============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TRP 14 1.040 42.181 24.319 41.148 -99.200 -91.000 TRP6 14 1.020 39.824 24.499 41.048 -99.200 -91.000 PHE 21 1.000 41.293 23.789 33.067 -99.200 -91.000 HIS 26 0.900 28.615 18.698 28.705 -99.200 -91.000 HIS 27 0.900 21.156 22.113 26.311 -99.200 -91.000 HIS 39 0.900 26.313 27.485 31.129 -99.200 -91.000 TYR 41 0.840 33.926 27.569 33.484 -99.200 -91.000 TYR 49 0.840 46.797 17.147 30.749 -99.200 -91.000 PHE 53 1.000 44.762 22.263 37.071 -99.200 -91.000 TRP 61 1.040 43.294 15.352 34.530 -99.200 -91.000 TRP6 61 1.020 41.021 14.710 34.672 -99.200 -91.000 TYR 63 0.840 46.755 24.157 41.043 -99.200 -91.000 HIS 72 0.900 52.883 22.381 50.345 -99.200 -91.000 TRP 74 1.040 46.766 20.543 48.026 -99.200 -91.000 TRP6 74 1.020 48.116 22.245 47.085 -99.200 -91.000 HIS 77 0.900 37.716 17.054 39.625 -99.200 -91.000 PHE 81 1.000 34.964 21.559 47.887 -99.200 -91.000 HIS 100 0.900 26.244 12.825 38.516 -99.200 -91.000 HIS 105 0.900 39.307 19.527 36.705 -99.200 -91.000 HIS 109 0.900 29.108 22.551 36.736 -99.200 -91.000 TRP 112 1.040 35.687 18.357 51.587 -99.200 -91.000 TRP6 112 1.020 37.185 17.500 49.979 -99.200 -91.000 TRP 123 1.040 22.204 4.245 41.449 -99.200 -91.000 TRP6 123 1.020 24.406 4.266 42.317 -99.200 -91.000 HIS 133 0.900 21.640 13.752 47.613 -99.200 -91.000 TYR 144 0.840 15.135 8.218 38.633 -99.200 -91.000 HIS 159 0.900 12.681 -25.785 54.304 -99.200 -91.000 PHE 160 1.000 14.914 -19.803 52.979 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2o6mB1 ALA 202 HA -0.18 0.02 0.13 -0.75 4.34 3.56 2o6mB1 ALA 202 HB3 -0.26 -0.05 0.00 -0.04 1.41 1.06 2o6mB1 LEU 203 H -0.03 -0.07 0.09 -0.55 8.37 7.81 2o6mB1 LEU 203 HA 0.01 0.27 0.95 -0.75 4.35 4.83 2o6mB1 LEU 203 HB2 0.04 0.01 -0.04 -0.04 1.64 1.61 2o6mB1 LEU 203 HB3 0.02 -0.10 0.09 -0.04 1.64 1.60 2o6mB1 LEU 203 HG 0.02 -0.02 -0.06 -0.04 1.64 1.53 2o6mB1 LEU 203 HD13 0.05 0.03 0.02 -0.04 0.93 0.99 2o6mB1 LEU 203 HD23 0.03 -0.01 -0.02 -0.04 0.89 0.85 2o6mB1 THR 204 H -0.00 -0.02 0.14 -0.55 8.28 7.84 2o6mB1 THR 204 HA -0.01 0.22 0.58 -0.75 4.39 4.43 2o6mB1 THR 204 HB -0.01 -0.03 0.17 -0.04 4.32 4.41 2o6mB1 THR 204 HG23 0.00 0.04 0.06 -0.04 1.22 1.28 2o6mB1 ASN 205 H -0.02 0.17 0.18 -0.55 8.53 8.31 2o6mB1 ASN 205 HA -0.04 0.19 0.40 -0.75 4.76 4.56 2o6mB1 ASN 205 HB2 -0.02 0.08 0.15 -0.04 2.88 3.04 2o6mB1 ASN 205 HB3 -0.02 -0.07 0.15 -0.04 2.79 2.80 2o6mB1 ASN 205 HD21 -0.03 0.04 -0.08 -0.04 7.03 6.92 2o6mB1 ASN 205 HD22 -0.02 -0.05 -0.13 -0.04 7.74 7.50 2o6mB1 ALA 206 H -0.02 0.08 -0.03 -0.55 8.40 7.89 2o6mB1 ALA 206 HA -0.03 0.11 0.36 -0.75 4.34 4.03 2o6mB1 ALA 206 HB3 -0.01 0.02 0.05 -0.04 1.41 1.42 2o6mB1 GLN 207 H -0.02 -0.02 -0.47 -0.55 8.47 7.41 2o6mB1 GLN 207 HA -0.01 0.05 0.38 -0.75 4.36 4.02 2o6mB1 GLN 207 HB2 -0.02 0.03 0.05 -0.04 2.15 2.17 2o6mB1 GLN 207 HB3 -0.01 0.21 -0.01 -0.04 2.02 2.17 2o6mB1 GLN 207 HG2 0.01 0.05 -0.00 -0.04 2.40 2.41 2o6mB1 GLN 207 HG3 -0.00 -0.11 0.00 -0.04 2.39 2.24 2o6mB1 GLN 207 HE21 0.03 0.04 -0.02 -0.04 6.97 6.98 2o6mB1 GLN 207 HE22 0.02 0.02 -0.01 -0.04 7.69 7.67 2o6mB1 ILE 208 H -0.05 0.45 -0.21 -0.55 8.25 7.89 2o6mB1 ILE 208 HA -0.14 0.11 0.38 -0.75 4.18 3.78 2o6mB1 ILE 208 HB -0.09 0.02 0.07 -0.04 1.89 1.84 2o6mB1 ILE 208 HG12 -0.05 0.20 -0.22 -0.04 1.49 1.38 2o6mB1 ILE 208 HG13 -0.07 0.02 -0.17 -0.04 1.21 0.95 2o6mB1 ILE 208 HG23 -0.21 -0.01 -0.21 -0.04 0.93 0.47 2o6mB1 ILE 208 HD13 -0.07 0.08 -0.17 -0.04 0.88 0.68 2o6mB1 LEU 209 H -0.07 0.57 -0.11 -0.55 8.37 8.21 2o6mB1 LEU 209 HA -0.11 0.02 0.36 -0.75 4.35 3.86 2o6mB1 LEU 209 HB2 -0.05 0.11 0.08 -0.04 1.64 1.74 2o6mB1 LEU 209 HB3 -0.06 -0.04 0.03 -0.04 1.64 1.54 2o6mB1 LEU 209 HG -0.06 0.24 0.03 -0.04 1.64 1.82 2o6mB1 LEU 209 HD13 -0.04 -0.02 -0.04 -0.04 0.93 0.78 2o6mB1 LEU 209 HD23 -0.08 -0.01 -0.02 -0.04 0.89 0.73 2o6mB1 ALA 210 H -0.05 0.33 -0.54 -0.55 8.40 7.59 2o6mB1 ALA 210 HA -0.02 -0.00 0.44 -0.75 4.34 4.01 2o6mB1 ALA 210 HB3 -0.00 0.05 0.09 -0.04 1.41 1.50 2o6mB1 VAL 211 H -0.07 0.49 -0.10 -0.55 8.24 8.01 2o6mB1 VAL 211 HA 0.06 -0.01 0.38 -0.75 4.13 3.80 2o6mB1 VAL 211 HB -0.32 0.15 0.17 -0.04 2.12 2.08 2o6mB1 VAL 211 HG13 -0.56 -0.03 -0.15 -0.04 0.97 0.19 2o6mB1 VAL 211 HG23 -0.01 0.07 0.02 -0.04 0.95 0.99 2o6mB1 ILE 212 H -0.17 0.63 -0.09 -0.55 8.25 8.06 2o6mB1 ILE 212 HA -0.23 0.00 0.32 -0.75 4.18 3.52 2o6mB1 ILE 212 HB -0.15 0.06 0.11 -0.04 1.89 1.87 2o6mB1 ILE 212 HG12 -0.45 0.12 -0.06 -0.04 1.49 1.07 2o6mB1 ILE 212 HG13 -0.32 0.12 0.01 -0.04 1.21 0.98 2o6mB1 ILE 212 HG23 -0.19 -0.02 -0.13 -0.04 0.93 0.56 2o6mB1 ILE 212 HD13 -0.27 -0.04 -0.05 -0.04 0.88 0.48 2o6mB1 ASP 213 H -0.04 0.63 -0.14 -0.55 8.40 8.30 2o6mB1 ASP 213 HA -0.01 0.00 0.40 -0.75 4.63 4.26 2o6mB1 ASP 213 HB2 -0.01 0.10 0.18 -0.04 2.71 2.94 2o6mB1 ASP 213 HB3 -0.01 -0.06 -0.01 -0.04 2.70 2.58 2o6mB1 SER 214 H 0.06 0.54 -0.19 -0.55 8.46 8.32 2o6mB1 SER 214 HA 0.04 0.02 0.52 -0.75 4.49 4.33 2o6mB1 SER 214 HB2 0.14 -0.06 0.06 -0.04 3.95 4.05 2o6mB1 SER 214 HB3 0.08 -0.01 0.10 -0.04 3.93 4.06 2o6mB1 TRP 215 H 0.17 0.46 -0.22 -0.55 7.97 7.83 2o6mB1 TRP 215 HA -0.41 0.03 0.45 -0.75 4.62 3.94 2o6mB1 TRP 215 HB2 -0.54 0.07 0.10 -0.04 3.23 2.81 2o6mB1 TRP 215 HB3 -0.30 0.13 0.19 -0.04 3.23 3.21 2o6mB1 TRP 215 HD1 -1.91 -0.05 -0.02 -0.04 7.22 5.20 2o6mB1 TRP 215 HE1 0.05 0.14 0.07 -0.04 10.20 10.42 2o6mB1 TRP 215 HE3 -0.24 0.03 -0.12 -0.04 7.59 7.22 2o6mB1 TRP 215 HZ2 0.14 0.09 0.09 -0.04 7.44 7.71 2o6mB1 TRP 215 HZ3 -0.21 -0.06 0.03 -0.04 7.13 6.85 2o6mB1 TRP 215 HH2 -0.06 0.17 0.04 -0.04 7.19 7.29 2o6mB1 GLU 216 H 0.20 0.63 -0.02 -0.55 8.60 8.87 2o6mB1 GLU 216 HA -0.25 0.03 0.35 -0.75 4.29 3.66 2o6mB1 GLU 216 HB2 -0.01 0.09 0.09 -0.04 2.09 2.23 2o6mB1 GLU 216 HB3 -0.07 -0.04 0.01 -0.04 1.99 1.86 2o6mB1 GLU 216 HG2 0.31 -0.04 0.05 -0.04 2.34 2.62 2o6mB1 GLU 216 HG3 0.15 0.24 0.05 -0.04 2.34 2.75 2o6mB1 GLU 217 H -0.06 0.34 -0.43 -0.55 8.60 7.90 2o6mB1 GLU 217 HA -0.10 0.01 0.38 -0.75 4.29 3.83 2o6mB1 GLU 217 HB2 -0.03 0.04 0.14 -0.04 2.09 2.19 2o6mB1 GLU 217 HB3 -0.03 0.15 0.21 -0.04 1.99 2.28 2o6mB1 GLU 217 HG2 -0.01 -0.06 -0.00 -0.04 2.34 2.22 2o6mB1 GLU 217 HG3 -0.03 0.01 -0.26 -0.04 2.34 2.02 2o6mB1 THR 218 H -0.14 0.53 -0.06 -0.55 8.28 8.06 2o6mB1 THR 218 HA -0.11 -0.00 0.44 -0.75 4.39 3.96 2o6mB1 THR 218 HB -0.07 0.09 0.17 -0.04 4.32 4.47 2o6mB1 THR 218 HG23 0.12 -0.00 -0.08 -0.04 1.22 1.22 2o6mB1 VAL 219 H -0.76 0.69 -0.01 -0.55 8.24 7.61 2o6mB1 VAL 219 HA -2.57 0.03 0.38 -0.75 4.13 1.22 2o6mB1 VAL 219 HB -1.16 0.04 0.05 -0.04 2.12 1.01 2o6mB1 VAL 219 HG13 -0.73 0.04 -0.14 -0.04 0.97 0.09 2o6mB1 VAL 219 HG23 -1.76 0.02 0.02 -0.04 0.95 -0.81 2o6mB1 GLY 220 H -0.43 0.45 -0.50 -0.55 8.43 7.41 2o6mB1 GLY 220 HA2 -0.23 -0.06 0.36 -0.51 4.01 3.58 2o6mB1 GLY 220 HA3 -0.19 0.03 0.33 -0.51 4.01 3.67 2o6mB1 GLN 221 H -0.27 0.43 -0.72 -0.55 8.47 7.36 2o6mB1 GLN 221 HA -0.00 0.12 0.86 -0.75 4.36 4.58 2o6mB1 GLN 221 HB2 -0.04 0.12 0.10 -0.04 2.15 2.29 2o6mB1 GLN 221 HB3 0.00 -0.11 0.14 -0.04 2.02 2.01 2o6mB1 GLN 221 HG2 -0.07 0.22 -0.08 -0.04 2.40 2.42 2o6mB1 GLN 221 HG3 -0.03 -0.12 -0.00 -0.04 2.39 2.20 2o6mB1 GLN 221 HE21 -0.01 -0.06 0.02 -0.04 6.97 6.88 2o6mB1 GLN 221 HE22 -0.01 -0.03 0.07 -0.04 7.69 7.68 2o6mB1 PHE 222 H -0.07 0.44 -0.14 -0.55 8.34 8.01 2o6mB1 PHE 222 HA -0.13 0.05 0.48 -0.75 4.62 4.27 2o6mB1 PHE 222 HB2 -0.06 -0.03 -0.10 -0.04 3.15 2.93 2o6mB1 PHE 222 HB3 -0.14 0.22 -0.31 -0.04 3.06 2.78 2o6mB1 PHE 222 HD2 -0.27 0.00 -0.20 -0.04 7.28 6.77 2o6mB1 PHE 222 HE2 -0.79 -0.05 -0.02 -0.04 7.38 6.48 2o6mB1 PHE 222 HZ -1.66 -0.10 -0.11 -0.04 7.32 5.41 2o6mB1 PRO 223 HA -0.07 -0.01 0.39 -0.51 4.44 4.25 2o6mB1 PRO 223 HB2 -0.06 -0.02 0.04 -0.04 2.28 2.20 2o6mB1 PRO 223 HB3 -0.06 -0.02 0.06 -0.04 2.02 1.96 2o6mB1 PRO 223 HG2 -0.07 -0.02 0.09 -0.04 2.03 1.98 2o6mB1 PRO 223 HG3 -0.05 0.02 0.11 -0.04 2.03 2.07 2o6mB1 PRO 223 HD2 -0.12 0.33 0.24 -0.04 3.68 4.09 2o6mB1 PRO 223 HD3 -0.04 0.13 0.27 -0.04 3.65 3.98 2o6mB1 VAL 224 H -0.16 0.09 0.17 -0.55 8.24 7.79 2o6mB1 VAL 224 HA -0.38 0.27 0.79 -0.75 4.13 4.06 2o6mB1 VAL 224 HB -0.22 -0.07 0.14 -0.04 2.12 1.92 2o6mB1 VAL 224 HG13 -0.25 -0.03 -0.27 -0.04 0.97 0.38 2o6mB1 VAL 224 HG23 -0.87 0.02 -0.05 -0.04 0.95 0.00 2o6mB1 ILE 225 H -0.11 0.76 0.31 -0.55 8.25 8.66 2o6mB1 ILE 225 HA -0.15 0.12 0.95 -0.75 4.18 4.35 2o6mB1 ILE 225 HB -0.03 -0.04 0.08 -0.04 1.89 1.86 2o6mB1 ILE 225 HG12 -0.05 0.09 -0.31 -0.04 1.49 1.18 2o6mB1 ILE 225 HG13 -0.01 -0.02 -0.09 -0.04 1.21 1.05 2o6mB1 ILE 225 HG23 -0.34 0.02 -0.11 -0.04 0.93 0.46 2o6mB1 ILE 225 HD13 -0.07 0.03 -0.14 -0.04 0.88 0.66 2o6mB1 THR 226 H -0.21 0.13 0.16 -0.55 8.28 7.80 2o6mB1 THR 226 HA -0.34 0.28 0.77 -0.75 4.39 4.35 2o6mB1 THR 226 HB -0.20 -0.04 0.12 -0.04 4.32 4.16 2o6mB1 THR 226 HG23 -0.48 -0.01 -0.15 -0.04 1.22 0.54 2o6mB1 HIS 227 H -0.24 0.62 0.36 -0.55 8.41 8.61 2o6mB1 HIS 227 HA -0.09 0.13 0.89 -0.75 4.63 4.81 2o6mB1 HIS 227 HB2 -0.06 -0.06 0.08 -0.04 3.26 3.19 2o6mB1 HIS 227 HB3 -0.03 0.07 -0.05 -0.04 3.20 3.14 2o6mB1 HIS 227 HD2 0.02 -0.06 -0.11 -0.04 6.97 6.78 2o6mB1 HIS 227 HE1 0.01 -0.03 -0.06 -0.04 7.75 7.62 2o6mB1 HIS 228 H 0.09 0.15 0.13 -0.55 8.41 8.23 2o6mB1 HIS 228 HA -0.00 0.30 1.08 -0.75 4.63 5.25 2o6mB1 HIS 228 HB2 0.01 -0.03 0.17 -0.04 3.26 3.36 2o6mB1 HIS 228 HB3 -0.00 0.04 0.06 -0.04 3.20 3.25 2o6mB1 HIS 228 HD2 -0.02 0.01 -0.01 -0.04 6.97 6.91 2o6mB1 HIS 228 HE1 -0.02 -0.01 -0.07 -0.04 7.75 7.60 2o6mB1 VAL 229 H 0.06 0.50 0.30 -0.55 8.24 8.54 2o6mB1 VAL 229 HA 0.04 0.25 1.01 -0.75 4.13 4.68 2o6mB1 VAL 229 HB 0.00 0.13 0.02 -0.04 2.12 2.23 2o6mB1 VAL 229 HG13 0.01 0.01 -0.35 -0.04 0.97 0.60 2o6mB1 VAL 229 HG23 -0.01 -0.01 -0.17 -0.04 0.95 0.72 2o6mB1 PRO 230 HA -0.00 0.16 0.67 -0.51 4.44 4.76 2o6mB1 PRO 230 HB2 -0.03 -0.04 0.05 -0.04 2.28 2.22 2o6mB1 PRO 230 HB3 -0.00 0.03 0.11 -0.04 2.02 2.12 2o6mB1 PRO 230 HG2 -0.03 0.08 0.16 -0.04 2.03 2.20 2o6mB1 PRO 230 HG3 -0.02 0.10 0.07 -0.04 2.03 2.14 2o6mB1 PRO 230 HD2 -0.00 0.15 0.25 -0.04 3.68 4.03 2o6mB1 PRO 230 HD3 0.01 0.14 0.17 -0.04 3.65 3.93 2o6mB1 LEU 231 H -0.01 0.66 0.31 -0.55 8.37 8.78 2o6mB1 LEU 231 HA -0.02 0.09 0.79 -0.75 4.35 4.45 2o6mB1 LEU 231 HB2 -0.01 0.08 -0.17 -0.04 1.64 1.50 2o6mB1 LEU 231 HB3 -0.01 -0.07 -0.03 -0.04 1.64 1.49 2o6mB1 LEU 231 HG 0.01 -0.01 -0.17 -0.04 1.64 1.42 2o6mB1 LEU 231 HD13 0.01 -0.02 -0.29 -0.04 0.93 0.60 2o6mB1 LEU 231 HD23 -0.00 -0.01 -0.08 -0.04 0.89 0.76 2o6mB1 GLY 232 H -0.05 0.05 0.02 -0.55 8.43 7.91 2o6mB1 GLY 232 HA2 -0.12 0.06 0.34 -0.51 4.01 3.78 2o6mB1 GLY 232 HA3 -0.10 0.21 0.63 -0.51 4.01 4.23 2o6mB1 GLY 233 H -0.05 0.17 0.10 -0.55 8.43 8.10 2o6mB1 GLY 233 HA2 -0.01 0.02 0.35 -0.51 4.01 3.86 2o6mB1 GLY 233 HA3 -0.01 0.26 0.38 -0.51 4.01 4.12 2o6mB1 GLY 234 H -0.01 -0.00 -0.33 -0.55 8.43 7.53 2o6mB1 GLY 234 HA2 0.00 -0.01 0.25 -0.51 4.01 3.74 2o6mB1 GLY 234 HA3 0.01 0.06 0.36 -0.51 4.01 3.93 2o6mB1 LEU 235 H -0.01 0.37 -0.44 -0.55 8.37 7.75 2o6mB1 LEU 235 HA 0.00 0.17 0.84 -0.75 4.35 4.61 2o6mB1 LEU 235 HB2 -0.00 0.09 -0.04 -0.04 1.64 1.65 2o6mB1 LEU 235 HB3 0.01 -0.03 0.04 -0.04 1.64 1.61 2o6mB1 LEU 235 HG 0.00 0.20 -0.17 -0.04 1.64 1.63 2o6mB1 LEU 235 HD13 0.00 -0.01 -0.03 -0.04 0.93 0.85 2o6mB1 LEU 235 HD23 0.00 0.01 -0.00 -0.04 0.89 0.86 2o6mB1 GLN 236 H 0.01 0.25 0.20 -0.55 8.47 8.38 2o6mB1 GLN 236 HA 0.02 0.20 1.04 -0.75 4.36 4.86 2o6mB1 GLN 236 HB2 0.01 -0.02 -0.24 -0.04 2.15 1.86 2o6mB1 GLN 236 HB3 0.02 -0.03 0.02 -0.04 2.02 1.98 2o6mB1 GLN 236 HG2 0.08 0.05 -0.08 -0.04 2.40 2.40 2o6mB1 GLN 236 HG3 0.04 0.08 -0.22 -0.04 2.39 2.25 2o6mB1 GLN 236 HE21 -0.08 -0.02 -0.07 -0.04 6.97 6.76 2o6mB1 GLN 236 HE22 -0.02 0.00 -0.08 -0.04 7.69 7.54 2o6mB1 GLY 237 H 0.04 0.68 0.33 -0.55 8.43 8.94 2o6mB1 GLY 237 HA2 0.05 0.17 0.93 -0.51 4.01 4.65 2o6mB1 GLY 237 HA3 0.03 0.06 0.32 -0.51 4.01 3.91 2o6mB1 THR 238 H 0.02 0.21 0.18 -0.55 8.28 8.14 2o6mB1 THR 238 HA -0.15 0.28 1.15 -0.75 4.39 4.91 2o6mB1 THR 238 HB -0.00 -0.03 0.10 -0.04 4.32 4.34 2o6mB1 THR 238 HG23 -0.41 -0.01 -0.21 -0.04 1.22 0.55 2o6mB1 LEU 239 H -0.18 0.65 0.34 -0.55 8.37 8.64 2o6mB1 LEU 239 HA 0.03 0.17 0.95 -0.75 4.35 4.75 2o6mB1 LEU 239 HB2 -0.02 0.10 0.10 -0.04 1.64 1.78 2o6mB1 LEU 239 HB3 0.05 -0.04 -0.10 -0.04 1.64 1.52 2o6mB1 LEU 239 HG -0.29 -0.02 -0.05 -0.04 1.64 1.24 2o6mB1 LEU 239 HD13 -0.03 0.05 -0.26 -0.04 