79 2.82 2b2xA1 ASN 277 HD21 -0.01 -0.06 -0.04 -0.04 7.03 6.88 2b2xA1 ASN 277 HD22 -0.02 0.00 -0.14 -0.04 7.74 7.55 2b2xA1 ILE 278 H -0.04 0.31 0.04 -0.55 8.25 8.01 2b2xA1 ILE 278 HA -0.09 0.30 1.01 -0.75 4.18 4.64 2b2xA1 ILE 278 HB 0.02 -0.09 0.03 -0.04 1.89 1.81 2b2xA1 ILE 278 HG12 -0.26 0.03 -0.11 -0.04 1.49 1.11 2b2xA1 ILE 278 HG13 -0.06 0.07 -0.42 -0.04 1.21 0.76 2b2xA1 ILE 278 HG23 0.11 -0.02 -0.34 -0.04 0.93 0.64 2b2xA1 ILE 278 HD13 0.16 -0.04 -0.05 -0.04 0.88 0.92 2b2xA1 GLN 279 H 0.00 0.56 0.31 -0.55 8.47 8.80 2b2xA1 GLN 279 HA -0.12 0.00 0.59 -0.75 4.36 4.07 2b2xA1 GLN 279 HB2 0.14 0.04 0.21 -0.04 2.15 2.50 2b2xA1 GLN 279 HB3 0.03 0.03 0.02 -0.04 2.02 2.06 2b2xA1 GLN 279 HG2 0.02 0.02 0.04 -0.04 2.40 2.44 2b2xA1 GLN 279 HG3 0.08 0.04 0.03 -0.04 2.39 2.50 2b2xA1 GLN 279 HE21 -0.11 0.00 0.00 -0.04 6.97 6.82 2b2xA1 GLN 279 HE22 0.11 0.07 0.01 -0.04 7.69 7.84 2b2xA1 ARG 280 H -0.30 0.11 0.27 -0.55 8.46 7.98 2b2xA1 ARG 280 HA 0.10 0.30 1.18 -0.75 4.34 5.17 2b2xA1 ARG 280 HB2 -0.12 -0.01 0.19 -0.04 1.90 1.92 2b2xA1 ARG 280 HB3 0.01 -0.05 -0.05 -0.04 1.80 1.67 2b2xA1 ARG 280 HG2 0.04 -0.06 -0.19 -0.04 1.67 1.41 2b2xA1 ARG 280 HG3 -0.04 0.21 -0.15 -0.04 1.67 1.64 2b2xA1 ARG 280 HD2 -0.00 -0.09 -0.01 -0.04 3.22 3.08 2b2xA1 ARG 280 HD3 -0.00 -0.10 -0.02 -0.04 3.22 3.06 2b2xA1 PHE 281 H 0.35 0.68 0.39 -0.55 8.34 9.21 2b2xA1 PHE 281 HA 0.25 0.27 1.02 -0.75 4.62 5.40 2b2xA1 PHE 281 HB2 0.13 -0.11 0.17 -0.04 3.15 3.30 2b2xA1 PHE 281 HB3 0.20 0.03 0.03 -0.04 3.06 3.29 2b2xA1 PHE 281 HD2 0.18 0.02 -0.09 -0.04 7.28 7.35 2b2xA1 PHE 281 HE2 -0.02 0.08 -0.10 -0.04 7.38 7.30 2b2xA1 PHE 281 HZ -0.07 0.08 0.04 -0.04 7.32 7.33 2b2xA1 SER 282 H 0.29 0.36 0.20 -0.55 8.46 8.77 2b2xA1 SER 282 HA 0.18 0.25 1.13 -0.75 4.49 5.30 2b2xA1 SER 282 HB2 0.18 -0.11 -0.01 -0.04 3.95 3.97 2b2xA1 SER 282 HB3 0.13 -0.01 -0.10 -0.04 3.93 3.90 2b2xA1 ILE 283 H 0.11 0.62 0.36 -0.55 8.25 8.80 2b2xA1 ILE 283 HA -0.00 0.14 0.92 -0.75 4.18 4.49 2b2xA1 ILE 283 HB -0.07 -0.07 0.14 -0.04 1.89 1.86 2b2xA1 ILE 283 HG12 -0.05 0.04 -0.23 -0.04 1.49 1.21 2b2xA1 ILE 283 HG13 0.08 0.04 -0.43 -0.04 1.21 0.86 2b2xA1 ILE 283 HG23 -0.16 -0.03 -0.27 -0.04 0.93 0.44 