============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. TYR 17 0.840 -25.752 -15.204 41.997 -99.200 -91.000 TRP 21 1.040 -18.348 -13.409 49.114 -99.200 -91.000 TRP6 21 1.020 -17.824 -11.985 50.924 -99.200 -91.000 TRP 25 1.040 -5.824 -21.606 46.611 -99.200 -91.000 TRP6 25 1.020 -5.144 -22.441 44.508 -99.200 -91.000 PHE 35 1.000 -23.453 -22.630 43.106 -99.200 -91.000 TRP 43 1.040 -21.341 -26.882 44.432 -99.200 -91.000 TRP6 43 1.020 -21.471 -29.176 44.953 -99.200 -91.000 PHE 44 1.000 -24.696 -33.527 41.230 -99.200 -91.000 TYR 50 0.840 -16.152 -25.322 34.890 -99.200 -91.000 HIS 57 0.900 -12.131 -22.119 23.825 -99.200 -91.000 PHE 63 1.000 -13.486 -26.956 38.764 -99.200 -91.000 HIS 72 0.900 -20.831 -17.402 59.074 -99.200 -91.000 TRP 78 1.040 -17.595 -21.791 49.704 -99.200 -91.000 TRP6 78 1.020 -15.577 -20.814 50.418 -99.200 -91.000 HIS 82 0.900 -8.238 -19.515 35.672 -99.200 -91.000 TYR 83 0.840 -11.648 -11.012 40.928 -99.200 -91.000 HIS 84 0.900 -11.258 -13.914 33.857 -99.200 -91.000 TYR 90 0.840 -25.648 -5.308 33.663 -99.200 -91.000 TYR 92 0.840 -14.684 -3.556 29.474 -99.200 -91.000 HIS 116 0.900 -14.122 -25.788 23.421 -99.200 -91.000 HIS 118 0.900 -24.243 -23.906 20.890 -99.200 -91.000 PHE 122 1.000 -17.093 -37.885 17.941 -99.200 -91.000 HIS 132 0.900 -24.492 -20.435 29.566 -99.200 -91.000 HIS 159 0.900 -26.663 -35.606 21.061 -99.200 -91.000 TYR 179 0.840 -30.109 -11.349 28.397 -99.200 -91.000 PHE 194 1.000 -26.902 -30.304 22.354 -99.200 -91.000 TYR 197 0.840 -32.721 -28.145 25.803 -99.200 -91.000 TRP 203 1.040 -33.895 -14.984 21.978 -99.200 -91.000 TRP6 203 1.020 -35.427 -13.937 20.524 -99.200 -91.000 PHE 205 1.000 -22.856 -14.819 20.115 -99.200 -91.000 TRP 210 1.040 -29.837 -4.087 20.317 -99.200 -91.000 TRP6 210 1.020 -30.259 -3.302 22.498 -99.200 -91.000 TYR 225 0.840 -25.792 -2.312 29.290 -99.200 -91.000 PHE 229 1.000 -36.618 -8.083 23.961 -99.200 -91.000 TYR 230 0.840 -33.716 0.742 25.852 -99.200 -91.000 PHE 239 1.000 -42.895 -17.988 31.046 -99.200 -91.000 TRP 259 1.040 -25.832 0.420 15.640 -99.200 -91.000 TRP6 259 1.020 -26.512 -1.631 16.581 -99.200 -91.000 PHE 260 1.000 -29.485 -0.526 9.454 -99.200 -91.000 TRP 276 1.040 -32.249 -11.210 17.948 -99.200 -91.000 TRP6 276 1.020 -31.869 -8.921 17.555 -99.200 -91.000 TYR 277 0.840 -34.147 -15.459 10.404 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3mtfA1 THR 203 HA 0.01 0.03 0.18 -0.75 4.39 3.86 3mtfA1 THR 203 HB -0.02 -0.10 0.11 -0.04 4.32 4.27 3mtfA1 THR 203 HG23 -0.01 0.03 0.07 -0.04 1.22 1.27 3mtfA1 VAL 204 H -0.05 0.13 0.06 -0.55 8.24 7.83 3mtfA1 VAL 204 HA 0.05 0.14 0.11 -0.75 4.13 3.68 3mtfA1 VAL 204 HB -0.25 -0.04 -0.03 -0.04 2.12 1.76 3mtfA1 VAL 204 HG13 -0.93 0.01 -0.13 -0.04 0.97 -0.12 3mtfA1 VAL 204 HG23 -0.14 0.03 -0.01 -0.04 0.95 0.80 3mtfA1 ALA 205 H -0.09 0.06 -0.14 -0.55 8.40 7.69 3mtfA1 ALA 205 HA 0.00 0.03 0.21 -0.75 4.34 3.83 3mtfA1 ALA 205 HB3 -0.50 0.01 -0.10 -0.04 1.41 0.78 3mtfA1 ARG 206 H -0.09 0.24 -0.41 -0.55 8.46 7.64 3mtfA1 ARG 206 HA -0.11 0.04 0.30 -0.75 4.34 3.81 3mtfA1 ASP 207 H 0.08 0.45 -0.37 -0.55 8.40 8.01 3mtfA1 ASP 207 HA 0.11 0.10 0.45 -0.75 4.63 4.53 3mtfA1 ASP 207 HB2 0.47 0.07 0.05 -0.04 2.71 3.26 3mtfA1 ASP 207 HB3 0.27 -0.12 0.16 -0.04 2.70 2.97 3mtfA1 ILE 208 H 0.15 0.37 -0.33 -0.55 8.25 7.90 3mtfA1 ILE 208 HA 0.24 0.30 0.90 -0.75 4.18 4.86 3mtfA1 