0.93 0.65 2o6mB1 LEU 239 HD23 -0.13 0.00 -0.14 -0.04 0.89 0.58 2o6mB1 HIS 240 H 0.37 0.21 0.07 -0.55 8.41 8.51 2o6mB1 HIS 240 HA 0.02 0.24 0.86 -0.75 4.63 5.00 2o6mB1 HIS 240 HB2 0.13 -0.02 0.13 -0.04 3.26 3.46 2o6mB1 HIS 240 HB3 -0.04 0.04 -0.08 -0.04 3.20 3.08 2o6mB1 HIS 240 HD2 -0.06 0.02 -0.14 -0.04 6.97 6.74 2o6mB1 HIS 240 HE1 0.01 0.03 -0.12 -0.04 7.75 7.63 2o6mB1 CYS 241 H 0.14 0.64 0.17 -0.55 8.50 8.91 2o6mB1 CYS 241 HA 0.18 0.05 0.78 -0.75 4.58 4.84 2o6mB1 CYS 241 HB2 0.28 0.08 0.07 -0.04 2.97 3.36 2o6mB1 CYS 241 HB3 0.22 -0.04 -0.07 -0.04 2.97 3.04 2o6mB1 TYR 242 H 0.32 0.02 0.15 -0.55 8.29 8.23 2o6mB1 TYR 242 HA 0.03 0.34 0.59 -0.75 4.56 4.77 2o6mB1 TYR 242 HB2 -0.07 -0.24 0.15 -0.04 3.06 2.85 2o6mB1 TYR 242 HB3 -0.07 0.25 0.00 -0.04 2.98 3.13 2o6mB1 TYR 242 HD2 -0.12 0.05 -0.05 -0.04 7.15 6.99 2o6mB1 TYR 242 HE2 -0.07 0.07 -0.03 -0.04 6.85 6.78 2o6mB1 GLU 243 H 0.04 0.58 0.04 -0.55 8.60 8.71 2o6mB1 GLU 243 HA 0.07 0.15 0.62 -0.75 4.29 4.38 2o6mB1 GLU 243 HB2 -0.02 0.02 -0.03 -0.04 2.09 2.03 2o6mB1 GLU 243 HB3 -0.00 0.04 -0.17 -0.04 1.99 1.81 2o6mB1 GLU 243 HG2 0.12 -0.10 -0.34 -0.04 2.34 1.99 2o6mB1 GLU 243 HG3 0.09 0.11 -0.22 -0.04 2.34 2.27 2o6mB1 ILE 244 H -0.28 0.54 0.21 -0.55 8.25 8.17 2o6mB1 ILE 244 HA -1.66 0.09 0.48 -0.75 4.18 2.34 2o6mB1 ILE 244 HB -1.15 0.01 0.12 -0.04 1.89 0.82 2o6mB1 ILE 244 HG12 -0.60 0.10 -0.06 -0.04 1.49 0.88 2o6mB1 ILE 244 HG13 -1.30 0.11 0.09 -0.04 1.21 0.07 2o6mB1 ILE 244 HG23 -1.19 0.02 -0.02 -0.04 0.93 -0.30 2o6mB1 ILE 244 HD13 -1.22 -0.06 -0.11 -0.04 0.88 -0.55 2o6mB1 PRO 245 HA -0.13 -0.00 0.42 -0.51 4.44 4.22 2o6mB1 PRO 245 HB2 -0.17 0.12 0.01 -0.04 2.28 2.19 2o6mB1 PRO 245 HB3 -0.15 -0.06 0.16 -0.04 2.02 1.94 2o6mB1 PRO 245 HG2 -0.26 0.11 0.19 -0.04 2.03 2.03 2o6mB1 PRO 245 HG3 -0.26 0.01 0.16 -0.04 2.03 1.91 2o6mB1 PRO 245 HD2 -0.53 0.04 0.30 -0.04 3.68 3.44 2o6mB1 PRO 245 HD3 -1.05 0.16 0.33 -0.04 3.65 3.05 2o6mB1 LEU 246 H -0.00 0.07 0.16 -0.55 8.37 8.06 2o6mB1 LEU 246 HA 0.20 0.16 0.53 -0.75 4.35 4.48 2o6mB1 LEU 246 HB2 0.04 -0.04 0.11 -0.04 1.64 1.71 2o6mB1 LEU 246 HB3 0.09 -0.02 0.03 -0.04 1.64 1.70 2o6mB1 LEU 246 HG 0.05 0.03 0.02 -0.04 1.64 1.69 2o6mB1 LEU 246 HD13 0.04 -0.01 0.01 -0.04 0.93 0.93 2o6mB1 LEU 246 HD23 0.12 0.01 0.01 -0.04 0.89 0.99 2o6mB1 ALA 247 H -0.03 0.15 -0.06 -0.55 8.40 7.91 2o6mB1 ALA 247 HA 0.12 0.16 0.79 -0.75 4.34 4.65 2o6mB1 ALA 247 HB3 -0.02 -0.00 -0.03 -0.04 1.41 1.31 2o6mB1 ALA 248 H -0.21 0.08 0.09 -0.55 8.40 7.81 2o6mB1 ALA 248 HA -1.09 -0.07 0.27 -0.75 4.34 2.70 2o6mB1 ALA 248 HB3 -0.10 -0.00 0.10 -0.04 1.41 1.36 2o6mB1 PRO 249 HA -0.24 -0.04 0.44 -0.51 4.44 4.09 2o6mB1 PRO 249 HB2 -0.04 -0.04 -0.01 -0.04 2.28 2.16 2o6mB1 PRO 249 HB3 -0.04 0.01 0.10 -0.04 2.02 2.04 2o6mB1 PRO 249 HG2 -0.09 0.08 0.10 -0.04 2.03 2.07 2o6mB1 PRO 249 HG3 -0.05 0.01 0.08 -0.04 2.03 2.03 2o6mB1 PRO 249 HD2 -0.11 0.14 0.43 -0.04 3.68 4.10 2o6mB1 PRO 249 HD3 -0.08 0.04 0.08 -0.04 3.65 3.65 2o6mB1 TYR 250 H 0.01 0.10 0.15 -0.55 8.29 8.00 2o6mB1 TYR 250 HA -0.21 0.26 0.75 -0.75 4.56 4.61 2o6mB1 TYR 250 HB2 0.06 0.04 -0.07 -0.04 3.06 3.05 2o6mB1 TYR 250 HB3 -0.32 0.04 -0.02 -0.04 2.98 2.64 2o6mB1 TYR 250 HD2 0.00 0.18 -0.14 -0.04 7.15 7.15 2o6mB1 TYR 250 HE2 0.15 0.07 -0.31 -0.04 6.85 6.73 2o6mB1 GLY 251 H 0.14 -0.05 0.03 -0.55 8.43 8.01 2o6mB1 GLY 251 HA2 0.12 0.01 0.30 -0.51 4.01 3.93 2o6mB1 GLY 251 HA3 0.23 0.30 0.72 -0.51 4.01 4.75 2o6mB1 VAL 252 H 0.17 0.17 0.13 -0.55 8.24 8.15 2o6mB1 VAL 252 HA 0.15 -0.04 0.43 -0.75 4.13 3.91 2o6mB1 VAL 252 HB 0.15 0.05 0.18 -0.04 2.12 2.45 2o6mB1 VAL 252 HG13 0.09 0.01 -0.07 -0.04 0.97 0.95 2o6mB1 VAL 252 HG23 0.08 0.00 0.10 -0.04 0.95 1.10 2o6mB1 GLY 253 H 0.13 0.08 0.25 -0.55 8.43 8.34 2o6mB1 GLY 253 HA2 -0.06 0.04 0.47 -0.51 4.01 3.95 2o6mB1 GLY 253 HA3 -0.11 0.17 0.74 -0.51 4.01 4.30 2o6mB1 PHE 254 H 0.45 0.57 -0.09 -0.55 8.34 8.72 2o6mB1 PHE 254 HA 0.27 0.36 1.14 -0.75 4.62 5.65 2o6mB1 PHE 254 HB2 0.20 0.01 -0.09 -0.04 3.15 3.22 2o6mB1 PHE 254 HB3 0.11 -0.04 -0.11 -0.04 3.06 2.97 2o6mB1 PHE 254 HD2 0.18 -0.01 -0.30 -0.04 7.28 7.11 2o6mB1 PHE 254 HE2 -0.05 0.02 -0.07 -0.04 7.38 7.23 2o6mB1 PHE 254 HZ -1.17 0.02 -0.03 -0.04 7.32 6.10 2o6mB1 ALA 255 H 0.31 0.50 0.36 -0.55 8.40 9.02 2o6mB1 ALA 255 HA 0.28 0.07 0.72 -0.75 4.34 4.65 2o6mB1 ALA 255 HB3 0.14 0.02 -0.06 -0.04 1.41 1.47 2o6mB1 LYS 256 H 0.06 0.14 0.14 -0.55 8.42 8.21 2o6mB1 LYS 256 HA -0.12 0.13 0.91 -0.75 4.32 4.49 2o6mB1 LYS 256 HB2 -0.28 0.05 0.06 -0.04 1.87 1.66 2o6mB1 LYS 256 HB3 0.02 -0.07 0.17 -0.04 1.79 1.87 2o6mB1 LYS 256 HG2 -0.15 -0.16 -0.30 -0.04 1.46 0.80 2o6mB1 LYS 256 HG3 -0.53 0.29 0.13 -0.04 1.46 1.30 2o6mB1 LYS 256 HD2 0.09 -0.11 -0.03 -0.04 1.69 1.59 2o6mB1 LYS 256 HD3 -0.06 -0.02 -0.12 -0.04 1.68 1.44 2o6mB1 LYS 256 HE2 0.12 0.10 0.02 -0.04 2.99 3.19 2o6mB1 LYS 256 HE3 0.21 -0.10 -0.05 -0.04 2.99 3.01 2o6mB1 ASN 257 H -0.16 0.32 0.19 -0.55 8.53 8.33 2o6mB1 ASN 257 HA -0.03 0.19 0.83 -0.75 4.76 5.00 2o6mB1 ASN 257 HB2 -0.01 -0.01 0.07 -0.04 2.88 2.89 2o6mB1 ASN 257 HB3 0.01 0.01 -0.09 -0.04 2.79 2.67 2o6mB1 ASN 257 HD21 0.02 -0.03 -0.15 -0.04 7.03 6.83 2o6mB1 ASN 257 HD22 0.00 0.01 -0.11 -0.04 7.74 7.60 2o6mB1 GLY 258 H -0.30 0.43 0.12 -0.55 8.43 8.13 2o6mB1 GLY 258 HA2 -0.11 0.15 0.48 -0.51 4.01 4.02 2o6mB1 GLY 258 HA3 -0.17 -0.01 0.28 -0.51 4.01 3.60 2o6mB1 PRO 259 HA -0.09 0.10 0.42 -0.51 4.44 4.36 2o6mB1 PRO 259 HB2 -0.08 -0.04 0.09 -0.04 2.28 2.22 2o6mB1 PRO 259 HB3 -0.04 0.06 0.08 -0.04 2.02 2.08 2o6mB1 PRO 259 HG2 -0.04 0.05 0.08 -0.04 2.03 2.08 2o6mB1 PRO 259 HG3 -0.04 0.06 0.09 -0.04 2.03 2.10 2o6mB1 PRO 259 HD2 -0.10 0.08 0.17 -0.04 3.68 3.79 2o6mB1 PRO 259 HD3 -0.08 0.15 0.19 -0.04 3.65 3.88 2o6mB1 THR 260 H -0.24 0.07 -0.25 -0.55 8.28 7.31 2o6mB1 THR 260 HA -0.62 0.30 0.83 -0.75 4.39 4.14 2o6mB1 THR 260 HB 0.07 -0.02 0.13 -0.04 4.32 4.45 2o6mB1 THR 260 HG23 0.04 0.00 -0.15 -0.04 1.22 1.07 2o6mB1 ARG 261 H -0.98 0.54 -0.28 -0.55 8.46 7.18 2o6mB1 ARG 261 HA -0.28 0.17 0.78 -0.75 4.34 4.26 2o6mB1 ARG 261 HB2 -0.24 -0.08 -0.09 -0.04 1.90 1.44 2o6mB1 ARG 261 HB3 -0.08 0.03 -0.02 -0.04 1.80 1.68 2o6mB1 ARG 261 HG2 -0.17 -0.15 -0.44 -0.04 1.67 