2b2xA1 ILE 283 HD13 -0.08 -0.00 -0.19 -0.04 0.88 0.57 2b2xA1 ALA 284 H -0.12 0.53 0.12 -0.55 8.40 8.39 2b2xA1 ALA 284 HA 0.08 0.30 1.11 -0.75 4.34 5.07 2b2xA1 ALA 284 HB3 -0.15 0.00 -0.03 -0.04 1.41 1.20 2b2xA1 ILE 285 H 0.21 0.67 0.35 -0.55 8.25 8.92 2b2xA1 ILE 285 HA 0.06 0.13 0.63 -0.75 4.18 4.25 2b2xA1 ILE 285 HB 0.15 -0.03 0.10 -0.04 1.89 2.07 2b2xA1 ILE 285 HG12 -0.03 0.01 -0.28 -0.04 1.49 1.15 2b2xA1 ILE 285 HG13 0.02 0.11 -0.21 -0.04 1.21 1.08 2b2xA1 ILE 285 HG23 0.05 -0.06 -0.24 -0.04 0.93 0.64 2b2xA1 ILE 285 HD13 -0.01 -0.02 -0.20 -0.04 0.88 0.62 2b2xA1 LEU 286 H 0.10 0.75 0.20 -0.55 8.37 8.88 2b2xA1 LEU 286 HA 0.26 0.12 0.62 -0.75 4.35 4.59 2b2xA1 LEU 286 HB2 0.09 0.06 0.08 -0.04 1.64 1.84 2b2xA1 LEU 286 HB3 0.13 -0.04 0.11 -0.04 1.64 1.80 2b2xA1 LEU 286 HG 0.09 0.11 -0.08 -0.04 1.64 1.72 2b2xA1 LEU 286 HD13 0.08 -0.01 -0.06 -0.04 0.93 0.89 2b2xA1 LEU 286 HD23 0.24 -0.03 -0.31 -0.04 0.89 0.74 2b2xA1 GLY 287 H 0.07 -0.04 -0.21 -0.55 8.43 7.71 2b2xA1 GLY 287 HA2 0.01 0.11 0.46 -0.51 4.01 4.07 2b2xA1 GLY 287 HA3 -0.07 -0.09 0.43 -0.51 4.01 3.78 2b2xA1 HIS 288 H -0.13 0.08 0.01 -0.55 8.41 7.82 2b2xA1 HIS 288 HA -0.01 0.05 0.33 -0.75 4.63 4.24 2b2xA1 HIS 288 HB2 -0.01 0.04 0.07 -0.04 3.26 3.32 2b2xA1 HIS 288 HB3 -0.14 0.02 0.01 -0.04 3.20 3.05 2b2xA1 HIS 288 HD2 0.04 0.01 0.03 -0.04 6.97 7.00 2b2xA1 HIS 288 HE1 -0.02 0.02 0.05 -0.04 7.75 7.76 2b2xA1 TYR 289 H 0.37 0.14 -0.42 -0.55 8.29 7.82 2b2xA1 TYR 289 HA -0.00 0.02 0.42 -0.75 4.56 4.24 2b2xA1 TYR 289 HB2 0.05 0.07 0.09 -0.04 3.06 3.23 2b2xA1 TYR 289 HB3 0.03 0.09 -0.15 -0.04 2.98 2.91 2b2xA1 TYR 289 HD2 -0.08 0.14 -0.12 -0.04 7.15 7.05 2b2xA1 TYR 289 HE2 -0.39 -0.01 -0.00 -0.04 6.85 6.41 2b2xA1 ASN 290 H 0.14 0.42 0.03 -0.55 8.53 8.57 2b2xA1 ASN 290 HA 0.07 0.18 0.66 -0.75 4.76 4.92 2b2xA1 ASN 290 HB2 0.05 0.03 0.12 -0.04 2.88 3.05 2b2xA1 ASN 290 HB3 0.05 -0.06 0.10 -0.04 2.79 2.83 2b2xA1 ASN 290 HD21 0.09 -0.11 -0.02 -0.04 7.03 6.95 2b2xA1 ASN 290 HD22 0.07 0.01 -0.07 -0.04 7.74 7.71 2b2xA1 LEU 294 HA 0.04 -0.18 0.30 -0.75 4.35 3.76 2b2xA1 LEU 294 HB2 0.02 0.44 -0.21 -0.04 1.64 1.86 2b2xA1 LEU 294 HB3 0.03 -0.08 -0.09 -0.04 1.64 1.47 2b2xA1 LEU 294 