ILE 208 HB 0.38 0.06 -0.03 -0.04 1.89 2.25 3mtfA1 ILE 208 HG12 0.18 -0.02 -0.27 -0.04 1.49 1.34 3mtfA1 ILE 208 HG13 0.14 0.15 -0.27 -0.04 1.21 1.18 3mtfA1 ILE 208 HG23 0.12 -0.04 -0.39 -0.04 0.93 0.58 3mtfA1 ILE 208 HD13 0.10 -0.04 -0.26 -0.04 0.88 0.63 3mtfA1 THR 209 H 0.12 0.53 0.26 -0.55 8.28 8.64 3mtfA1 THR 209 HA 0.06 0.18 0.93 -0.75 4.39 4.81 3mtfA1 THR 209 HB 0.06 -0.11 0.19 -0.04 4.32 4.42 3mtfA1 THR 209 HG23 0.04 0.02 -0.10 -0.04 1.22 1.14 3mtfA1 LEU 210 H -0.01 0.20 0.02 -0.55 8.37 8.03 3mtfA1 LEU 210 HA 0.04 0.02 0.56 -0.75 4.35 4.22 3mtfA1 LEU 210 HB2 -0.35 0.02 0.07 -0.04 1.64 1.34 3mtfA1 LEU 210 HB3 -0.59 -0.01 -0.07 -0.04 1.64 0.93 3mtfA1 LEU 210 HG -0.14 0.05 -0.08 -0.04 1.64 1.43 3mtfA1 LEU 210 HD13 -0.84 -0.00 -0.09 -0.04 0.93 -0.04 3mtfA1 LEU 210 HD23 -0.49 -0.01 -0.18 -0.04 0.89 0.17 3mtfA1 LEU 211 H 0.25 0.60 0.45 -0.55 8.37 9.13 3mtfA1 LEU 211 HA 0.14 0.14 0.75 -0.75 4.35 4.62 3mtfA1 LEU 211 HB2 0.06 0.07 0.09 -0.04 1.64 1.82 3mtfA1 LEU 211 HB3 0.05 -0.04 -0.01 -0.04 1.64 1.61 3mtfA1 LEU 211 HG 0.05 0.09 -0.07 -0.04 1.64 1.67 3mtfA1 LEU 211 HD13 -0.01 -0.02 -0.20 -0.04 0.93 0.67 3mtfA1 LEU 211 HD23 0.05 0.01 -0.13 -0.04 0.89 0.78 3mtfA1 GLU 212 H 0.28 0.38 0.34 -0.55 8.60 9.06 3mtfA1 GLU 212 HA -0.05 0.12 0.60 -0.75 4.29 4.21 3mtfA1 GLU 212 HB2 -0.10 0.03 0.09 -0.04 2.09 2.07 3mtfA1 GLU 212 HB3 0.00 0.12 -0.26 -0.04 1.99 1.81 3mtfA1 GLU 212 HG2 -0.02 -0.08 -0.03 -0.04 2.34 2.17 3mtfA1 GLU 212 HG3 -0.08 -0.02 -0.37 -0.04 2.34 1.82 3mtfA1 CYS 213 H -0.69 0.20 0.16 -0.55 8.50 7.62 3mtfA1 CYS 213 HA -1.37 0.11 0.82 -0.75 4.58 3.39 3mtfA1 CYS 213 HB2 -1.78 0.00 0.06 -0.04 2.97 1.21 3mtfA1 CYS 213 HB3 -0.63 0.02 0.15 -0.04 2.97 2.47 3mtfA1 VAL 214 H -0.27 0.61 0.51 -0.55 8.24 8.54 3mtfA1 VAL 214 HA -0.09 0.22 0.91 -0.75 4.13 4.41 3mtfA1 VAL 214 HB 0.04 0.00 0.12 -0.04 2.12 2.24 3mtfA1 VAL 214 HG13 0.08 -0.01 -0.12 -0.04 0.97 0.88 3mtfA1 VAL 214 HG23 0.08 -0.01 -0.20 -0.04 0.95 0.78 3mtfA1 GLY 215 H -0.17 0.25 0.14 -0.55 8.43 8.10 3mtfA1 GLY 215 HA2 -0.01 0.10 0.65 -0.51 4.01 4.24 3mtfA1 GLY 215 HA3 0.05 0.02 0.19 -0.51 4.01 3.77 3mtfA1 LYS 216 H 0.01 0.34 0.24 -0.55 8.42 8.46 3mtfA1 LYS 216 HA -0.24 0.24 0.94 -0.75 4.32 4.51 3mtfA1 LYS 216 HB2 -0.12 -0.00 -0.24 -0.04 1.87 1.47 3mtfA1 LYS 216 HB3 -0.09 -0.00 0.01 -0.04 1.79 1.67 3mtfA1 LYS 216 HG2 -0.13 0.01 -0.03 -0.04 1.46 1.27 3mtfA1 LYS 216 HG3 -0.15 0.07 0.10 -0.04 1.46 1.44 3mtfA1 LYS 216 HD2 -0.06 -0.02 -0.04 -0.04 1.69 1.53 3mtfA1 LYS 216 HD3 -0.06 -0.01 -0.04 -0.04 1.68 1.53 3mtfA1 LYS 216 HE2 -0.01 -0.00 -0.03 -0.04 2.99 2.90 3mtfA1 LYS 216 HE3 -0.04 0.01 -0.03 -0.04 2.99 2.88 3mtfA1 GLY 217 H -0.61 0.62 0.34 -0.55 8.43 8.23 3mtfA1 GLY 217 HA2 -0.12 0.14 0.40 -0.51 4.01 3.91 3mtfA1 GLY 217 HA3 -0.19 -0.01 0.47 -0.51 4.01 3.77 3mtfA1 ARG 218 H -0.02 0.19 0.17 -0.55 8.46 8.24 3mtfA1 ARG 218 HA -0.05 0.15 0.52 -0.75 4.34 4.21 3mtfA1 ARG 218 HB2 0.06 0.00 0.08 -0.04 1.90 2.01 3mtfA1 ARG 218 HB3 0.04 0.04 0.09 -0.04 1.80 1.92 3mtfA1 ARG 218 HG2 0.01 0.04 0.04 -0.04 1.67 1.71 3mtfA1 ARG 218 HG3 0.02 -0.03 0.08 -0.04 1.67 1.69 3mtfA1 TYR 219 H -0.12 0.04 -0.28 -0.55 8.29 7.38 3mtfA1 TYR 219 HA 0.06 0.10 0.45 -0.75 4.56 4.42 3mtfA1 TYR 219 HB2 -0.05 0.01 -0.06 -0.04 3.06 2.91 3mtfA1 TYR 219 HB3 0.01 0.01 -0.02 -0.04 2.98 2.94 3mtfA1 TYR 219 HD2 -0.09 -0.03 -0.41 -0.04 7.15 6.58 3mtfA1 TYR 