0.87 2o6mB1 ARG 261 HG3 -0.07 0.02 -0.11 -0.04 1.67 1.47 2o6mB1 ARG 261 HD2 -0.00 0.33 0.11 -0.04 3.22 3.61 2o6mB1 ARG 261 HD3 0.01 -0.03 -0.04 -0.04 3.22 3.11 2o6mB1 TRP 262 H 0.34 0.23 0.23 -0.55 7.97 8.23 2o6mB1 TRP 262 HA 0.04 0.11 0.99 -0.75 4.62 5.01 2o6mB1 TRP 262 HB2 0.22 -0.04 -0.06 -0.04 3.23 3.32 2o6mB1 TRP 262 HB3 0.12 0.04 0.00 -0.04 3.23 3.36 2o6mB1 TRP 262 HD1 -0.56 -0.11 -0.23 -0.04 7.22 6.28 2o6mB1 TRP 262 HE1 -0.27 0.10 -0.11 -0.04 10.20 9.88 2o6mB1 TRP 262 HE3 0.21 -0.11 -0.15 -0.04 7.59 7.50 2o6mB1 TRP 262 HZ2 0.04 0.10 -0.05 -0.04 7.44 7.49 2o6mB1 TRP 262 HZ3 0.27 0.12 -0.29 -0.04 7.13 7.19 2o6mB1 TRP 262 HH2 0.12 -0.11 -0.23 -0.04 7.19 6.93 2o6mB1 GLN 263 H 0.33 0.67 0.42 -0.55 8.47 9.34 2o6mB1 GLN 263 HA 0.31 0.06 1.14 -0.75 4.36 5.12 2o6mB1 GLN 263 HB2 0.14 -0.01 0.04 -0.04 2.15 2.28 2o6mB1 GLN 263 HB3 0.14 0.09 -0.01 -0.04 2.02 2.20 2o6mB1 GLN 263 HG2 0.15 0.02 -0.12 -0.04 2.40 2.40 2o6mB1 GLN 263 HG3 0.13 -0.13 -0.39 -0.04 2.39 1.96 2o6mB1 GLN 263 HE21 0.02 -0.00 -0.10 -0.04 6.97 6.85 2o6mB1 GLN 263 HE22 0.06 -0.00 -0.16 -0.04 7.69 7.54 2o6mB1 TYR 264 H 0.38 0.43 0.20 -0.55 8.29 8.75 2o6mB1 TYR 264 HA -0.25 0.30 0.87 -0.75 4.56 4.73 2o6mB1 TYR 264 HB2 0.06 -0.00 -0.02 -0.04 3.06 3.06 2o6mB1 TYR 264 HB3 0.29 -0.11 0.03 -0.04 2.98 3.15 2o6mB1 TYR 264 HD2 -0.65 -0.03 -0.16 -0.04 7.15 6.26 2o6mB1 TYR 264 HE2 -0.06 0.14 -0.00 -0.04 6.85 6.89 2o6mB1 LYS 265 H -0.37 0.72 0.39 -0.55 8.42 8.61 2o6mB1 LYS 265 HA -0.12 0.27 1.22 -0.75 4.32 4.94 2o6mB1 LYS 265 HB2 -0.05 -0.04 -0.14 -0.04 1.87 1.60 2o6mB1 LYS 265 HB3 -0.08 -0.01 0.08 -0.04 1.79 1.75 2o6mB1 LYS 265 HG2 -0.08 -0.08 -0.30 -0.04 1.46 0.95 2o6mB1 LYS 265 HG3 -0.12 0.13 -0.02 -0.04 1.46 1.41 2o6mB1 LYS 265 HD2 -0.06 -0.04 -0.12 -0.04 1.69 1.43 2o6mB1 LYS 265 HD3 -0.04 0.00 -0.12 -0.04 1.68 1.48 2o6mB1 LYS 265 HE2 -0.01 0.03 -0.10 -0.04 2.99 2.87 2o6mB1 LYS 265 HE3 -0.03 -0.04 -0.11 -0.04 2.99 2.77 2o6mB1 ARG 266 H -0.09 0.67 0.35 -0.55 8.46 8.85 2o6mB1 ARG 266 HA -0.06 0.13 0.86 -0.75 4.34 4.51 2o6mB1 ARG 266 HB2 0.32 -0.01 0.01 -0.04 1.90 2.18 2o6mB1 ARG 266 HB3 0.11 -0.00 -0.07 -0.04 1.80 1.80 2o6mB1 ARG 266 HG2 -0.37 -0.02 -0.51 -0.04 1.67 0.72 2o6mB1 ARG 266 HG3 0.15 -0.01 -0.11 -0.04 1.67 1.67 2o6mB1 ARG 266 HD2 0.04 0.01 -0.05 -0.04 3.22 3.19 2o6mB1 ARG 266 HD3 0.03 -0.04 -0.00 -0.04 3.22 3.17 2o6mB1 THR 267 H 0.01 0.19 0.11 -0.55 8.28 8.04 2o6mB1 THR 267 HA 0.01 0.25 0.77 -0.75 4.39 4.67 2o6mB1 THR 267 HB 0.01 -0.01 0.13 -0.04 4.32 4.40 2o6mB1 THR 267 HG23 0.00 -0.03 -0.33 -0.04 1.22 0.82 2o6mB1 ILE 268 H 0.13 0.77 0.17 -0.55 8.25 8.77 2o6mB1 ILE 268 HA 0.06 0.14 0.97 -0.75 4.18 4.60 2o6mB1 ILE 268 HB 0.18 0.03 0.12 -0.04 1.89 2.19 2o6mB1 ILE 268 HG12 0.22 0.06 -0.20 -0.04 1.49 1.53 2o6mB1 ILE 268 HG13 0.09 0.08 -0.07 -0.04 1.21 1.26 2o6mB1 ILE 268 HG23 0.05 -0.01 -0.05 -0.04 0.93 0.88 2o6mB1 ILE 268 HD13 0.09 0.04 -0.34 -0.04 0.88 0.63 2o6mB1 ASN 269 H 0.04 0.19 0.10 -0.55 8.53 8.31 2o6mB1 ASN 269 HA 0.02 0.04 0.33 -0.75 4.76 4.40 2o6mB1 ASN 269 HB2 0.05 0.22 -0.03 -0.04 2.88 3.08 2o6mB1 ASN 269 HB3 0.03 0.02 0.23 -0.04 2.79 3.03 2o6mB1 ASN 269 HD21 0.02 -0.02 -0.02 -0.04 7.03 6.98 2o6mB1 ASN 269 HD22 0.04 0.03 -0.03 -0.04 7.74 7.73 2o6mB1 GLN 270 H 0.02 0.07 -0.25 -0.55 8.47 7.76 2o6mB1 GLN 270 HA -0.00 -0.01 0.18 -0.75 4.36 3.78 2o6mB1 GLN 270 HB2 0.00 0.26 -0.17 -0.04 2.15 2.20 2o6mB1 GLN 270 HB3 -0.01 -0.00 0.12 -0.04 2.02 2.08 2o6mB1 GLN 270 HG2 -0.00 -0.00 -0.01 -0.04 2.40 2.35 2o6mB1 GLN 270 HG3 0.00 -0.07 -0.18 -0.04 2.39 2.10 2o6mB1 GLN 270 HE21 -0.00 0.00 -0.01 -0.04 6.97 6.91 2o6mB1 GLN 270 HE22 -0.00 -0.01 -0.01 -0.04 7.69 7.63 2o6mB1 VAL 271 H 0.01 0.39 -0.83 -0.55 8.24 7.27 2o6mB1 VAL 271 HA -0.07 0.15 0.94 -0.75 4.13 4.39 2o6mB1 VAL 271 HB -0.04 0.02 0.00 -0.04 2.12 2.05 2o6mB1 VAL 271 HG13 0.06 0.08 0.07 -0.04 0.97 1.14 2o6mB1 VAL 271 HG23 -0.25 0.01 -0.10 -0.04 0.95 0.57 2o6mB1 VAL 272 H -0.14 0.15 0.12 -0.55 8.24 7.82 2o6mB1 VAL 272 HA -0.10 0.14 0.75 -0.75 4.13 4.17 2o6mB1 VAL 272 HB -0.13 0.06 -0.08 -0.04 2.12 1.93 2o6mB1 VAL 272 HG13 -0.06 -0.00 -0.08 -0.04 0.97 0.78 2o6mB1 VAL 272 HG23 -0.13 -0.01 0.05 -0.04 0.95 0.82 2o6mB1 HIS 273 H -0.10 0.76 0.46 -0.55 8.41 8.98 2o6mB1 HIS 273 HA -0.43 0.14 0.87 -0.75 4.63 4.45 2o6mB1 HIS 273 HB2 -0.29 0.01 0.15 -0.04 3.26 3.09 2o6mB1 HIS 273 HB3 -1.17 0.01 0.02 -0.04 3.20 2.01 2o6mB1 HIS 273 HD2 -0.01 0.01 -0.01 -0.04 6.97 6.91 2o6mB1 HIS 273 HE1 -0.00 -0.01 -0.09 -0.04 7.75 7.61 2o6mB1 ARG 274 H -0.75 0.25 0.17 -0.55 8.46 7.57 2o6mB1 ARG 274 HA -0.38 0.35 0.96 -0.75 4.34 4.51 2o6mB1 ARG 274 HB2 -0.20 -0.00 -0.25 -0.04 1.90 1.42 2o6mB1 ARG 274 HB3 -0.21 -0.04 0.00 -0.04 1.80 1.51 2o6mB1 ARG 274 HG2 -0.02 -0.04 -0.24 -0.04 1.67 1.32 2o6mB1 ARG 274 HG3 -0.00 0.14 -0.11 -0.04 1.67 1.66 2o6mB1 ARG 274 HD2 0.02 -0.03 -0.14 -0.04 3.22 3.03 2o6mB1 ARG 274 HD3 -0.03 -0.00 -0.15 -0.04 3.22 2.99 2o6mB1 TRP 275 H 0.35 0.55 0.30 -0.55 7.97 8.63 2o6mB1 TRP 275 HA 0.08 0.20 0.94 -0.75 4.62 5.08 2o6mB1 TRP 275 HB2 0.07 0.00 -0.06 -0.04 3.23 3.20 2o6mB1 TRP 275 HB3 0.05 -0.04 0.08 -0.04 3.23 3.27 2o6mB1 TRP 275 HD1 0.02 0.01 -0.04 -0.04 7.22 7.18 2o6mB1 TRP 275 HE1 -0.01 0.07 -0.05 -0.04 10.20 10.17 2o6mB1 TRP 275 HE3 0.12 0.10 -0.09 -0.04 7.59 7.67 2o6mB1 TRP 275 HZ2 -0.15 0.07 -0.05 -0.04 7.44 7.28 2o6mB1 TRP 275 HZ3 -0.06 -0.02 -0.20 -0.04 7.13 6.81 2o6mB1 TRP 275 HH2 -0.04 -0.00 -0.08 -0.04 7.19 7.03 2o6mB1 GLY 276 H 0.35 0.15 0.18 -0.55 8.43 8.56 2o6mB1 GLY 276 HA2 0.27 0.19 0.71 -0.51 4.01 4.67 2o6mB1 GLY 276 HA3 0.29 0.03 0.43 -0.51 4.01 4.24 2o6mB1 SER 277 H 0.39 0.70 0.36 -0.55 8.46 9.36 2o6mB1 SER 277 HA 0.50 0.01 0.19 -0.75 4.49 4.43 2o6mB1 SER 277 HB2 0.73 0.08 -0.09 -0.04 3.95 4.63 2o6mB1 SER 277 HB3 0.63 -0.09 -0.40 -0.04 3.93 4.02 2o6mB1 HIS 278 H 0.36 0.02 -0.34 -0.55 8.41 7.91 2o6mB1 HIS 278 HA 0.33 0.26 0.75 -0.75 4.63 5.21 2o6mB1 HIS 278 HB2 0.24 -0.07 0.01 -0.04 3.26 3.40 2o6mB1 HIS 278 HB3 0.21 -0.00 0.04 -0.04 3.20 3.39 2o6mB1 HIS 278 HD2 -0.09 -0.05 -0.01 -0.04 6.97 6.79 2o6mB1 HIS 278 HE1 0.31 0.06 0.03 -0.04 7.75 8.09 2o6mB1 THR 279 H 0.21 0.61 -0.09 -0.55 8.28 8.46 2o6mB1 THR 279 