HG -0.03 0.02 0.13 -0.04 1.64 1.73 2b2xA1 LEU 294 HD13 -0.16 0.01 0.00 -0.04 0.93 0.74 2b2xA1 LEU 294 HD23 -0.02 -0.04 0.07 -0.04 0.89 0.87 2b2xA1 SER 295 H 0.08 0.05 0.14 -0.55 8.46 8.17 2b2xA1 SER 295 HA 0.09 0.12 0.52 -0.75 4.49 4.46 2b2xA1 SER 295 HB2 0.06 -0.10 0.14 -0.04 3.95 4.01 2b2xA1 SER 295 HB3 0.06 0.10 0.16 -0.04 3.93 4.21 2b2xA1 THR 296 H 0.09 0.18 0.20 -0.55 8.28 8.21 2b2xA1 THR 296 HA 0.01 0.20 0.71 -0.75 4.39 4.56 2b2xA1 THR 296 HB 0.06 -0.05 0.09 -0.04 4.32 4.38 2b2xA1 THR 296 HG23 0.14 0.05 -0.03 -0.04 1.22 1.34 2b2xA1 GLU 297 H 0.06 0.08 -0.10 -0.55 8.60 8.10 2b2xA1 GLU 297 HA 0.01 0.10 0.32 -0.75 4.29 3.96 2b2xA1 GLU 297 HB2 0.04 -0.04 0.08 -0.04 2.09 2.13 2b2xA1 GLU 297 HB3 0.01 0.08 0.00 -0.04 1.99 2.05 2b2xA1 GLU 297 HG2 0.03 0.00 0.08 -0.04 2.34 2.41 2b2xA1 GLU 297 HG3 0.04 -0.04 0.09 -0.04 2.34 2.39 2b2xA1 LYS 298 H 0.06 0.17 -0.11 -0.55 8.42 7.99 2b2xA1 LYS 298 HA 0.01 0.09 0.38 -0.75 4.32 4.04 2b2xA1 LYS 298 HB2 0.05 0.02 0.08 -0.04 1.87 1.98 2b2xA1 LYS 298 HB3 0.09 0.03 -0.04 -0.04 1.79 1.83 2b2xA1 LYS 298 HG2 0.04 -0.02 -0.02 -0.04 1.46 1.42 2b2xA1 LYS 298 HG3 0.02 0.02 0.04 -0.04 1.46 1.50 2b2xA1 LYS 298 HD2 0.05 0.00 -0.03 -0.04 1.69 1.67 2b2xA1 LYS 298 HD3 0.03 0.02 -0.02 -0.04 1.68 1.68 2b2xA1 LYS 298 HE2 0.05 -0.02 0.00 -0.04 2.99 2.97 2b2xA1 LYS 298 HE3 0.03 0.04 -0.01 -0.04 2.99 3.01 2b2xA1 PHE 299 H 0.13 0.12 -0.45 -0.55 8.34 7.59 2b2xA1 PHE 299 HA -0.06 -0.03 0.37 -0.75 4.62 4.15 2b2xA1 PHE 299 HB2 -0.42 -0.02 0.04 -0.04 3.15 2.71 2b2xA1 PHE 299 HB3 -0.42 0.24 0.12 -0.04 3.06 2.96 2b2xA1 PHE 299 HD2 -0.29 -0.01 -0.10 -0.04 7.28 6.83 2b2xA1 PHE 299 HE2 -0.02 0.05 -0.41 -0.04 7.38 6.96 2b2xA1 PHE 299 HZ 0.05 -0.01 -0.28 -0.04 7.32 7.04 2b2xA1 VAL 300 H -0.06 0.67 -0.06 -0.55 8.24 8.23 2b2xA1 VAL 300 HA -0.36 0.00 0.31 -0.75 4.13 3.34 2b2xA1 VAL 300 HB -0.08 0.11 0.11 -0.04 2.12 2.22 2b2xA1 VAL 300 HG13 -0.14 -0.00 -0.17 -0.04 0.97 0.62 2b2xA1 VAL 300 HG23 -0.01 0.05 -0.06 -0.04 0.95 0.88 2b2xA1 GLU 301 H -0.11 0.49 -0.11 -0.55 8.60 8.32 2b2xA1 GLU 301 HA -0.20 0.05 0.39 -0.75 4.29 3.78 2b2xA1 GLU 301 HB2 -0.08 0.00 0.07 -0.04 2.09 2.04 2b2xA1 GLU 301 HB3 -0.06 0.05 0.08 -0.04 