219 HE2 -0.05 -0.01 -0.42 -0.04 6.85 6.33 3mtfA1 GLY 220 H -0.52 0.25 -0.32 -0.55 8.43 7.31 3mtfA1 GLY 220 HA2 -0.09 0.04 0.28 -0.51 4.01 3.73 3mtfA1 GLY 220 HA3 -0.01 0.32 0.94 -0.51 4.01 4.75 3mtfA1 GLU 221 H 0.05 0.61 0.29 -0.55 8.60 9.01 3mtfA1 GLU 221 HA -0.03 0.21 1.04 -0.75 4.29 4.76 3mtfA1 GLU 221 HB2 0.26 -0.01 0.07 -0.04 2.09 2.36 3mtfA1 GLU 221 HB3 0.19 0.04 -0.01 -0.04 1.99 2.17 3mtfA1 GLU 221 HG2 -0.02 0.04 -0.01 -0.04 2.34 2.30 3mtfA1 GLU 221 HG3 0.00 -0.11 -0.34 -0.04 2.34 1.85 3mtfA1 VAL 222 H 0.07 0.67 0.35 -0.55 8.24 8.78 3mtfA1 VAL 222 HA 0.14 0.36 1.08 -0.75 4.13 4.95 3mtfA1 VAL 222 HB 0.06 -0.05 -0.01 -0.04 2.12 2.07 3mtfA1 VAL 222 HG13 0.08 0.00 -0.25 -0.04 0.97 0.76 3mtfA1 VAL 222 HG23 0.06 -0.01 -0.23 -0.04 0.95 0.74 3mtfA1 TRP 223 H 0.22 0.46 0.32 -0.55 7.97 8.42 3mtfA1 TRP 223 HA -0.02 0.10 1.09 -0.75 4.62 5.04 3mtfA1 TRP 223 HB2 -0.18 -0.01 0.01 -0.04 3.23 3.00 3mtfA1 TRP 223 HB3 -0.09 0.08 -0.13 -0.04 3.23 3.05 3mtfA1 TRP 223 HD1 -0.13 0.01 -0.33 -0.04 7.22 6.72 3mtfA1 TRP 223 HE1 -0.06 -0.00 -0.12 -0.04 10.20 9.98 3mtfA1 TRP 223 HE3 -0.04 -0.04 -0.27 -0.04 7.59 7.20 3mtfA1 TRP 223 HZ2 -0.00 0.01 -0.09 -0.04 7.44 7.32 3mtfA1 TRP 223 HZ3 0.00 0.14 -0.42 -0.04 7.13 6.81 3mtfA1 TRP 223 HH2 0.01 0.04 -0.11 -0.04 7.19 7.09 3mtfA1 ARG 224 H 0.06 0.42 0.32 -0.55 8.46 8.71 3mtfA1 ARG 224 HA -0.13 0.26 0.95 -0.75 4.34 4.68 3mtfA1 ARG 224 HB2 -0.12 -0.01 0.13 -0.04 1.90 1.86 3mtfA1 ARG 224 HB3 -0.08 -0.07 0.20 -0.04 1.80 1.81 3mtfA1 ARG 224 HG2 -0.32 0.04 -0.09 -0.04 1.67 1.27 3mtfA1 ARG 224 HG3 -1.28 0.00 0.06 -0.04 1.67 0.41 3mtfA1 ARG 224 HD2 -0.40 -0.01 -0.03 -0.04 3.22 2.74 3mtfA1 ARG 224 HD3 -0.28 0.00 -0.02 -0.04 3.22 2.88 3mtfA1 GLY 225 H -0.02 0.70 0.32 -0.55 8.43 8.89 3mtfA1 GLY 225 HA2 0.05 0.17 0.78 -0.51 4.01 4.50 3mtfA1 GLY 225 HA3 0.04 -0.02 0.24 -0.51 4.01 3.76 3mtfA1 SER 226 H 0.06 0.51 0.25 -0.55 8.46 8.74 3mtfA1 SER 226 HA 0.07 0.44 1.01 -0.75 4.49 5.25 3mtfA1 SER 226 HB2 0.04 -0.05 -0.14 -0.04 3.95 3.75 3mtfA1 SER 226 HB3 0.02 0.00 -0.10 -0.04 3.93 3.81 3mtfA1 TRP 227 H 0.23 0.72 0.13 -0.55 7.97 8.51 3mtfA1 TRP 227 HA 0.02 0.25 0.67 -0.75 4.62 4.80 3mtfA1 TRP 227 HB2 0.03 -0.02 -0.16 -0.04 3.23 3.04 3mtfA1 TRP 227 HB3 0.02 0.02 -0.03 -0.04 3.23 3.20 3mtfA1 TRP 227 HD1 0.03 0.15 -0.11 -0.04 7.22 7.24 3mtfA1 TRP 227 HE1 0.01 0.01 -0.05 -0.04 10.20 10.13 3mtfA1 TRP 227 HE3 0.01 0.00 -0.14 -0.04 7.59 7.42 3mtfA1 TRP 227 HZ2 0.00 0.00 -0.06 -0.04 7.44 7.34 3mtfA1 TRP 227 HZ3 0.01 0.01 -0.07 -0.04 7.13 7.04 3mtfA1 TRP 227 HH2 0.00 0.03 -0.05 -0.04 7.19 7.13 3mtfA1 GLN 228 H -0.30 0.26 0.10 -0.55 8.47 7.98 3mtfA1 GLN 228 HA -0.35 0.05 0.33 -0.75 4.36 3.63 3mtfA1 GLN 228 HB2 -0.81 0.12 -0.29 -0.04 2.15 1.14 3mtfA1 GLN 228 HB3 -0.55 0.02 0.15 -0.04 2.02 1.60 3mtfA1 GLN 228 HG2 -2.58 -0.06 -0.12 -0.04 2.40 -0.40 3mtfA1 GLN 228 HG3 -1.93 0.03 -0.07 -0.04 2.39 0.38 3mtfA1 GLN 228 HE21 -0.26 0.01 0.01 -0.04 6.97 6.69 3mtfA1 GLN 228 HE22 -0.42 0.01 0.02 -0.04 7.69 7.25 3mtfA1 GLY 229 H -0.07 0.03 -0.39 -0.55 8.43 7.45 3mtfA1 GLY 229 HA2 -0.03 -0.02 0.22 -0.51 4.01 3.66 3mtfA1 GLY 229 HA3 -0.06 0.08 0.39 -0.51 4.01 3.91 3mtfA1 GLU 230 H -0.00 0.70 -0.35 -0.55 8.60 8.40 3mtfA1 GLU 230 HA 0.01 0.12 0.91 -0.75 4.29 4.57 3mtfA1 GLU 230 HB2 0.12 0.02 -0.05 -0.04 2.09 2.14 3mtfA1 GLU 230 HB3 0.05 -0.03 0.10 -0.04 1.99 2.07 3mtfA1 GLU 230 