HA 0.23 0.14 0.57 -0.75 4.39 4.57 2o6mB1 THR 279 HB 0.11 0.03 0.04 -0.04 4.32 4.45 2o6mB1 THR 279 HG23 0.44 -0.04 0.05 -0.04 1.22 1.63 2o6mB1 VAL 280 H -0.47 0.21 -0.26 -0.55 8.24 7.18 2o6mB1 VAL 280 HA -0.76 0.00 0.22 -0.75 4.13 2.84 2o6mB1 VAL 280 HB -2.39 0.11 -0.02 -0.04 2.12 -0.21 2o6mB1 VAL 280 HG13 -0.80 -0.01 -0.18 -0.04 0.97 -0.06 2o6mB1 VAL 280 HG23 -0.48 0.01 -0.07 -0.04 0.95 0.36 2o6mB1 PRO 281 HA -0.69 0.03 0.37 -0.51 4.44 3.64 2o6mB1 PRO 281 HB2 -1.58 0.06 -0.09 -0.04 2.28 0.62 2o6mB1 PRO 281 HB3 -0.70 0.00 0.06 -0.04 2.02 1.35 2o6mB1 PRO 281 HG2 -0.64 0.10 -0.02 -0.04 2.03 1.42 2o6mB1 PRO 281 HG3 -1.29 0.01 0.00 -0.04 2.03 0.71 2o6mB1 PRO 281 HD2 -0.77 0.29 -0.42 -0.04 3.68 2.74 2o6mB1 PRO 281 HD3 -1.70 0.05 -0.13 -0.04 3.65 1.83 2o6mB1 PHE 282 H -0.75 0.49 -0.49 -0.55 8.34 7.05 2o6mB1 PHE 282 HA -0.44 0.14 0.82 -0.75 4.62 4.38 2o6mB1 PHE 282 HB2 -1.61 0.10 -0.01 -0.04 3.15 1.59 2o6mB1 PHE 282 HB3 -1.25 -0.05 0.09 -0.04 3.06 1.80 2o6mB1 PHE 282 HD2 -0.28 0.02 -0.10 -0.04 7.28 6.88 2o6mB1 PHE 282 HE2 0.10 0.04 -0.14 -0.04 7.38 7.34 2o6mB1 PHE 282 HZ 0.08 0.09 -0.63 -0.04 7.32 6.82 2o6mB1 LEU 283 H -0.47 0.45 -0.26 -0.55 8.37 7.55 2o6mB1 LEU 283 HA -0.31 0.07 0.31 -0.75 4.35 3.67 2o6mB1 LEU 283 HB2 -0.45 0.15 0.10 -0.04 1.64 1.40 2o6mB1 LEU 283 HB3 -0.30 -0.04 -0.07 -0.04 1.64 1.20 2o6mB1 LEU 283 HG -0.40 -0.00 0.01 -0.04 1.64 1.20 2o6mB1 LEU 283 HD13 -0.58 0.01 -0.12 -0.04 0.93 0.20 2o6mB1 LEU 283 HD23 -1.14 0.01 -0.01 -0.04 0.89 -0.29 2o6mB1 LEU 284 H -0.21 0.07 -0.38 -0.55 8.37 7.30 2o6mB1 LEU 284 HA -0.09 0.17 0.70 -0.75 4.35 4.38 2o6mB1 LEU 284 HB2 -0.11 0.02 -0.01 -0.04 1.64 1.49 2o6mB1 LEU 284 HB3 -0.07 -0.03 0.05 -0.04 1.64 1.55 2o6mB1 LEU 284 HG -0.09 -0.03 -0.03 -0.04 1.64 1.45 2o6mB1 LEU 284 HD13 -0.07 0.01 -0.06 -0.04 0.93 0.77 2o6mB1 LEU 284 HD23 -0.17 -0.02 -0.18 -0.04 0.89 0.48 2o6mB1 GLU 285 H -0.19 0.28 -0.25 -0.55 8.60 7.89 2o6mB1 GLU 285 HA -0.03 0.06 0.54 -0.75 4.29 4.11 2o6mB1 GLU 285 HB2 -0.34 0.11 0.02 -0.04 2.09 1.84 2o6mB1 GLU 285 HB3 0.01 0.01 0.11 -0.04 1.99 2.08 2o6mB1 GLU 285 HG2 -0.09 -0.12 0.01 -0.04 2.34 2.10 2o6mB1 GLU 285 HG3 0.00 -0.01 0.03 -0.04 2.34 2.32 2o6mB1 PRO 286 HA 0.07 0.03 0.48 -0.51 4.44 4.50 2o6mB1 PRO 286 HB2 0.11 0.07 0.13 -0.04 2.28 2.55 2o6mB1 PRO 286 HB3 0.07 -0.01 0.16 -0.04 2.02 2.20 2o6mB1 PRO 286 HG2 0.05 0.01 0.13 -0.04 2.03 2.17 2o6mB1 PRO 286 HG3 0.04 0.05 0.12 -0.04 2.03 2.19 2o6mB1 PRO 286 HD2 0.09 0.08 0.22 -0.04 3.68 4.02 2o6mB1 PRO 286 HD3 0.03 0.14 0.24 -0.04 3.65 4.02 2o6mB1 ASP 287 H 0.12 0.11 0.17 -0.55 8.40 8.25 2o6mB1 ASP 287 HA 0.52 0.22 0.57 -0.75 4.63 5.18 2o6mB1 ASP 287 HB2 0.25 -0.03 0.19 -0.04 2.71 3.08 2o6mB1 ASP 287 HB3 0.18 0.12 0.09 -0.04 2.70 3.05 2o6mB1 ASN 288 H 0.13 0.21 -0.40 -0.55 8.53 7.91 2o6mB1 ASN 288 HA 0.00 0.19 0.62 -0.75 4.76 4.82 2o6mB1 ASN 288 HB2 0.01 -0.02 -0.25 -0.04 2.88 2.58 2o6mB1 ASN 288 HB3 0.05 0.07 -0.39 -0.04 2.79 2.48 2o6mB1 ASN 288 HD21 0.04 0.02 -0.08 -0.04 7.03 6.97 2o6mB1 ASN 288 HD22 0.06 -0.02 -0.18 -0.04 7.74 7.57 2o6mB1 ILE 289 H -0.03 0.74 0.20 -0.55 8.25 8.61 2o6mB1 ILE 289 HA 0.01 0.14 0.78 -0.75 4.18 4.35 2o6mB1 ILE 289 HB -0.01 0.12 -0.13 -0.04 1.89 1.83 2o6mB1 ILE 289 HG12 -0.02 0.00 -0.01 -0.04 1.49 1.43 2o6mB1 ILE 289 HG13 -0.01 -0.01 -0.19 -0.04 1.21 0.96 2o6mB1 ILE 289 HG23 -0.07 0.00 -0.04 -0.04 0.93 0.78 2o6mB1 ILE 289 HD13 0.01 -0.02 0.10 -0.04 0.88 0.93 2o6mB1 ASN 290 H 0.00 0.21 0.12 -0.55 8.53 8.32 2o6mB1 ASN 290 HA -0.00 0.06 0.34 -0.75 4.76 4.40 2o6mB1 ASN 290 HB2 -0.01 0.12 -0.09 -0.04 2.88 2.85 2o6mB1 ASN 290 HB3 -0.01 0.04 0.19 -0.04 2.79 2.97 2o6mB1 ASN 290 HD21 -0.00 0.03 -0.02 -0.04 7.03 7.00 2o6mB1 ASN 290 HD22 -0.01 0.01 -0.04 -0.04 7.74 7.66 2o6mB1 GLY 291 H 0.00 0.02 -0.41 -0.55 8.43 7.50 2o6mB1 GLY 291 HA2 0.00 -0.01 0.18 -0.51 4.01 3.68 2o6mB1 GLY 291 HA3 -0.00 0.10 0.38 -0.51 4.01 3.99 2o6mB1 LYS 292 H -0.02 0.54 -0.30 -0.55 8.42 8.09 2o6mB1 LYS 292 HA -0.02 0.17 0.97 -0.75 4.32 4.68 2o6mB1 LYS 292 HB2 -0.05 0.06 0.10 -0.04 1.87 1.94 2o6mB1 LYS 292 HB3 -0.05 -0.09 0.07 -0.04 1.79 1.67 2o6mB1 LYS 292 HG2 -0.02 0.00 -0.01 -0.04 1.46 1.39 2o6mB1 LYS 292 HG3 -0.02 0.18 -0.20 -0.04 1.46 1.38 2o6mB1 LYS 292 HD2 -0.03 -0.02 0.01 -0.04 1.69 1.60 2o6mB1 LYS 292 HD3 -0.03 -0.13 0.02 -0.04 1.68 1.50 2o6mB1 LYS 292 HE2 -0.02 0.10 0.01 -0.04 2.99 3.04 2o6mB1 LYS 292 HE3 -0.02 -0.05 0.00 -0.04 2.99 2.88 2o6mB1 THR 293 H -0.04 0.12 0.15 -0.55 8.28 7.96 2o6mB1 THR 293 HA -0.03 0.17 0.53 -0.75 4.39 4.31 2o6mB1 THR 293 HB -0.06 -0.11 0.11 -0.04 4.32 4.22 2o6mB1 THR 293 HG23 -0.02 0.09 -0.01 -0.04 1.22 1.24 2o6mB1 CYS 294 H -0.10 0.56 0.15 -0.55 8.50 8.57 2o6mB1 CYS 294 HA -0.58 0.00 0.27 -0.75 4.58 3.52 2o6mB1 CYS 294 HB2 -0.06 0.05 -0.09 -0.04 2.97 2.83 2o6mB1 CYS 294 HB3 -2.58 -0.02 -0.20 -0.04 2.97 0.12 2o6mB1 THR 295 H -0.92 0.72 0.29 -0.55 8.28 7.81 2o6mB1 THR 295 HA -0.73 0.17 0.87 -0.75 4.39 3.94 2o6mB1 THR 295 HB -0.16 0.00 -0.00 -0.04 4.32 4.12 2o6mB1 THR 295 HG23 -0.20 0.02 -0.25 -0.04 1.22 0.75 2o6mB1 ALA 296 H 0.08 0.10 0.08 -0.55 8.40 8.11 2o6mB1 ALA 296 HA 0.42 0.22 0.57 -0.75 4.34 4.79 2o6mB1 ALA 296 HB3 0.42 0.01 -0.04 -0.04 1.41 1.76 2o6mB1 SER 297 H 0.02 0.77 0.41 -0.55 8.46 9.11 2o6mB1 SER 297 HA -0.06 0.06 0.68 -0.75 4.49 4.41 2o6mB1 SER 297 HB2 -0.11 -0.01 -0.07 -0.04 3.95 3.71 2o6mB1 SER 297 HB3 -0.06 -0.06 0.04 -0.04 3.93 3.81 2o6mB1 GLN 298 H -0.10 0.17 0.08 -0.55 8.47 8.08 2o6mB1 GLN 298 HA -0.06 0.27 0.70 -0.75 4.36 4.51 2o6mB1 GLN 298 HB2 -0.20 0.10 0.01 -0.04 2.15 2.01 2o6mB1 GLN 298 HB3 -0.14 -0.04 0.16 -0.04 2.02 1.96 2o6mB1 GLN 298 HG2 -0.08 -0.28 -0.17 -0.04 2.40 1.83 2o6mB1 GLN 298 HG3 -0.08 -0.11 -0.19 -0.04 2.39 1.97 2o6mB1 GLN 298 HE21 0.05 0.20 -0.26 -0.04 6.97 6.91 2o6mB1 GLN 298 HE22 0.07 -0.04 -0.14 -0.04 7.69 7.54 2o6mB1 LEU 299 H -0.06 0.57 0.26 -0.55 8.37 8.60 2o6mB1 LEU 299 HA -0.27 0.03 0.30 -0.75 4.35 3.67 2o6mB1 LEU 299 HB2 -0.03 0.15 -0.03 -0.04 1.64 1.68 2o6mB1 LEU 299 HB3 -0.10 -0.06 -0.04 -0.04 1.64 1.40 2o6mB1 LEU 299 HG -0.06 -0.12 0.03 -0.04 1.64 1.44 2o6mB1 LEU 299 HD13 -0.10 0.02 -0.16 -0.04 0.93 0.65 2o6mB1 LEU 299 HD23 0.02 0.03 -0.24 -0.04 0.89 0.65 2o6mB1 CYS 300 H -0.11 0.15 -0.26 -0.55 8.50 7.73 2o6mB1 CYS 300 HA -0.12 0.20 0.55 -0.75 4.58 4.46 2o6mB1 CYS 300 HB2 -0.07 0.03 0.01 -0.04 2.97 2.90 2o6mB1 CYS 300 HB3 -0.36 -0.00 -0.03 -0.04 2.97 2.54 2o6mB1 HIS 301 H -0.37 0.41 -0.40 -0.55 8.41 7.50 2o6mB1 HIS 301 HA -0.05 -0.01 0.26 -0.75 4.63 4.07 2o6mB1 HIS 301 HB2 -0.08 0.18 -0.14 -0.04 3.26 3.18 2o6mB1 HIS 301 HB3 -0.08 -0.07 0.18 -0.04 3.20 3.19 2o6mB1 HIS 301 HD2 -0.10 -0.08 0.01 -0.04 6.97 6.75 2o6mB1 HIS 301 HE1 -0.08 0.03 -0.10 -0.04 7.75 7.56 2o6mB1 ASN 302 H -0.01 0.07 -0.44 -0.55 8.53 7.61 2o6mB1 ASN 302 HA 0.02 0.13 0.69 -0.75 4.76 4.85 2o6mB1 ASN 302 HB2 -0.10 0.22 -0.19 -0.04 2.88 2.77 2o6mB1 ASN 302 HB3 0.03 -0.07 -0.04 -0.04 2.79 2.66 2o6mB1 ASN 302 HD21 0.11 0.03 -0.10 -0.04 7.03 7.02 2o6mB1 ASN 302 HD22 0.03 0.01 -0.08 -0.04 7.74 7.67 2o6mB1 THR 303 H 0.09 0.20 -0.03 -0.55 8.28 7.99 2o6mB1 THR 303 HA 0.13 0.05 0.29 -0.75 4.39 4.10 2o6mB1 THR 303 HB 0.34 0.11 0.07 -0.04 4.32 4.80 2o6mB1 THR 303 HG23 0.10 -0.00 0.05 -0.04 1.22 1.32 2o6mB1 ARG 304 H 0.22 0.03 -0.22 -0.55 8.46 7.94 2o6mB1 ARG 304 HA -0.13 0.07 0.34 -0.75 4.34 3.87 2o6mB1 ARG 304 HB2 0.10 -0.06 -0.03 -0.04 1.90 1.88 2o6mB1 ARG 304 HB3 -0.04 0.07 0.01 -0.04 1.80 1.80 2o6mB1 ARG 304 HG2 0.29 0.09 -0.02 -0.04 1.67 1.99 2o6mB1 ARG 304 HG3 0.35 -0.11 -0.00 -0.04 1.67 1.87 2o6mB1 ARG 304 HD2 0.19 -0.02 -0.03 -0.04 3.22 3.32 2o6mB1 ARG 304 HD3 0.12 -0.07 -0.04 -0.04 3.22 3.19 2o6mB1 CYS 305 H 0.14 0.46 -0.33 -0.55 8.50 8.21 2o6mB1 CYS 305 HA 0.19 0.13 0.28 -0.75 4.58 4.43 2o6mB1 CYS 305 HB2 0.17 -0.05 -0.02 -0.04 2.97 3.03 2o6mB1 CYS 305 HB3 0.14 0.15 0.05 -0.04 2.97 3.28 2o6mB1 HIS 306 H 0.26 0.52 0.32 -0.55 8.41 8.96 2o6mB1 HIS 306 HA 0.37 0.18 0.76 -0.75 4.63 5.19 2o6mB1 HIS 306 HB2 -0.09 0.09 0.08 -0.04 3.26 3.30 2o6mB1 HIS 306 HB3 -0.13 -0.06 0.14 -0.04 3.20 3.11 2o6mB1 HIS 306 HD2 0.23 0.10 -0.18 -0.04 6.97 7.09 2o6mB1 HIS 306 HE1 -1.10 -0.04 -0.10 -0.04 7.75 6.46 2o6mB1 ASN 307 H 0.08 -0.01 0.05 -0.55 8.53 8.11 2o6mB1 ASN 307 HA -0.26 0.18 0.48 -0.75 4.76 4.41 2o6mB1 ASN 307 HB2 -0.08 -0.10 0.24 -0.04 2.88 2.89 2o6mB1 ASN 307 HB3 -0.47 -0.04 0.15 -0.04 2.79 2.39 2o6mB1 ASN 307 HD21 -0.11 -0.03 0.03 -0.04 7.03 6.88 2o6mB1 ASN 307 HD22 -0.17 0.41 0.18 -0.04 7.74 8.12 2o6mB1 PRO 308 HA 0.08 0.10 0.38 -0.51 4.44 4.50 2o6mB1 PRO 308 HB2 -0.06 0.03 0.03 -0.04 2.28 2.24 2o6mB1 PRO 308 HB3 0.09 0.05 0.12 -0.04 2.02 2.24 2o6mB1 PRO 308 HG2 -0.06 -0.02 0.06 -0.04 2.03 1.97 2o6mB1 PRO 308 HG3 0.03 0.05 0.08 -0.04 2.03 2.15 2o6mB1 PRO 308 HD2 -0.24 0.05 0.26 -0.04 3.68 3.71 2o6mB1 PRO 308 HD3 0.08 0.29 0.28 -0.04 3.65 4.26 2o6mB1 LEU 309 H -0.07 0.09 -0.39 -0.55 8.37 7.45 2o6mB1 LEU 309 HA 0.06 0.15 0.52 -0.75 4.35 4.33 2o6mB1 LEU 309 HB2 0.00 0.01 -0.00 -0.04 1.64 1.61 2o6mB1 LEU 309 HB3 0.09 0.03 0.12 -0.04 1.64 1.84 2o6mB1 LEU 309 HG -0.07 -0.04 0.01 -0.04 1.64 1.50 2o6mB1 LEU 309 HD13 -0.01 0.01 0.01 -0.04 0.93 0.89 2o6mB1 LEU 309 HD23 0.00 0.01 -0.04 -0.04 0.89 0.82 2o6mB1 HIS 310 H 0.13 0.59 -0.52 -0.55 8.41 8.06 2o6mB1 HIS 310 HA 0.04 0.19 0.83 -0.75 4.63 4.94 2o6mB1 HIS 310 HB2 0.07 0.17 0.01 -0.04 3.26 3.47 2o6mB1 HIS 310 HB3 0.02 -0.23 0.12 -0.04 3.20 3.07 2o6mB1 HIS 310 HD2 0.06 0.18 -0.62 -0.04 6.97 6.54 2o6mB1 HIS 310 HE1 0.13 -0.10 -0.56 -0.04 7.75 7.17 2o6mB1 LEU 311 H 0.16 0.44 -0.22 -0.55 8.37 8.20 2o6mB1 LEU 311 HA 0.13 0.22 1.08 -0.75 4.35 5.03 2o6mB1 LEU 311 HB2 0.22 0.04 0.01 -0.04 1.64 1.87 2o6mB1 LEU 311 HB3 0.40 -0.00 -0.02 -0.04 1.64 1.98 2o6mB1 LEU 311 HG 0.17 -0.00 -0.47 -0.04 1.64 1.30 2o6mB1 LEU 311 HD13 0.26 0.02 -0.14 -0.04 0.93 1.04 2o6mB1 LEU 311 HD23 0.02 0.00 -0.21 -0.04 0.89 0.66 2o6mB1 CYS 312 H 0.15 0.47 0.36 -0.55 8.50 8.93 2o6mB1 CYS 312 HA 0.19 0.17 0.66 -0.75 4.58 4.85 2o6mB1 CYS 312 HB2 0.01 -0.06 0.08 -0.04 2.97 2.95 2o6mB1 CYS 312 HB3 0.06 0.11 -0.15 -0.04 2.97 2.94 2o6mB1 TRP 313 H -0.17 0.21 0.08 -0.55 7.97 7.54 2o6mB1 TRP 313 HA -0.53 0.28 0.89 -0.75 4.62 4.50 2o6mB1 TRP 313 HB2 -2.16 0.01 -0.07 -0.04 3.23 0.96 2o6mB1 TRP 313 HB3 -0.54 -0.01 0.16 -0.04 3.23 2.79 2o6mB1 TRP 313 HD1 -0.16 -0.02 -0.08 -0.04 7.22 6.92 2o6mB1 TRP 313 HE1 -0.04 0.16 -0.05 -0.04 10.20 10.22 2o6mB1 TRP 313 HE3 -0.40 0.06 -0.25 -0.04 7.59 6.96 2o6mB1 TRP 313 HZ2 0.03 0.01 -0.08 -0.04 7.44 7.36 2o6mB1 TRP 313 HZ3 0.15 -0.10 -0.14 -0.04 7.13 7.00 2o6mB1 TRP 313 HH2 0.08 -0.06 -0.06 -0.04 7.19 7.12 2o6mB1 GLU 314 H -0.49 0.59 0.26 -0.55 8.60 8.41 2o6mB1 GLU 314 HA -0.26 0.15 0.61 -0.75 4.29 4.04 2o6mB1 GLU 314 HB2 -0.11 -0.15 0.11 -0.04 2.09 1.90 2o6mB1 GLU 314 HB3 -0.11 0.10 -0.14 -0.04 1.99 1.81 2o6mB1 GLU 314 HG2 -0.16 -0.00 -0.23 -0.04 2.34 1.91 2o6mB1 GLU 314 HG3 -0.14 0.06 -0.25 -0.04 2.34 1.96 2o6mB1 SER 315 H -0.14 0.10 0.13 -0.55 8.46 8.00 2o6mB1 SER 315 HA -0.19 0.42 0.45 -0.75 4.49 4.41 2o6mB1 SER 315 HB2 -0.07 0.02 0.11 -0.04 3.95 3.96 2o6mB1 SER 315 HB3 -0.09 0.12 0.10 -0.04 3.93 4.02 2o6mB1 LEU 316 H -0.11 0.29 0.19 -0.55 8.37 8.19 2o6mB1 LEU 316 HA -0.08 0.12 0.36 -0.75 4.35 4.00 2o6mB1 LEU 316 HB2 -0.07 0.09 0.13 -0.04 1.64 1.75 2o6mB1 LEU 316 HB3 -0.04 -0.03 0.10 -0.04 1.64 1.63 2o6mB1 LEU 316 HG -0.00 -0.03 -0.09 -0.04 1.64 1.48 2o6mB1 LEU 316 HD13 -0.02 0.01 0.04 -0.04 0.93 0.91 2o6mB1 LEU 316 HD23 -0.01 0.01 -0.00 -0.04 0.89 0.85 2o6mB1 ASP 317 H -0.04 0.07 -0.24 -0.55 8.40 7.65 2o6mB1 ASP 317 HA 0.02 0.11 0.41 -0.75 4.63 4.42 2o6mB1 ASP 317 HB2 -0.02 -0.06 0.06 -0.04 2.71 2.66 2o6mB1 ASP 317 HB3 0.00 0.07 -0.09 -0.04 2.70 2.64 2o6mB1 ASP 318 H -0.02 0.06 -0.23 -0.55 8.40 7.67 2o6mB1 ASP 318 HA 0.08 0.07 0.39 -0.75 4.63 4.41 2o6mB1 ASP 318 HB2 -0.04 0.02 0.05 -0.04 2.71 2.70 2o6mB1 ASP 318 HB3 0.02 0.05 -0.05 -0.04 2.70 2.68 2o6mB1 ASN 319 H -0.04 0.48 -0.34 -0.55 8.53 8.09 2o6mB1 ASN 319 HA -0.05 0.01 0.25 -0.75 4.76 4.21 2o6mB1 ASN 319 HB2 -0.09 0.06 -0.09 -0.04 2.88 2.72 2o6mB1 ASN 319 HB3 -0.03 0.14 0.16 -0.04 2.79 3.02 2o6mB1 ASN 319 HD21 -0.05 0.12 -0.05 -0.04 7.03 7.02 2o6mB1 ASN 319 HD22 -0.10 -0.03 -0.32 -0.04 7.74 7.25 2o6mB1 LYS 320 H 0.05 0.63 -0.02 -0.55 8.42 8.53 2o6mB1 LYS 320 HA 0.13 0.02 0.36 -0.75 4.32 4.08 2o6mB1 LYS 320 HB2 0.14 0.04 