1.99 2.02 2b2xA1 GLU 301 HG2 -0.05 -0.02 -0.03 -0.04 2.34 2.21 2b2xA1 GLU 301 HG3 -0.07 0.00 -0.16 -0.04 2.34 2.07 2b2xA1 GLU 302 H -0.10 0.44 -0.28 -0.55 8.60 8.13 2b2xA1 GLU 302 HA -0.07 0.04 0.41 -0.75 4.29 3.92 2b2xA1 GLU 302 HB2 0.01 0.00 0.11 -0.04 2.09 2.17 2b2xA1 GLU 302 HB3 -0.00 0.15 0.18 -0.04 1.99 2.27 2b2xA1 GLU 302 HG2 0.00 0.03 -0.31 -0.04 2.34 2.03 2b2xA1 GLU 302 HG3 -0.01 -0.00 -0.01 -0.04 2.34 2.28 2b2xA1 ILE 303 H -0.26 0.50 -0.07 -0.55 8.25 7.87 2b2xA1 ILE 303 HA -0.06 -0.00 0.31 -0.75 4.18 3.67 2b2xA1 ILE 303 HB -0.16 0.10 -0.01 -0.04 1.89 1.77 2b2xA1 ILE 303 HG12 -0.66 0.31 -0.01 -0.04 1.49 1.09 2b2xA1 ILE 303 HG13 -0.50 -0.06 -0.13 -0.04 1.21 0.48 2b2xA1 ILE 303 HG23 0.17 -0.01 -0.23 -0.04 0.93 0.82 2b2xA1 ILE 303 HD13 0.05 -0.04 -0.17 -0.04 0.88 0.68 2b2xA1 LYS 304 H -0.47 0.52 -0.24 -0.55 8.42 7.67 2b2xA1 LYS 304 HA -0.50 0.03 0.44 -0.75 4.32 3.54 2b2xA1 LYS 304 HB2 -0.40 0.08 0.14 -0.04 1.87 1.65 2b2xA1 LYS 304 HB3 -0.33 -0.04 -0.04 -0.04 1.79 1.34 2b2xA1 LYS 304 HG2 -1.47 -0.01 -0.01 -0.04 1.46 -0.07 2b2xA1 LYS 304 HG3 -1.44 0.12 0.01 -0.04 1.46 0.11 2b2xA1 LYS 304 HD2 -0.32 -0.04 -0.11 -0.04 1.69 1.18 2b2xA1 LYS 304 HD3 -0.27 -0.04 -0.06 -0.04 1.68 1.27 2b2xA1 LYS 304 HE2 -0.09 0.04 -0.09 -0.04 2.99 2.80 2b2xA1 LYS 304 HE3 -0.27 -0.03 -0.11 -0.04 2.99 2.54 2b2xA1 SER 305 H -0.17 0.49 -0.20 -0.55 8.46 8.03 2b2xA1 SER 305 HA -0.10 0.01 0.29 -0.75 4.49 3.94 2b2xA1 SER 305 HB2 -0.06 -0.09 0.09 -0.04 3.95 3.85 2b2xA1 SER 305 HB3 -0.08 0.00 0.13 -0.04 3.93 3.94 2b2xA1 ILE 306 H -0.08 0.19 -1.06 -0.55 8.25 6.75 2b2xA1 ILE 306 HA -0.04 0.02 0.58 -0.75 4.18 3.99 2b2xA1 ILE 306 HB 0.01 0.28 0.09 -0.04 1.89 2.23 2b2xA1 ILE 306 HG12 -0.02 -0.06 -0.09 -0.04 1.49 1.29 2b2xA1 ILE 306 HG13 -0.03 0.19 -0.08 -0.04 1.21 1.24 2b2xA1 ILE 306 HG23 0.02 -0.04 -0.19 -0.04 0.93 0.68 2b2xA1 ILE 306 HD13 0.01 -0.07 -0.10 -0.04 0.88 0.68 2b2xA1 ALA 307 H -0.03 0.25 0.00 -0.55 8.40 8.08 2b2xA1 ALA 307 HA -0.06 0.07 0.34 -0.75 4.34 3.94 2b2xA1 ALA 307 HB3 0.08 -0.03 0.05 -0.04 1.41 1.47 2b2xA1 SER 308 H -0.49 0.45 0.29 -0.55 8.46 8.16 2b2xA1 SER 308 HA -0.22 0.07 0.58 -0.75 4.49 4.16 2b2xA1 SER 308 HB2 -1.25 0.09 