HG2 -0.06 0.21 -0.08 -0.04 2.34 2.37 3mtfA1 GLU 230 HG3 0.01 -0.06 -0.01 -0.04 2.34 2.24 3mtfA1 ASN 231 H 0.01 0.09 0.18 -0.55 8.53 8.27 3mtfA1 ASN 231 HA -0.07 0.27 0.82 -0.75 4.76 5.02 3mtfA1 ASN 231 HB2 0.03 -0.05 0.15 -0.04 2.88 2.98 3mtfA1 ASN 231 HB3 -0.44 -0.01 0.01 -0.04 2.79 2.30 3mtfA1 ASN 231 HD21 -0.04 0.02 0.00 -0.04 7.03 6.97 3mtfA1 ASN 231 HD22 0.07 -0.04 0.02 -0.04 7.74 7.74 3mtfA1 VAL 232 H -0.01 0.78 0.41 -0.55 8.24 8.88 3mtfA1 VAL 232 HA 0.14 0.09 0.58 -0.75 4.13 4.19 3mtfA1 VAL 232 HB 0.03 0.11 0.02 -0.04 2.12 2.24 3mtfA1 VAL 232 HG13 0.21 0.00 -0.20 -0.04 0.97 0.94 3mtfA1 VAL 232 HG23 0.07 -0.02 -0.32 -0.04 0.95 0.64 3mtfA1 ALA 233 H 0.13 0.57 0.00 -0.55 8.40 8.56 3mtfA1 ALA 233 HA 0.20 0.33 1.07 -0.75 4.34 5.19 3mtfA1 ALA 233 HB3 0.16 -0.03 -0.02 -0.04 1.41 1.49 3mtfA1 VAL 234 H 0.07 0.59 0.29 -0.55 8.24 8.64 3mtfA1 VAL 234 HA -0.06 0.32 1.09 -0.75 4.13 4.72 3mtfA1 VAL 234 HB -0.29 -0.07 0.05 -0.04 2.12 1.77 3mtfA1 VAL 234 HG13 -0.99 -0.00 -0.30 -0.04 0.97 -0.36 3mtfA1 VAL 234 HG23 -0.12 0.01 -0.30 -0.04 0.95 0.50 3mtfA1 LYS 235 H 0.02 0.63 0.29 -0.55 8.42 8.82 3mtfA1 LYS 235 HA 0.00 0.30 1.09 -0.75 4.32 4.96 3mtfA1 LYS 235 HB2 -0.02 -0.04 0.02 -0.04 1.87 1.79 3mtfA1 LYS 235 HB3 0.09 -0.04 0.19 -0.04 1.79 1.99 3mtfA1 LYS 235 HG2 -0.77 -0.03 -0.32 -0.04 1.46 0.30 3mtfA1 LYS 235 HG3 -0.18 0.10 -0.18 -0.04 1.46 1.15 3mtfA1 LYS 235 HD2 -0.22 -0.01 -0.14 -0.04 1.69 1.27 3mtfA1 LYS 235 HD3 -0.20 -0.04 -0.10 -0.04 1.68 1.29 3mtfA1 LYS 235 HE2 -1.25 0.04 -0.18 -0.04 2.99 1.55 3mtfA1 LYS 235 HE3 -0.42 -0.02 -0.27 -0.04 2.99 2.24 3mtfA1 ILE 236 H -0.00 0.71 0.34 -0.55 8.25 8.74 3mtfA1 ILE 236 HA 0.09 0.27 0.95 -0.75 4.18 4.74 3mtfA1 ILE 236 HB 0.01 -0.07 0.16 -0.04 1.89 1.95 3mtfA1 ILE 236 HG12 -1.19 0.01 -0.19 -0.04 1.49 0.08 3mtfA1 ILE 236 HG13 -0.61 -0.04 -0.37 -0.04 1.21 0.15 3mtfA1 ILE 236 HG23 0.16 0.01 -0.12 -0.04 0.93 0.94 3mtfA1 ILE 236 HD13 -0.59 -0.01 -0.12 -0.04 0.88 0.12 3mtfA1 PHE 237 H 0.54 0.55 0.27 -0.55 8.34 9.14 3mtfA1 PHE 237 HA 0.18 0.18 0.55 -0.75 4.62 4.78 3mtfA1 PHE 237 HB2 0.08 -0.05 0.12 -0.04 3.15 3.27 3mtfA1 PHE 237 HB3 0.15 0.09 -0.04 -0.04 3.06 3.22 3mtfA1 PHE 237 HD2 0.27 0.22 0.01 -0.04 7.28 7.74 3mtfA1 PHE 237 HE2 0.29 -0.04 -0.13 -0.04 7.38 7.46 3mtfA1 PHE 237 HZ 0.19 -0.03 -0.15 -0.04 7.32 7.29 3mtfA1 SER 238 H 0.17 0.52 0.12 -0.55 8.46 8.72 3mtfA1 SER 238 HA 0.09 0.15 0.72 -0.75 4.49 4.69 3mtfA1 SER 238 HB2 0.06 -0.11 0.14 -0.04 3.95 4.00 3mtfA1 SER 238 HB3 0.04 0.05 -0.03 -0.04 3.93 3.95 3mtfA1 SER 239 H 0.06 0.19 0.17 -0.55 8.46 8.34 3mtfA1 SER 239 HA 0.05 0.12 0.51 -0.75 4.49 4.41 3mtfA1 SER 239 HB2 0.02 0.03 0.09 -0.04 3.95 4.05 3mtfA1 SER 239 HB3 0.02 0.08 0.16 -0.04 3.93 4.15 3mtfA1 ARG 240 H 0.06 0.08 -0.18 -0.55 8.46 7.87 3mtfA1 ARG 240 HA 0.05 0.13 0.36 -0.75 4.34 4.13 3mtfA1 ARG 240 HB2 0.05 0.03 0.16 -0.04 1.90 2.10 3mtfA1 ARG 240 HB3 0.04 -0.00 0.10 -0.04 1.80 1.90 3mtfA1 ASP 241 H 0.14 0.44 -0.74 -0.55 8.40 7.70 3mtfA1 ASP 241 HA 0.15 0.16 0.93 -0.75 4.63 5.12 3mtfA1 ASP 241 HB2 0.19 0.05 -0.16 -0.04 2.71 2.75 3mtfA1 ASP 241 HB3 0.33 0.11 0.13 -0.04 2.70 3.24 3mtfA1 GLU 242 H 0.10 0.36 0.01 -0.55 8.60 8.52 3mtfA1 GLU 242 HA 0.09 0.06 0.39 -0.75 4.29 4.07 3mtfA1 GLU 242 HB2 -0.01 -0.01 0.12 -0.04 2.09 2.15 3mtfA1 GLU 242 HB3 0.02 0.10 0.15 -0.04 1.99 2.22 3mtfA1 GLU 242 HG2 0.04 0.08 0.10 -0.04 2.34 