0.14 -0.04 1.87 2.16 2o6mB1 LYS 320 HB3 0.32 -0.03 -0.01 -0.04 1.79 2.03 2o6mB1 LYS 320 HG2 0.11 -0.02 0.04 -0.04 1.46 1.55 2o6mB1 LYS 320 HG3 0.06 0.11 0.10 -0.04 1.46 1.68 2o6mB1 LYS 320 HD2 0.06 -0.04 -0.06 -0.04 1.69 1.62 2o6mB1 LYS 320 HD3 0.12 -0.00 -0.02 -0.04 1.68 1.74 2o6mB1 LYS 320 HE2 0.06 0.01 -0.01 -0.04 2.99 3.01 2o6mB1 LYS 320 HE3 0.03 -0.02 -0.03 -0.04 2.99 2.93 2o6mB1 GLY 321 H 0.17 0.51 -0.23 -0.55 8.43 8.33 2o6mB1 GLY 321 HA2 0.42 -0.02 0.31 -0.51 4.01 4.20 2o6mB1 GLY 321 HA3 0.24 0.05 0.27 -0.51 4.01 4.06 2o6mB1 ARG 322 H 0.12 0.51 -0.44 -0.55 8.46 8.09 2o6mB1 ARG 322 HA 0.13 -0.05 0.46 -0.75 4.34 4.13 2o6mB1 ARG 322 HB2 0.03 0.20 0.07 -0.04 1.90 2.15 2o6mB1 ARG 322 HB3 0.04 -0.01 0.07 -0.04 1.80 1.86 2o6mB1 ARG 322 HG2 -0.55 -0.11 0.01 -0.04 1.67 0.98 2o6mB1 ARG 322 HG3 -0.21 0.19 0.03 -0.04 1.67 1.64 2o6mB1 ARG 322 HD2 -0.15 0.02 -0.11 -0.04 3.22 2.94 2o6mB1 ARG 322 HD3 -0.19 -0.03 -0.07 -0.04 3.22 2.89 2o6mB1 ASN 323 H 0.09 0.66 -0.20 -0.55 8.53 8.53 2o6mB1 ASN 323 HA -0.39 0.05 0.46 -0.75 4.76 4.12 2o6mB1 ASN 323 HB2 -1.35 0.10 0.07 -0.04 2.88 1.67 2o6mB1 ASN 323 HB3 -1.27 -0.09 0.02 -0.04 2.79 1.42 2o6mB1 ASN 323 HD21 -0.14 -0.05 0.03 -0.04 7.03 6.83 2o6mB1 ASN 323 HD22 -0.55 -0.03 0.02 -0.04 7.74 7.14 2o6mB1 TRP 324 H 0.41 0.41 -0.35 -0.55 7.97 7.89 2o6mB1 TRP 324 HA 0.09 0.16 0.71 -0.75 4.62 4.83 2o6mB1 TRP 324 HB2 0.06 0.05 0.01 -0.04 3.23 3.31 2o6mB1 TRP 324 HB3 0.06 -0.02 0.08 -0.04 3.23 3.31 2o6mB1 TRP 324 HD1 -0.01 0.12 -0.14 -0.04 7.22 7.15 2o6mB1 TRP 324 HE1 -0.01 0.00 -0.06 -0.04 10.20 10.08 2o6mB1 TRP 324 HE3 0.04 0.09 -0.04 -0.04 7.59 7.64 2o6mB1 TRP 324 HZ2 -0.00 -0.01 -0.05 -0.04 7.44 7.33 2o6mB1 TRP 324 HZ3 0.02 -0.01 -0.25 -0.04 7.13 6.85 2o6mB1 TRP 324 HH2 0.01 -0.04 -0.05 -0.04 7.19 7.07 2o6mB1 CYS 325 H 0.18 0.32 -0.18 -0.55 8.50 8.27 2o6mB1 CYS 325 HA 0.21 0.12 0.53 -0.75 4.58 4.69 2o6mB1 CYS 325 HB2 0.30 0.03 0.14 -0.04 2.97 3.40 2o6mB1 CYS 325 HB3 0.13 0.11 0.19 -0.04 2.97 3.35 2o6mB1 PRO 326 HA -0.91 0.10 0.42 -0.51 4.44 3.54 2o6mB1 PRO 326 HB2 -0.18 0.05 -0.07 -0.04 2.28 2.04 2o6mB1 PRO 326 HB3 -0.10 0.03 0.10 -0.04 2.02 2.01 2o6mB1 PRO 326 HG2 -0.00 -0.12 -0.36 -0.04 2.03 1.51 2o6mB1 PRO 326 HG3 0.05 0.12 -0.08 -0.04 2.03 2.08 2o6mB1 PRO 326 HD2 0.11 -0.01 0.19 -0.04 3.68 3.92 2o6mB1 PRO 326 HD3 0.20 0.23 0.19 -0.04 3.65 4.23 2o6mB1 GLY 327 H -0.01 -0.01 -0.42 -0.55 8.43 7.43 2o6mB1 GLY 327 HA2 -0.01 0.17 -0.06 -0.51 4.01 3.60 2o6mB1 GLY 327 HA3 -0.07 0.30 0.55 -0.51 4.01 4.27 2o6mB1 PRO 328 HA 0.02 -0.00 0.40 -0.51 4.44 4.34 2o6mB1 PRO 328 HB2 0.01 0.00 -0.03 -0.04 2.28 2.22 2o6mB1 PRO 328 HB3 0.01 0.24 0.08 -0.04 2.02 2.31 2o6mB1 PRO 328 HG2 -0.01 0.02 -0.03 -0.04 2.03 1.97 2o6mB1 PRO 328 HG3 -0.00 0.17 -0.28 -0.04 2.03 1.87 2o6mB1 PRO 328 HD2 -0.02 0.07 -0.09 -0.04 3.68 3.60 2o6mB1 PRO 328 HD3 0.00 0.08 -0.28 -0.04 3.65 3.41 2o6mB1 ASN 329 H -0.02 0.71 -0.36 -0.55 8.53 8.31 2o6mB1 ASN 329 HA -0.00 0.20 0.86 -0.75 4.76 5.06 2o6mB1 ASN 329 HB2 -0.02 0.11 -0.39 -0.04 2.88 2.54 2o6mB1 ASN 329 HB3 -0.01 -0.03 -0.05 -0.04 2.79 2.67 2o6mB1 ASN 329 HD21 0.01 -0.02 -0.07 -0.04 7.03 6.90 2o6mB1 ASN 329 HD22 0.00 -0.02 -0.02 -0.04 7.74 7.66 2o6mB1 GLY 330 H -0.04 0.50 -0.26 -0.55 8.43 8.09 2o6mB1 GLY 330 HA2 -0.04 0.16 0.86 -0.51 4.01 4.48 2o6mB1 GLY 330 HA3 -0.10 0.03 0.22 -0.51 4.01 3.65 2o6mB1 GLY 331 H -0.01 0.13 -0.13 -0.55 8.43 7.87 2o6mB1 GLY 331 HA2 0.00 0.04 0.17 -0.51 4.01 3.72 2o6mB1 GLY 331 HA3 0.01 0.19 0.85 -0.51 4.01 4.54 2o6mB1 CYS 332 H 0.01 0.34 0.02 -0.55 8.50 8.31 2o6mB1 CYS 332 HA 0.05 -0.02 0.39 -0.75 4.58 4.24 2o6mB1 CYS 332 HB2 0.07 -0.13 -0.19 -0.04 2.97 2.67 2o6mB1 CYS 332 HB3 0.04 0.09 -0.16 -0.04 2.97 2.91 2o6mB1 VAL 333 H -0.06 0.08 0.14 -0.55 8.24 7.85 2o6mB1 VAL 333 HA -0.01 0.31 0.91 -0.75 4.13 4.58 2o6mB1 VAL 333 HB -0.05 -0.04 0.14 -0.04 2.12 2.13 2o6mB1 VAL 333 HG13 -0.02 0.07 -0.11 -0.04 0.97 0.87 2o6mB1 VAL 333 HG23 -0.12 -0.01 -0.04 -0.04 0.95 0.74 2o6mB1 HIS 334 H 0.07 -0.00 -0.17 -0.55 8.41 7.77 2o6mB1 HIS 334 HA 0.01 0.02 0.43 -0.75 4.63 4.33 2o6mB1 HIS 334 HB2 0.02 -0.07 -0.06 -0.04 3.26 3.10 2o6mB1 HIS 334 HB3 0.01 0.13 -0.18 -0.04 3.20 3.12 2o6mB1 HIS 334 HD2 0.02 -0.04 -0.03 -0.04 6.97 6.87 2o6mB1 HIS 334 HE1 0.08 0.04 -0.09 -0.04 7.75 7.74 2o6mB1 ALA 335 H 0.07 0.09 0.11 -0.55 8.40 8.12 2o6mB1 ALA 335 HA 0.04 0.08 0.29 -0.75 4.34 4.00 2o6mB1 ALA 335 HB3 0.03 -0.02 0.08 -0.04 1.41 1.47 2o6mB1 VAL 336 H 0.07 0.03 -0.23 -0.55 8.24 7.56 2o6mB1 VAL 336 HA 0.04 0.11 0.61 -0.75 4.13 4.13 2o6mB1 VAL 336 HB 0.03 -0.09 0.07 -0.04 2.12 2.09 2o6mB1 VAL 336 HG13 0.03 0.03 -0.12 -0.04 0.97 0.87 2o6mB1 VAL 336 HG23 0.03 -0.01 -0.03 -0.04 0.95 0.90 2o6mB1 VAL 337 H 0.04 0.17 -0.01 -0.55 8.24 7.90 2o6mB1 VAL 337 HA 0.08 -0.02 0.21 -0.75 4.13 3.65 2o6mB1 VAL 337 HB 0.04 0.06 0.06 -0.04 2.12 2.24 2o6mB1 VAL 337 HG13 0.03 -0.01 -0.05 -0.04 0.97 0.89 2o6mB1 VAL 337 HG23 0.04 0.08 -0.03 -0.04 0.95 0.99 2o6mB1 CYS 338 H 0.06 -0.02 0.09 -0.55 8.50 8.08 2o6mB1 CYS 338 HA -0.04 0.10 0.51 -0.75 4.58 4.40 2o6mB1 CYS 338 HB2 0.05 -0.14 0.06 -0.04 2.97 2.90 2o6mB1 CYS 338 HB3 0.02 0.15 0.10 -0.04 2.97 3.19 2o6mB1 LEU 339 H -0.04 0.18 0.16 -0.55 8.37 8.13 2o6mB1 LEU 339 HA -0.01 0.14 0.62 -0.75 4.35 4.34 2o6mB1 LEU 339 HB2 -0.10 0.05 -0.05 -0.04 1.64 1.50 2o6mB1 LEU 339 HB3 -0.09 -0.02 0.00 -0.04 1.64 1.49 2o6mB1 LEU 339 HG -0.03 0.03 -0.06 -0.04 1.64 1.54 2o6mB1 LEU 339 HD13 -0.12 0.02 -0.01 -0.04 0.93 0.78 2o6mB1 LEU 339 HD23 0.01 0.01 -0.03 -0.04 0.89 0.84 2o6mB1 ARG 340 H 0.00 0.13 -0.05 -0.55 8.46 7.99 2o6mB1 ARG 340 HA -0.01 0.04 0.48 -0.75 4.34 4.10 2o6mB1 ARG 340 HB2 -0.01 0.16 0.04 -0.04 1.90 2.05 2o6mB1 ARG 340 HB3 -0.02 0.05 -0.31 -0.04 1.80 1.48 2o6mB1 ARG 340 HG2 0.03 -0.05 -0.18 -0.04 1.67 1.43 2o6mB1 ARG 340 HG3 0.08 -0.10 -0.13 -0.04 1.67 1.48 2o6mB1 ARG 340 HD2 0.15 -0.09 -0.26 -0.04 3.22 2.97 2o6mB1 ARG 340 HD3 -0.01 0.39 -0.22 -0.04 3.22 3.34 2o6mB1 GLN 341 H -0.04 0.67 0.20 -0.55 8.47 8.75 2o6mB1 GLN 341 HA -0.07 -0.06 0.08 -0.75 4.36 3.55 2o6mB1 GLN 341 HB2 -0.13 -0.11 -0.26 -0.04 2.15 1.61 2o6mB1 GLN 341 HB3 -0.08 -0.02 -0.04 -0.04 2.02 1.84 2o6mB1 GLN 