0.09 -0.04 3.95 2.84 2b2xA1 SER 308 HB3 -0.36 0.01 0.12 -0.04 3.93 3.65 2b2xA1 GLU 309 H -0.13 0.09 0.11 -0.55 8.60 8.12 2b2xA1 GLU 309 HA -0.02 -0.14 0.36 -0.75 4.29 3.74 2b2xA1 GLU 309 HB2 -0.04 0.03 0.12 -0.04 2.09 2.15 2b2xA1 GLU 309 HB3 -0.01 -0.02 0.02 -0.04 1.99 1.94 2b2xA1 GLU 309 HG2 -0.06 0.08 0.02 -0.04 2.34 2.34 2b2xA1 GLU 309 HG3 -0.03 -0.00 0.03 -0.04 2.34 2.29 2b2xA1 PRO 310 HA 0.02 -0.04 0.42 -0.51 4.44 4.33 2b2xA1 PRO 310 HB2 0.02 -0.10 0.02 -0.04 2.28 2.18 2b2xA1 PRO 310 HB3 0.02 0.05 0.10 -0.04 2.02 2.14 2b2xA1 PRO 310 HG2 0.05 -0.06 0.07 -0.04 2.03 2.04 2b2xA1 PRO 310 HG3 0.03 0.06 0.07 -0.04 2.03 2.15 2b2xA1 PRO 310 HD2 0.14 0.22 0.29 -0.04 3.68 4.30 2b2xA1 PRO 310 HD3 0.06 0.07 0.16 -0.04 3.65 3.90 2b2xA1 THR 311 H 0.00 0.09 0.11 -0.55 8.28 7.93 2b2xA1 THR 311 HA 0.04 0.26 0.30 -0.75 4.39 4.24 2b2xA1 THR 311 HB -0.02 -0.08 0.10 -0.04 4.32 4.27 2b2xA1 THR 311 HG23 -0.05 0.01 -0.09 -0.04 1.22 1.05 2b2xA1 GLU 312 H 0.01 0.02 -0.16 -0.55 8.60 7.92 2b2xA1 GLU 312 HA -0.01 0.08 0.38 -0.75 4.29 3.99 2b2xA1 GLU 312 HB2 -0.03 0.05 0.05 -0.04 2.09 2.12 2b2xA1 GLU 312 HB3 -0.01 -0.05 0.09 -0.04 1.99 1.98 2b2xA1 GLU 312 HG2 0.00 -0.11 -0.00 -0.04 2.34 2.18 2b2xA1 GLU 312 HG3 -0.01 0.11 -0.12 -0.04 2.34 2.28 2b2xA1 LYS 313 H -0.00 0.32 -0.45 -0.55 8.42 7.73 2b2xA1 LYS 313 HA -0.12 0.20 0.92 -0.75 4.32 4.56 2b2xA1 LYS 313 HB2 -0.12 0.07 0.11 -0.04 1.87 1.89 2b2xA1 LYS 313 HB3 -0.10 0.06 0.18 -0.04 1.79 1.90 2b2xA1 LYS 313 HG2 -0.02 -0.17 -0.14 -0.04 1.46 1.09 2b2xA1 LYS 313 HG3 -0.01 -0.00 -0.01 -0.04 1.46 1.40 2b2xA1 LYS 313 HD2 -0.06 0.18 -0.15 -0.04 1.69 1.62 2b2xA1 LYS 313 HD3 -0.02 -0.09 -0.13 -0.04 1.68 1.39 2b2xA1 LYS 313 HE2 0.00 -0.04 -0.01 -0.04 2.99 2.90 2b2xA1 LYS 313 HE3 0.01 -0.04 -0.00 -0.04 2.99 2.91 2b2xA1 HIS 314 H -0.02 0.10 -0.16 -0.55 8.41 7.79 2b2xA1 HIS 314 HA 0.07 0.13 0.64 -0.75 4.63 4.72 2b2xA1 HIS 314 HB2 -0.08 0.09 0.04 -0.04 3.26 3.28 2b2xA1 HIS 314 HB3 -0.17 -0.09 0.23 -0.04 3.20 3.13 2b2xA1 HIS 314 HD2 -1.81 -0.08 -0.01 -0.04 6.97 5.03 2b2xA1 HIS 314 HE1 -0.10 -0.04 -0.13 -0.04 7.75 7.44 2b2xA1 PHE 315 H 0.12 0.46 0.29 -0.55 8.34 8.65 2b2xA1 PHE 315 HA 0.12 0.25 1.06 -0.75 