2.51 3mtfA1 GLU 242 HG3 0.05 -0.00 -0.16 -0.04 2.34 2.19 3mtfA1 LYS 243 H 0.11 0.12 -0.23 -0.55 8.42 7.86 3mtfA1 LYS 243 HA 0.14 0.10 0.50 -0.75 4.32 4.30 3mtfA1 LYS 243 HB2 0.08 -0.06 0.13 -0.04 1.87 1.98 3mtfA1 LYS 243 HB3 0.07 0.05 0.01 -0.04 1.79 1.88 3mtfA1 LYS 243 HG2 0.03 -0.09 0.07 -0.04 1.46 1.42 3mtfA1 LYS 243 HG3 0.01 0.20 0.20 -0.04 1.46 1.83 3mtfA1 LYS 243 HD2 -0.06 0.05 0.05 -0.04 1.69 1.68 3mtfA1 LYS 243 HD3 -0.06 -0.08 -0.01 -0.04 1.68 1.50 3mtfA1 LYS 243 HE2 -0.17 -0.01 0.02 -0.04 2.99 2.78 3mtfA1 LYS 243 HE3 -0.08 -0.06 -0.00 -0.04 2.99 2.82 3mtfA1 SER 244 H 0.19 0.20 -0.20 -0.55 8.46 8.10 3mtfA1 SER 244 HA 0.13 0.28 0.54 -0.75 4.49 4.68 3mtfA1 SER 244 HB2 0.49 0.13 0.14 -0.04 3.95 4.67 3mtfA1 SER 244 HB3 0.33 -0.10 0.03 -0.04 3.93 4.15 3mtfA1 TRP 245 H -0.18 0.29 -0.10 -0.55 7.97 7.43 3mtfA1 TRP 245 HA -0.69 -0.02 0.46 -0.75 4.62 3.62 3mtfA1 TRP 245 HB2 -2.11 -0.01 0.05 -0.04 3.23 1.12 3mtfA1 TRP 245 HB3 -0.46 0.15 0.10 -0.04 3.23 2.99 3mtfA1 TRP 245 HD1 -0.12 -0.02 -0.30 -0.04 7.22 6.75 3mtfA1 TRP 245 HE1 0.10 0.23 0.07 -0.04 10.20 10.55 3mtfA1 TRP 245 HE3 0.05 0.10 -0.13 -0.04 7.59 7.56 3mtfA1 TRP 245 HZ2 0.02 -0.02 -0.19 -0.04 7.44 7.22 3mtfA1 TRP 245 HZ3 0.22 0.01 -0.06 -0.04 7.13 7.26 3mtfA1 TRP 245 HH2 0.04 0.01 -0.08 -0.04 7.19 7.11 3mtfA1 PHE 246 H 0.35 0.40 -0.28 -0.55 8.34 8.25 3mtfA1 PHE 246 HA -0.48 0.02 0.39 -0.75 4.62 3.80 3mtfA1 PHE 246 HB2 0.28 0.03 0.11 -0.04 3.15 3.53 3mtfA1 PHE 246 HB3 0.05 0.10 0.17 -0.04 3.06 3.35 3mtfA1 PHE 246 HD2 0.11 0.01 -0.14 -0.04 7.28 7.23 3mtfA1 PHE 246 HE2 0.02 -0.00 -0.05 -0.04 7.38 7.30 3mtfA1 PHE 246 HZ -0.01 0.01 -0.04 -0.04 7.32 7.24 3mtfA1 ARG 247 H 0.13 0.69 -0.03 -0.55 8.46 8.70 3mtfA1 ARG 247 HA -0.06 0.00 0.43 -0.75 4.34 3.96 3mtfA1 ARG 247 HB2 0.07 0.02 0.13 -0.04 1.90 2.07 3mtfA1 ARG 247 HB3 0.00 0.01 0.12 -0.04 1.80 1.89 3mtfA1 ARG 247 HG2 -0.03 0.11 -0.18 -0.04 1.67 1.53 3mtfA1 ARG 247 HG3 -0.08 0.01 -0.17 -0.04 1.67 1.39 3mtfA1 ARG 247 HD2 -0.05 -0.11 0.00 -0.04 3.22 3.02 3mtfA1 ARG 247 HD3 0.03 -0.12 -0.03 -0.04 3.22 3.07 3mtfA1 GLU 248 H -0.12 0.56 -0.20 -0.55 8.60 8.30 3mtfA1 GLU 248 HA -0.13 0.03 0.25 -0.75 4.29 3.68 3mtfA1 GLU 248 HB2 0.01 0.10 0.11 -0.04 2.09 2.27 3mtfA1 GLU 248 HB3 0.18 -0.02 -0.03 -0.04 1.99 2.08 3mtfA1 GLU 248 HG2 -0.00 -0.12 -0.15 -0.04 2.34 2.02 3mtfA1 GLU 248 HG3 0.11 0.14 -0.12 -0.04 2.34 2.44 3mtfA1 THR 249 H -0.50 0.58 -0.13 -0.55 8.28 7.68 3mtfA1 THR 249 HA -0.29 -0.03 0.40 -0.75 4.39 3.71 3mtfA1 THR 249 HB -0.96 0.13 0.11 -0.04 4.32 3.55 3mtfA1 THR 249 HG23 -0.39 -0.02 -0.05 -0.04 1.22 0.72 3mtfA1 GLU 250 H -0.49 0.54 -0.26 -0.55 8.60 7.85 3mtfA1 GLU 250 HA -0.36 -0.00 0.46 -0.75 4.29 3.64 3mtfA1 GLU 250 HB2 -0.55 0.03 0.08 -0.04 2.09 1.61 3mtfA1 GLU 250 HB3 -0.25 0.15 0.12 -0.04 1.99 1.97 3mtfA1 GLU 250 HG2 -0.16 0.01 -0.28 -0.04 2.34 1.87 3mtfA1 GLU 250 HG3 -0.20 -0.04 -0.01 -0.04 2.34 2.04 3mtfA1 LEU 251 H -0.26 0.60 -0.11 -0.55 8.37 8.06 3mtfA1 LEU 251 HA -0.20 0.04 0.48 -0.75 4.35 3.92 3mtfA1 LEU 251 HB2 -0.29 0.08 0.18 -0.04 1.64 1.57 3mtfA1 LEU 251 HB3 -0.40 -0.03 -0.03 -0.04 1.64 1.14 3mtfA1 LEU 251 HG -0.17 -0.01 -0.02 -0.04 1.64 1.39 3mtfA1 LEU 251 HD13 -0.14 -0.01 -0.11 -0.04 0.93 0.64 3mtfA1 LEU 251 HD23 -0.17 -0.01 -0.09 -0.04 0.89 0.57 3mtfA1 TYR 252 H -0.27 0.59 0.02 -0.55 8.29 8.08 3mtfA1 TYR 252 HA -0.30 0.07 0.34 -0.75 4.56 