341 HG2 -0.10 0.27 -0.23 -0.04 2.40 2.30 2o6mB1 GLN 341 HG3 -0.39 -0.04 -0.02 -0.04 2.39 1.90 2o6mB1 GLN 341 HE21 -0.26 -0.14 0.03 -0.04 6.97 6.55 2o6mB1 GLN 341 HE22 -0.71 0.19 0.14 -0.04 7.69 7.27 2o6mB1 GLY 342 H -0.03 0.54 0.18 -0.55 8.43 8.58 2o6mB1 GLY 342 HA2 -0.36 0.05 0.42 -0.51 4.01 3.61 2o6mB1 GLY 342 HA3 -0.15 -0.00 0.20 -0.51 4.01 3.54 2o6mB1 PRO 343 HA -0.14 0.09 0.47 -0.51 4.44 4.35 2o6mB1 PRO 343 HB2 -0.28 -0.04 0.06 -0.04 2.28 1.98 2o6mB1 PRO 343 HB3 -0.17 -0.01 0.14 -0.04 2.02 1.95 2o6mB1 PRO 343 HG2 -0.36 -0.00 0.11 -0.04 2.03 1.74 2o6mB1 PRO 343 HG3 -0.27 0.10 0.10 -0.04 2.03 1.92 2o6mB1 PRO 343 HD2 -0.83 -0.01 0.27 -0.04 3.68 3.08 2o6mB1 PRO 343 HD3 -1.13 0.17 0.22 -0.04 3.65 2.88 2o6mB1 LEU 344 H -0.43 0.49 -0.18 -0.55 8.37 7.70 2o6mB1 LEU 344 HA -0.17 0.15 0.75 -0.75 4.35 4.32 2o6mB1 LEU 344 HB2 -1.26 0.06 -0.12 -0.04 1.64 0.29 2o6mB1 LEU 344 HB3 -0.73 -0.07 -0.02 -0.04 1.64 0.78 2o6mB1 LEU 344 HG -0.17 -0.04 -0.02 -0.04 1.64 1.36 2o6mB1 LEU 344 HD13 -0.22 0.01 -0.19 -0.04 0.93 0.49 2o6mB1 LEU 344 HD23 -0.81 -0.02 -0.04 -0.04 0.89 -0.02 2o6mB1 TYR 345 H 0.02 0.41 -0.27 -0.55 8.29 7.90 2o6mB1 TYR 345 HA 0.15 -0.00 0.46 -0.75 4.56 4.41 2o6mB1 TYR 345 HB2 0.04 -0.00 -0.29 -0.04 3.06 2.77 2o6mB1 TYR 345 HB3 -0.02 0.19 -0.01 -0.04 2.98 3.10 2o6mB1 TYR 345 HD2 0.05 0.10 -0.20 -0.04 7.15 7.06 2o6mB1 TYR 345 HE2 0.03 -0.04 -0.02 -0.04 6.85 6.78 2o6mB1 GLY 346 H -0.51 0.21 0.23 -0.55 8.43 7.81 2o6mB1 GLY 346 HA2 -0.41 0.01 0.30 -0.51 4.01 3.40 2o6mB1 GLY 346 HA3 -0.13 0.15 0.58 -0.51 4.01 4.11 2o6mB1 PRO 347 HA -0.08 0.06 0.51 -0.51 4.44 4.41 2o6mB1 PRO 347 HB2 -0.03 0.04 0.08 -0.04 2.28 2.33 2o6mB1 PRO 347 HB3 -0.05 -0.03 0.13 -0.04 2.02 2.04 2o6mB1 PRO 347 HG2 -0.03 0.19 0.06 -0.04 2.03 2.21 2o6mB1 PRO 347 HG3 -0.02 0.00 0.08 -0.04 2.03 2.05 2o6mB1 PRO 347 HD2 -0.06 0.15 0.23 -0.04 3.68 3.96 2o6mB1 PRO 347 HD3 -0.07 0.09 0.19 -0.04 3.65 3.82 2o6mB1 GLY 348 H -0.03 0.04 -0.39 -0.55 8.43 7.51 2o6mB1 GLY 348 HA2 0.02 0.05 0.22 -0.51 4.01 3.79 2o6mB1 GLY 348 HA3 0.00 0.08 0.45 -0.51 4.01 4.04 2o6mB1 ALA 349 H 0.01 0.14 -0.03 -0.55 8.40 7.97 2o6mB1 ALA 349 HA -0.00 0.21 0.71 -0.75 4.34 4.50 2o6mB1 ALA 349 HB3 0.01 0.01 0.01 -0.04 1.41 1.40 2o6mB1 THR 350 H -0.01 0.22 -0.07 -0.55 8.28 7.87 2o6mB1 THR 350 HA -0.01 0.04 0.57 -0.75 4.39 4.24 2o6mB1 THR 350 HB -0.01 0.02 0.01 -0.04 4.32 4.30 2o6mB1 THR 350 HG23 -0.02 -0.05 -0.16 -0.04 1.22 0.95 2o6mB1 VAL 351 H -0.01 0.12 0.20 -0.55 8.24 8.01 2o6mB1 VAL 351 HA -0.00 0.14 0.54 -0.75 4.13 4.04 2o6mB1 VAL 351 HB -0.01 -0.03 0.14 -0.04 2.12 2.18 2o6mB1 VAL 351 HG13 -0.00 -0.00 -0.07 -0.04 0.97 0.85 2o6mB1 VAL 351 HG23 -0.00 0.02 0.04 -0.04 0.95 0.97 2o6mB1 ALA 352 H -0.01 0.15 0.00 -0.55 8.40 7.99 2o6mB1 ALA 352 HA -0.01 0.10 0.55 -0.75 4.34 4.23 2o6mB1 ALA 352 HB3 -0.01 0.03 -0.05 -0.04 1.41 1.33 2o6mB1 GLY 353 H -0.01 0.12 0.04 -0.55 8.43 8.03 2o6mB1 GLY 353 HA2 -0.02 0.13 0.67 -0.51 4.01 4.28 2o6mB1 GLY 353 HA3 -0.02 0.05 0.31 -0.51 4.01 3.85 2o6mB1 PRO 354 HA -0.04 0.03 0.46 -0.51 4.44 4.37 2o6mB1 PRO 354 HB2 -0.03 0.01 -0.03 -0.04 2.28 2.19 2o6mB1 PRO 354 HB3 -0.04 0.02 0.10 -0.04 2.02 2.05 2o6mB1 PRO 354 HG2 -0.02 0.03 0.10 -0.04 2.03 2.10 2o6mB1 PRO 354 HG3 -0.02 0.04 0.08 -0.04 2.03 2.08 2o6mB1 PRO 354 HD2 -0.02 0.08 0.21 -0.04 3.68 3.91 2o6mB1 PRO 354 HD3 -0.03 0.13 0.17 -0.04 3.65 3.89 2o6mB1 GLN 355 H -0.05 0.23 0.21 -0.55 8.47 8.32 2o6mB1 GLN 355 HA -0.01 0.08 0.54 -0.75 4.36 4.22 2o6mB1 GLN 355 HB2 -0.00 -0.01 -0.03 -0.04 2.15 2.07 2o6mB1 GLN 355 HB3 -0.01 0.12 -0.13 -0.04 2.02 1.96 2o6mB1 GLN 355 HG2 -0.02 0.15 -0.08 -0.04 2.40 2.41 2o6mB1 GLN 355 HG3 -0.02 -0.08 -0.09 -0.04 2.39 2.16 2o6mB1 GLN 355 HE21 -0.01 -0.06 -0.04 -0.04 6.97 6.82 2o6mB1 GLN 355 HE22 -0.02 0.38 -0.10 -0.04 7.69 7.91 2o6mB1 GLN 356 H 0.02 0.34 0.17 -0.55 8.47 8.45 2o6mB1 GLN 356 HA 0.02 0.13 0.83 -0.75 4.36 4.58 2o6mB1 GLN 356 HB2 0.22 -0.14 0.03 -0.04 2.15 2.22 2o6mB1 GLN 356 HB3 0.06 0.02 -0.19 -0.04 2.02 1.87 2o6mB1 GLN 356 HG2 0.06 -0.02 -0.00 -0.04 2.40 2.40 2o6mB1 GLN 356 HG3 0.08 0.26 -0.30 -0.04 2.39 2.39 2o6mB1 GLN 356 HE21 0.12 0.33 0.00 -0.04 6.97 7.38 2o6mB1 GLN 356 HE22 0.07 -0.01 -0.05 -0.04 7.69 7.66 2o6mB1 ARG 357 H 0.08 0.07 0.14 -0.55 8.46 8.20 2o6mB1 ARG 357 HA 0.03 0.16 0.62 -0.75 4.34 4.39 2o6mB1 ARG 357 HB2 0.07 -0.09 0.15 -0.04 1.90 1.99 2o6mB1 ARG 357 HB3 0.03 0.03 0.03 -0.04 1.80 1.85 2o6mB1 ARG 357 HG2 0.03 -0.02 -0.05 -0.04 1.67 1.59 2o6mB1 ARG 357 HG3 0.04 0.01 0.03 -0.04 1.67 1.70 2o6mB1 ARG 357 HD2 0.02 0.04 0.02 -0.04 3.22 3.25 2o6mB1 ARG 357 HD3 0.02 0.02 -0.01 -0.04 3.22 3.20 2o6mB1 GLY 358 H 0.10 -0.07 0.02 -0.55 8.43 7.94 2o6mB1 GLY 358 HA2 -0.02 0.27 0.73 -0.51 4.01 4.47 2o6mB1 GLY 358 HA3 -0.03 -0.06 0.36 -0.51 4.01 3.78 2o6mB1 SER 359 H -0.30 0.15 0.05 -0.55 8.46 7.81 2o6mB1 SER 359 HA -0.04 0.24 0.85 -0.75 4.49 4.79 2o6mB1 SER 359 HB2 -0.09 0.04 0.18 -0.04 3.95 4.05 2o6mB1 SER 359 HB3 -0.06 0.09 -0.06 -0.04 3.93 3.86 2o6mB1 HIS 360 H -0.09 0.06 -0.07 -0.55 8.41 7.76 2o6mB1 HIS 360 HA -0.22 0.24 0.82 -0.75 4.63 4.71 2o6mB1 HIS 360 HB2 -0.70 -0.04 0.04 -0.04 3.26 2.52 2o6mB1 HIS 360 HB3 -0.67 0.05 0.10 -0.04 3.20 2.64 2o6mB1 HIS 360 HD2 -0.06 -0.03 0.01 -0.04 6.97 6.84 2o6mB1 HIS 360 HE1 -0.06 0.03 -0.02 -0.04 7.75 7.66 2o6mB1 PHE 361 H 0.09 0.05 -0.09 -0.55 8.34 7.83 2o6mB1 PHE 361 HA 0.04 0.31 1.12 -0.75 4.62 5.33 2o6mB1 PHE 361 HB2 0.02 -0.02 -0.10 -0.04 3.15 3.01 2o6mB1 PHE 361 HB3 0.02 0.07 0.01 -0.04 3.06 3.12 2o6mB1 PHE 361 HD2 0.03 -0.00 -0.05 -0.04 7.28 7.22 2o6mB1 PHE 361 HE2 0.04 -0.02 -0.03 -0.04 7.38 7.33 2o6mB1 PHE 361 HZ 0.01 0.01 -0.03 -0.04 7.32 7.27 2o6mB1 VAL 362 H 0.19 0.32 0.19 -0.55 8.24 8.39 2o6mB1 VAL 362 HA 0.07 0.12 0.67 -0.75 4.13 4.24 2o6mB1 VAL 362 HB 0.03 0.03 0.03 -0.04 2.12 2.18 2o6mB1 VAL 362 HG13 0.03 -0.00 -0.26 -0.04 0.97 0.69 2o6mB1 VAL 362 HG23 0.05 0.02 -0.08 -0.04 0.95 0.89 2o6mB1 VAL 363 H 0.03 0.12 0.01 -0.55 8.24 7.86 2o6mB1 VAL 363 HA 0.02 0.12 0.26 -0.75 4.13 3.78 2o6mB1 VAL 363 HB 0.01 0.01 0.07 -0.04 2.12 2.18 2o6mB1 VAL 363 HG13 -0.00 0.01 0.03 -0.04 0.97 0.98 2o6mB1 VAL 363 HG23 0.01 0.01 0.01 -0.04 0.95 0.94