4.62 5.29 2b2xA1 PHE 315 HB2 -0.02 -0.02 0.12 -0.04 3.15 3.19 2b2xA1 PHE 315 HB3 -0.07 0.06 0.16 -0.04 3.06 3.17 2b2xA1 PHE 315 HD2 -0.04 0.01 -0.14 -0.04 7.28 7.06 2b2xA1 PHE 315 HE2 -0.11 -0.12 -0.14 -0.04 7.38 6.97 2b2xA1 PHE 315 HZ -0.15 -0.13 -0.06 -0.04 7.32 6.93 2b2xA1 PHE 316 H -0.22 0.65 0.44 -0.55 8.34 8.65 2b2xA1 PHE 316 HA -0.39 0.22 0.94 -0.75 4.62 4.63 2b2xA1 PHE 316 HB2 -0.17 -0.02 0.05 -0.04 3.15 2.96 2b2xA1 PHE 316 HB3 -0.18 -0.09 -0.02 -0.04 3.06 2.74 2b2xA1 PHE 316 HD2 -0.01 0.04 -0.17 -0.04 7.28 7.10 2b2xA1 PHE 316 HE2 0.09 0.03 -0.22 -0.04 7.38 7.24 2b2xA1 PHE 316 HZ 0.03 0.15 -0.48 -0.04 7.32 6.98 2b2xA1 ASN 317 H -0.12 0.28 0.11 -0.55 8.53 8.25 2b2xA1 ASN 317 HA -0.18 0.17 0.86 -0.75 4.76 4.86 2b2xA1 ASN 317 HB2 -0.23 0.05 -0.21 -0.04 2.88 2.46 2b2xA1 ASN 317 HB3 -0.10 0.01 0.06 -0.04 2.79 2.72 2b2xA1 ASN 317 HD21 0.03 -0.05 -0.23 -0.04 7.03 6.75 2b2xA1 ASN 317 HD22 -0.00 -0.01 -0.85 -0.04 7.74 6.84 2b2xA1 VAL 318 H -0.02 0.67 0.27 -0.55 8.24 8.60 2b2xA1 VAL 318 HA -0.00 0.25 0.98 -0.75 4.13 4.60 2b2xA1 VAL 318 HB -0.02 -0.16 -0.11 -0.04 2.12 1.79 2b2xA1 VAL 318 HG13 -0.03 0.03 -0.33 -0.04 0.97 0.60 2b2xA1 VAL 318 HG23 -0.05 -0.03 -0.22 -0.04 0.95 0.61 2b2xA1 SER 319 H 0.01 0.20 0.16 -0.55 8.46 8.28 2b2xA1 SER 319 HA 0.04 0.12 0.42 -0.75 4.49 4.31 2b2xA1 SER 319 HB2 0.02 0.05 0.04 -0.04 3.95 4.02 2b2xA1 SER 319 HB3 0.02 0.09 0.12 -0.04 3.93 4.11 2b2xA1 ASP 320 H 0.00 0.15 0.02 -0.55 8.40 8.02 2b2xA1 ASP 320 HA 0.01 0.06 0.50 -0.75 4.63 4.45 2b2xA1 ASP 320 HB2 -0.01 0.02 0.23 -0.04 2.71 2.91 2b2xA1 ASP 320 HB3 -0.00 0.23 -0.14 -0.04 2.70 2.75 2b2xA1 GLU 321 H -0.00 0.29 0.16 -0.55 8.60 8.50 2b2xA1 GLU 321 HA -0.04 0.11 0.31 -0.75 4.29 3.91 2b2xA1 GLU 321 HB2 0.01 0.09 0.10 -0.04 2.09 2.24 2b2xA1 GLU 321 HB3 -0.02 0.00 -0.04 -0.04 1.99 1.89 2b2xA1 GLU 321 HG2 0.06 -0.01 -0.16 -0.04 2.34 2.19 2b2xA1 GLU 321 HG3 0.02 -0.00 -0.04 -0.04 2.34 2.28 2b2xA1 LEU 322 H -0.01 0.04 -0.33 -0.55 8.37 7.52 2b2xA1 LEU 322 HA -0.02 0.15 0.55 -0.75 4.35 4.28 2b2xA1 LEU 322 HB2 -0.00 -0.06 0.06 -0.04 1.64 1.60 2b2xA1 LEU 322 HB3 -0.01 0.08 -0.06 -0.04 1.64 1.61 2b2xA1 LEU 322 HG -0.00 0.06 0.02 -0.04 1.64 