3.92 3mtfA1 TYR 252 HB2 -0.84 0.04 0.09 -0.04 3.06 2.31 3mtfA1 TYR 252 HB3 -1.49 -0.02 -0.02 -0.04 2.98 1.41 3mtfA1 TYR 252 HD2 -0.15 0.07 0.01 -0.04 7.15 7.04 3mtfA1 TYR 252 HE2 0.04 -0.01 0.02 -0.04 6.85 6.86 3mtfA1 ASN 253 H -0.29 0.40 -0.36 -0.55 8.53 7.73 3mtfA1 ASN 253 HA -0.20 0.10 0.68 -0.75 4.76 4.58 3mtfA1 ASN 253 HB2 -0.23 0.22 0.15 -0.04 2.88 2.98 3mtfA1 ASN 253 HB3 -0.13 -0.07 -0.01 -0.04 2.79 2.53 3mtfA1 ASN 253 HD21 0.04 -0.08 0.00 -0.04 7.03 6.95 3mtfA1 ASN 253 HD22 -0.06 0.04 0.07 -0.04 7.74 7.75 3mtfA1 THR 254 H -0.17 0.42 -0.11 -0.55 8.28 7.87 3mtfA1 THR 254 HA -0.08 0.11 0.72 -0.75 4.39 4.38 3mtfA1 THR 254 HB -0.08 -0.11 0.10 -0.04 4.32 4.19 3mtfA1 THR 254 HG23 -0.12 -0.02 0.01 -0.04 1.22 1.04 3mtfA1 VAL 255 H -0.12 0.41 -0.09 -0.55 8.24 7.89 3mtfA1 VAL 255 HA -0.06 0.13 0.91 -0.75 4.13 4.36 3mtfA1 VAL 255 HB -0.12 0.15 0.04 -0.04 2.12 2.15 3mtfA1 VAL 255 HG13 -0.07 -0.01 -0.16 -0.04 0.97 0.70 3mtfA1 VAL 255 HG23 -0.10 -0.04 -0.08 -0.04 0.95 0.69 3mtfA1 MET 256 H -0.02 0.29 0.12 -0.55 8.47 8.32 3mtfA1 MET 256 HA 0.02 0.04 0.67 -0.75 4.52 4.50 3mtfA1 MET 256 HB2 0.02 -0.05 0.09 -0.04 2.15 2.17 3mtfA1 MET 256 HB3 0.01 0.32 0.24 -0.04 2.03 2.56 3mtfA1 MET 256 HG2 0.04 0.09 0.14 -0.04 2.63 2.86 3mtfA1 MET 256 HG3 0.07 -0.04 0.09 -0.04 2.56 2.63 3mtfA1 MET 256 HE3 0.06 -0.01 0.03 -0.04 2.10 2.13 3mtfA1 LEU 257 H 0.05 0.32 0.02 -0.55 8.37 8.21 3mtfA1 LEU 257 HA 0.12 0.24 0.87 -0.75 4.35 4.83 3mtfA1 LEU 257 HB2 0.06 0.09 0.08 -0.04 1.64 1.83 3mtfA1 LEU 257 HB3 0.10 -0.08 0.11 -0.04 1.64 1.72 3mtfA1 LEU 257 HG -0.06 0.04 -0.40 -0.04 1.64 1.18 3mtfA1 LEU 257 HD13 -0.35 -0.01 -0.20 -0.04 0.93 0.33 3mtfA1 LEU 257 HD23 -0.00 0.01 -0.10 -0.04 0.89 0.75 3mtfA1 ARG 258 H 0.11 0.27 -0.17 -0.55 8.46 8.13 3mtfA1 ARG 258 HA 0.11 0.17 0.83 -0.75 4.34 4.70 3mtfA1 ARG 258 HB2 0.07 0.02 0.10 -0.04 1.90 2.04 3mtfA1 ARG 258 HB3 0.06 -0.05 -0.04 -0.04 1.80 1.74 3mtfA1 ARG 258 HG2 0.09 0.04 0.10 -0.04 1.67 1.86 3mtfA1 ARG 258 HG3 0.08 0.02 -0.06 -0.04 1.67 1.68 3mtfA1 ARG 258 HD2 0.07 -0.04 -0.01 -0.04 3.22 3.20 3mtfA1 ARG 258 HD3 0.08 0.02 0.01 -0.04 3.22 3.29 3mtfA1 HIS 259 H 0.11 0.39 0.04 -0.55 8.41 8.40 3mtfA1 HIS 259 HA -0.11 0.08 0.44 -0.75 4.63 4.28 3mtfA1 HIS 259 HB2 -0.37 0.24 -0.26 -0.04 3.26 2.84 3mtfA1 HIS 259 HB3 -0.12 -0.05 -0.11 -0.04 3.20 2.88 3mtfA1 HIS 259 HD2 -0.76 0.12 0.04 -0.04 6.97 6.32 3mtfA1 HIS 259 HE1 -0.09 -0.02 -0.19 -0.04 7.75 7.42 3mtfA1 GLU 260 H -0.59 0.19 0.10 -0.55 8.60 7.76 3mtfA1 GLU 260 HA -0.05 0.08 0.30 -0.75 4.29 3.87 3mtfA1 GLU 260 HB2 -0.29 0.00 0.13 -0.04 2.09 1.89 3mtfA1 GLU 260 HB3 -0.17 0.04 -0.03 -0.04 1.99 1.79 3mtfA1 GLU 260 HG2 -0.04 0.00 0.06 -0.04 2.34 2.32 3mtfA1 GLU 260 HG3 -0.08 0.01 0.03 -0.04 2.34 2.26 3mtfA1 ASN 261 H 0.40 0.01 -0.45 -0.55 8.53 7.94 3mtfA1 ASN 261 HA 0.02 0.33 0.89 -0.75 4.76 5.25 3mtfA1 ASN 261 HB2 0.17 -0.07 0.06 -0.04 2.88 3.00 3mtfA1 ASN 261 HB3 0.02 0.08 0.23 -0.04 2.79 3.09 3mtfA1 ASN 261 HD21 -0.02 -0.09 -0.10 -0.04 7.03 6.79 3mtfA1 ASN 261 HD22 -0.02 0.51 0.01 -0.04 7.74 8.20 3mtfA1 ILE 262 H 0.14 0.55 -0.22 -0.55 8.25 8.18 3mtfA1 ILE 262 HA 0.06 0.05 0.88 -0.75 4.18 4.42 3mtfA1 ILE 262 HB 0.13 -0.01 -0.02 -0.04 1.89 1.96 3mtfA1 ILE 262 HG12 0.02 0.02 -0.03 -0.04 1.49 1.46 3mtfA1 ILE 262 HG13 0.01 -0.19 -0.47 -0.04 1.21 0.52 3mtfA1 ILE 262 HG23 0.12 0.06 -0.09 -0.04 0.93 0.98 3mtfA1 ILE 262 HD13 0.08 0.02 -0.15 -0.04 0.88 0.79 3mtfA1 LEU 263 H 0.11 0.87 0.14 -0.55 8.37 8.95 3mtfA1 LEU 263 HA 0.14 -0.06 0.26 -0.75 4.35 3.93 3mtfA1 LEU 263 HB2 0.10 -0.01 -0.13 -0.04 1.64 1.57 3mtfA1 LEU 263 HB3 0.20 -0.06 0.12 -0.04 1.64 1.86 3mtfA1 LEU 263 HG 0.07 0.05 -0.32 -0.04 1.64 1.40 3mtfA1 LEU 263 HD13 0.19 -0.00 -0.03 -0.04 0.93 1.04 3mtfA1 LEU 263 HD23 0.09 -0.04 -0.08 -0.04 0.89 0.83 3mtfA1 GLY 264 H 0.11 0.03 0.17 -0.55 8.43 8.19 3mtfA1 GLY 264 HA2 -0.03 0.17 0.54 -0.51 4.01 4.19 3mtfA1 GLY 264 HA3 -0.36 -0.02 0.35 -0.51 4.01 3.47 3mtfA1 PHE 265 H -0.11 0.25 0.24 -0.55 8.34 8.16 3mtfA1 PHE 265 HA -0.52 0.02 0.54 -0.75 4.62 3.90 3mtfA1 PHE 265 HB2 -1.83 0.01 0.10 -0.04 3.15 1.39 3mtfA1 PHE 265 HB3 -0.40 0.07 0.15 -0.04 3.06 2.84 3mtfA1 PHE 265 HD2 -0.45 -0.01 -0.17 -0.04 7.28 6.61 3mtfA1 PHE 265 HE2 -0.12 0.00 -0.21 -0.04 7.38 7.02 3mtfA1 PHE 265 HZ -0.11 -0.12 -0.13 -0.04 7.32 6.93 3mtfA1 ILE 266 H -0.80 0.62 0.42 -0.55 8.25 7.94 3mtfA1 ILE 266 HA -0.33 0.22 1.00 -0.75 4.18 4.32 3mtfA1 ILE 266 HB -0.46 -0.03 -0.14 -0.04 1.89 1.22 3mtfA1 ILE 266 HG12 -0.08 0.07 -0.18 -0.04 1.49 1.26 3mtfA1 ILE 266 HG13 -0.22 -0.11 -0.39 -0.04 1.21 0.45 3mtfA1 ILE 266 HG23 -0.65 -0.01 -0.21 -0.04 0.93 0.01 3mtfA1 ILE 266 HD13 0.02 -0.00 -0.21 -0.04 0.88 0.65 3mtfA1 ALA 267 H -0.99 0.44 0.34 -0.55 8.40 7.65 3mtfA1 ALA 267 HA -0.52 0.15 0.54 -0.75 4.34 3.76 3mtfA1 ALA 267 HB3 -0.29 0.03 -0.05 -0.04 1.41 1.05 3mtfA1 SER 268 H 0.12 0.28 0.22 -0.55 8.46 8.53 3mtfA1 SER 268 HA 0.20 0.18 0.81 -0.75 4.49 4.93 3mtfA1 SER 268 HB2 0.13 -0.01 0.19 -0.04 3.95 4.21 3mtfA1 SER 268 HB3 0.16 0.01 0.16 -0.04 3.93 4.22 3mtfA1 ASP 269 H 0.49 0.68 0.34 -0.55 8.40 9.36 3mtfA1 ASP 269 HA 0.15 0.19 0.97 -0.75 4.63 5.18 3mtfA1 ASP 269 HB2 0.08 -0.08 -0.35 -0.04 2.71 2.32 3mtfA1 ASP 269 HB3 -0.05 0.02 -0.17 -0.04 2.70 2.46 3mtfA1 MET 270 H -0.01 0.23 0.24 -0.55 8.47 8.38 3mtfA1 MET 270 HA -0.18 0.25 1.09 -0.75 4.52 4.92 3mtfA1 MET 270 HB2 -0.05 -0.02 0.12 -0.04 2.15 2.16 3mtfA1 MET 270 HB3 -0.13 0.02 0.01 -0.04 2.03 1.89 3mtfA1 MET 270 HG2 -0.28 0.03 -0.03 -0.04 2.63 2.31 3mtfA1 MET 270 HG3 0.10 -0.02 -0.08 -0.04 2.56 2.52 3mtfA1 MET 270 HE3 0.09 0.00 -0.04 -0.04 2.10 2.11 3mtfA1 THR 271 H -0.26 0.72 0.39 -0.55 8.28 8.58 3mtfA1 THR 271 HA -0.25 0.14 0.77 -0.75 4.39 4.31 3mtfA1 THR 271 HB -0.63 -0.03 -0.40 -0.04 4.32 3.22 3mtfA1 THR 271 HG23 -1.18 0.02 -0.25 -0.04 1.22 -0.24 3mtfA1 SER 272 H -0.21 0.22 0.18 -0.55 8.46 8.10 3mtfA1 SER 272 HA -0.10 0.40 0.96 -0.75 4.49 5.00 3mtfA1 SER 272 HB2 -0.09 0.01 -0.07 -0.04 3.95 3.76 3mtfA1 SER 272 HB3 -0.11 0.00 0.10 -0.04 3.93 3.88 3mtfA1 ARG 273 H -0.05 0.62 0.21 -0.55 8.46 8.69 3mtfA1 ARG 273 HA -0.19 0.08 0.49 -0.75 4.34 3.96 3mtfA1 ARG 273 HB2 0.03 0.01 -0.08 -0.04 1.90 1.82 3mtfA1 ARG 273 HB3 -0.24 0.00 -0.02 -0.04 1.80 1.50 3mtfA1 ARG 273 HG2 -0.14 0.18 0.19 -0.04 1.67 1.86 3mtfA1 ARG 273 HG3 -0.06 -0.06 -0.35 -0.04 1.67 1.16 3mtfA1 ARG 273 HD2 0.20 -0.03 -0.10 -0.04 3.22 3.25 3mtfA1 ARG 273 HD3 -0.10 -0.02 -0.02 -0.04 3.22 3.04 3mtfA1 HIS 274 H -0.37 0.18 0.10 -0.55 8.41 7.77 3mtfA1 HIS 274 HA -0.00 0.04 0.33 -0.75 4.63 4.25 3mtfA1 HIS 274 HB2 0.01 0.15 -0.00 -0.04 3.26 3.38 3mtfA1 HIS 274 HB3 0.01 0.02 0.14 -0.04 3.20 3.33 3mtfA1 HIS 274 HD2 0.01 0.02 0.02 -0.04 6.97 6.98 3mtfA1 HIS 274 HE1 -0.01 0.02 -0.07 -0.04 7.75 7.65 3mtfA1 SER 