1.67 2b2xA1 LEU 322 HD13 -0.01 0.02 0.03 -0.04 0.93 0.93 2b2xA1 LEU 322 HD23 -0.01 -0.01 -0.02 -0.04 0.89 0.81 2b2xA1 ALA 323 H -0.01 0.08 -0.17 -0.55 8.40 7.75 2b2xA1 ALA 323 HA -0.01 0.13 0.43 -0.75 4.34 4.14 2b2xA1 ALA 323 HB3 -0.01 0.01 0.13 -0.04 1.41 1.51 2b2xA1 LEU 324 H -0.05 0.20 -0.79 -0.55 8.37 7.18 2b2xA1 LEU 324 HA -0.13 0.03 0.21 -0.75 4.35 3.71 2b2xA1 LEU 324 HB2 -0.08 0.21 -0.01 -0.04 1.64 1.72 2b2xA1 LEU 324 HB3 -0.26 0.01 -0.12 -0.04 1.64 1.23 2b2xA1 LEU 324 HG -0.16 -0.08 -0.08 -0.04 1.64 1.28 2b2xA1 LEU 324 HD13 -0.32 0.02 -0.09 -0.04 0.93 0.49 2b2xA1 LEU 324 HD23 -0.50 -0.00 -0.15 -0.04 0.89 0.19 2b2xA1 VAL 325 H 0.02 0.29 -0.28 -0.55 8.24 7.72 2b2xA1 VAL 325 HA 0.12 0.09 0.41 -0.75 4.13 3.99 2b2xA1 VAL 325 HB 0.00 0.02 0.03 -0.04 2.12 2.14 2b2xA1 VAL 325 HG13 0.02 0.02 -0.05 -0.04 0.97 0.92 2b2xA1 VAL 325 HG23 0.00 0.07 -0.02 -0.04 0.95 0.96 2b2xA1 THR 326 H 0.01 0.32 -0.36 -0.55 8.28 7.70 2b2xA1 THR 326 HA 0.01 0.07 0.39 -0.75 4.39 4.11 2b2xA1 THR 326 HB 0.02 -0.01 0.19 -0.04 4.32 4.48 2b2xA1 THR 326 HG23 0.01 -0.02 0.04 -0.04 1.22 1.20 2b2xA1 ILE 327 H 0.03 0.16 -0.94 -0.55 8.25 6.94 2b2xA1 ILE 327 HA 0.00 0.19 0.95 -0.75 4.18 4.57 2b2xA1 ILE 327 HB -0.03 0.22 -0.01 -0.04 1.89 2.04 2b2xA1 ILE 327 HG12 0.08 0.05 -0.12 -0.04 1.49 1.46 2b2xA1 ILE 327 HG13 -0.01 0.00 -0.35 -0.04 1.21 0.81 2b2xA1 ILE 327 HG23 -0.64 -0.01 -0.23 -0.04 0.93 0.01 2b2xA1 ILE 327 HD13 -0.08 -0.02 -0.20 -0.04 0.88 0.54 2b2xA1 VAL 328 H 0.01 0.21 0.04 -0.55 8.24 7.95 2b2xA1 VAL 328 HA -0.14 0.03 0.24 -0.75 4.13 3.51 2b2xA1 VAL 328 HB -0.14 0.15 -0.06 -0.04 2.12 2.02 2b2xA1 VAL 328 HG13 -0.16 -0.01 -0.01 -0.04 0.97 0.75 2b2xA1 VAL 328 HG23 -0.05 0.06 0.02 -0.04 0.95 0.94 2b2xA1 LYS 329 H -0.03 0.07 -0.43 -0.55 8.42 7.48 2b2xA1 LYS 329 HA -0.03 0.08 0.38 -0.75 4.32 4.00 2b2xA1 LYS 329 HB2 -0.01 0.01 0.04 -0.04 1.87 1.87 2b2xA1 LYS 329 HB3 0.01 -0.06 0.04 -0.04 1.79 1.74 2b2xA1 LYS 329 HG2 0.02 0.07 -0.34 -0.04 1.46 1.17 2b2xA1 LYS 329 HG3 0.00 0.01 -0.05 -0.04 1.46 1.38 2b2xA1 LYS 329 HD2 0.01 -0.01 -0.02 -0.04 1.69 1.62 2b2xA1 LYS 329 HD3 0.02 -0.02 -0.02 -0.04 1.68 1.61 2b2xA1 LYS 329 HE2 0.01 -0.02 -0.02 -0.04 2.99 2.92 2b2xA1 LYS 329 HE3 0.02 0.02 -0.05 -0.04 2.99 2.94 2b2xA1 ALA 330 H 0.04 0.07 -0.07 -0.55 8.40 7.89 2b2xA1 ALA 330 HA 0.09 0.05 0.26 -0.75 4.34 3.99 2b2xA1 ALA 330 HB3 0.25 -0.00 0.04 -0.04 1.41 1.66 2b2xA1 LEU 331 H -0.14 0.70 -0.27 -0.55 8.37 8.11 2b2xA1 LEU 331 HA -0.13 0.03 0.15 -0.75 4.35 3.65 2b2xA1 LEU 331 HB2 -0.56 -0.09 -0.22 -0.04 1.64 0.73 2b2xA1 LEU 331 HB3 -0.23 0.02 -0.13 -0.04 1.64 1.26 2b2xA1 LEU 331 HG -0.35 0.02 -0.17 -0.04 1.64 1.10 2b2xA1 LEU 331 HD13 -0.06 -0.04 -0.20 -0.04 0.93 0.59 2b2xA1 LEU 331 HD23 -0.26 0.01 -0.37 -0.04 0.89 0.24 2b2xA1 GLY 332 H -0.11 0.61 -0.13 -0.55 8.43 8.25 2b2xA1 GLY 332 HA2 -0.15 0.02 0.40 -0.51 4.01 3.77 2b2xA1 GLY 332 HA3 -0.09 0.07 0.36 -0.51 4.01 3.84 2b2xA1 GLU 333 H -0.01 0.56 0.03 -0.55 8.60 8.63 2b2xA1 GLU 333 HA 0.05 -0.02 0.41 -0.75 4.29 3.97 2b2xA1 GLU 333 HB2 0.05 -0.06 0.18 -0.04 2.09 2.22 2b2xA1 GLU 333 HB3 0.02 -0.04 0.13 -0.04 1.99 2.06 2b2xA1 GLU 333 HG2 0.04 0.35 -0.05 -0.04 2.34 2.63 2b2xA1 GLU 333 HG3 0.06 0.01 0.01 -0.04 2.34 2.37 2b2xA1 ARG 334 H -0.02 0.37 -0.65 -0.55 8.46 7.61 2b2xA1 ARG 334 HA 0.12 0.02 0.64 -0.75 4.34 4.37 2b2xA1 ARG 334 HB2 0.14 0.11 -0.20 -0.04 1.90 1.92 2b2xA1 ARG 334 HB3 0.16 0.13 -0.08 -0.04 1.80 1.97 2b2xA1 ARG 334 HG2 0.13 0.11 0.07 -0.04 1.67 1.93 2b2xA1 ARG 334 HG3 0.08 -0.09 0.13 -0.04 1.67 1.74 2b2xA1 ARG 334 HD2 0.20 -0.03 -0.22 -0.04 3.22 3.13 2b2xA1 ARG 334 HD3 -0.02 -0.13 -0.01 -0.04 3.22 3.02 2b2xA1 ILE 335 H -0.11 0.50 0.41 -0.55 8.25 8.50 2b2xA1 ILE 335 HA -0.26 0.10 0.76 -0.75 4.18 4.03 2b2xA1 ILE 335 HB -0.25 0.08 0.18 -0.04 1.89 1.87 2b2xA1 ILE 335 HG12 -1.65 -0.03 -0.04 -0.04 1.49 -0.27 2b2xA1 ILE 335 HG13 -0.62 0.33 0.00 -0.04 1.21 0.88 2b2xA1 ILE 335 HG23 -0.21 0.01 -0.03 -0.04 0.93 0.65 2b2xA1 ILE 335 HD13 -0.54 -0.06 -0.12 -0.04 0.88 0.12 2b2xA1 PHE 336 H 0.00 -0.02 0.08 -0.55 8.34 7.85 2b2xA1 PHE 336 HA -0.00 0.01 0.13 -0.75 4.62 4.00 2b2xA1 PHE 336 HB2 0.02 -0.03 -0.01 -0.04 3.15 3.09 2b2xA1 PHE 336 HB3 0.02 -0.00 -0.14 -0.04 3.06 2.90 2b2xA1 PHE 336 HD2 0.04 -0.00 -0.10 -0.04 7.28 7.17 2b2xA1 PHE 336 HE2 0.05 -0.02 -0.05 -0.04 7.38 7.32 2b2xA1 PHE 336 HZ 0.06 -0.04 -0.04 -0.04 7.32 7.26