275 H -0.03 -0.01 -0.39 -0.55 8.46 7.49 3mtfA1 SER 275 HA -0.02 -0.03 0.21 -0.75 4.49 3.90 3mtfA1 SER 275 HB2 0.00 -0.01 0.10 -0.04 3.95 4.01 3mtfA1 SER 275 HB3 0.01 -0.06 -0.18 -0.04 3.93 3.65 3mtfA1 SER 276 H 0.00 0.23 -0.14 -0.55 8.46 8.01 3mtfA1 SER 276 HA -0.01 0.07 0.36 -0.75 4.49 4.15 3mtfA1 SER 276 HB2 0.01 -0.06 0.21 -0.04 3.95 4.06 3mtfA1 SER 276 HB3 0.03 0.14 -0.18 -0.04 3.93 3.88 3mtfA1 THR 277 H -0.03 0.12 0.15 -0.55 8.28 7.98 3mtfA1 THR 277 HA -0.08 0.20 0.55 -0.75 4.39 4.31 3mtfA1 THR 277 HB -0.07 -0.03 0.14 -0.04 4.32 4.32 3mtfA1 THR 277 HG23 -0.14 -0.01 -0.15 -0.04 1.22 0.87 3mtfA1 GLN 278 H -0.10 1.08 0.49 -0.55 8.47 9.39 3mtfA1 GLN 278 HA 0.04 0.17 0.90 -0.75 4.36 4.72 3mtfA1 GLN 278 HB2 0.06 -0.05 -0.05 -0.04 2.15 2.06 3mtfA1 GLN 278 HB3 0.42 0.00 -0.09 -0.04 2.02 2.32 3mtfA1 GLN 278 HG2 0.13 0.06 -0.11 -0.04 2.40 2.44 3mtfA1 GLN 278 HG3 0.08 0.04 -0.23 -0.04 2.39 2.24 3mtfA1 GLN 278 HE21 0.17 -0.03 -0.11 -0.04 6.97 6.96 3mtfA1 GLN 278 HE22 0.16 0.03 -0.11 -0.04 7.69 7.73 3mtfA1 LEU 279 H -0.01 0.22 0.13 -0.55 8.37 8.16 3mtfA1 LEU 279 HA -0.35 0.23 1.05 -0.75 4.35 4.53 3mtfA1 LEU 279 HB2 -0.42 -0.06 0.16 -0.04 1.64 1.29 3mtfA1 LEU 279 HB3 -2.24 0.05 0.05 -0.04 1.64 -0.54 3mtfA1 LEU 279 HG -0.39 -0.02 -0.07 -0.04 1.64 1.13 3mtfA1 LEU 279 HD13 -0.53 0.00 0.02 -0.04 0.93 0.38 3mtfA1 LEU 279 HD23 -1.02 0.02 -0.05 -0.04 0.89 -0.20 3mtfA1 TRP 280 H 0.34 0.67 0.34 -0.55 7.97 8.78 3mtfA1 TRP 280 HA 0.27 0.38 0.96 -0.75 4.62 5.48 3mtfA1 TRP 280 HB2 0.09 -0.04 -0.02 -0.04 3.23 3.22 3mtfA1 TRP 280 HB3 0.09 -0.01 -0.19 -0.04 3.23 3.08 3mtfA1 TRP 280 HD1 0.03 -0.09 -0.83 -0.04 7.22 6.29 3mtfA1 TRP 280 HE1 -0.05 -0.00 -0.21 -0.04 10.20 9.89 3mtfA1 TRP 280 HE3 -0.04 -0.05 -0.19 -0.04 7.59 7.26 3mtfA1 TRP 280 HZ2 -0.16 -0.01 -0.13 -0.04 7.44 7.10 3mtfA1 TRP 280 HZ3 -0.06 0.05 -0.09 -0.04 7.13 6.98 3mtfA1 TRP 280 HH2 -0.12 0.06 -0.09 -0.04 7.19 7.00 3mtfA1 LEU 281 H 0.39 0.57 0.34 -0.55 8.37 9.12 3mtfA1 LEU 281 HA 0.27 0.17 0.98 -0.75 4.35 5.02 3mtfA1 LEU 281 HB2 0.59 0.00 0.04 -0.04 1.64 2.23 3mtfA1 LEU 281 HB3 0.37 -0.08 0.19 -0.04 1.64 2.08 3mtfA1 LEU 281 HG 0.13 0.09 -0.12 -0.04 1.64 1.70 3mtfA1 LEU 281 HD13 0.23 0.01 0.02 -0.04 0.93 1.14 3mtfA1 LEU 281 HD23 0.27 -0.03 -0.07 -0.04 0.89 1.03 3mtfA1 ILE 282 H -0.10 0.80 0.35 -0.55 8.25 8.76 3mtfA1 ILE 282 HA -0.05 0.33 1.13 -0.75 4.18 4.83 3mtfA1 ILE 282 HB -0.31 -0.10 0.13 -0.04 1.89 1.57 3mtfA1 ILE 282 HG12 0.03 0.04 -0.20 -0.04 1.49 1.31 3mtfA1 ILE 282 HG13 0.11 -0.03 -0.43 -0.04 1.21 0.81 3mtfA1 ILE 282 HG23 -0.22 0.02 -0.14 -0.04 0.93 0.55 3mtfA1 ILE 282 HD13 0.07 -0.00 -0.31 -0.04 0.88 0.60 3mtfA1 THR 283 H -0.06 0.65 0.35 -0.55 8.28 8.67 3mtfA1 THR 283 HA -0.26 0.11 0.91 -0.75 4.39 4.40 3mtfA1 THR 283 HB -0.08 0.13 0.08 -0.04 4.32 4.41 3mtfA1 THR 283 HG23 -0.04 -0.03 -0.29 -0.04 1.22 0.82 3mtfA1 HIS 284 H -0.25 0.55 0.20 -0.55 8.41 8.37 3mtfA1 HIS 284 HA -0.02 0.09 0.64 -0.75 4.63 4.60 3mtfA1 HIS 284 HB2 -0.04 -0.10 0.04 -0.04 3.26 3.13 3mtfA1 HIS 284 HB3 -0.20 0.04 -0.01 -0.04 3.20 2.98 3mtfA1 HIS 284 HD2 0.01 -0.01 -0.04 -0.04 6.97 6.89 3mtfA1 HIS 284 HE1 0.05 0.01 -0.01 -0.04 7.75 7.76 3mtfA1 TYR 285 H 0.08 0.27 0.12 -0.55 8.29 8.21 3mtfA1 TYR 285 HA -0.04 0.11 0.62 -0.75 4.56 4.50 3mtfA1 TYR 285 HB2 0.00 -0.11 -0.47 -0.04 3.06 2.43 3mtfA1 TYR 285 HB3 -0.03 0.07 -0.11 -0.04 2.98 2.87 3mtfA1 TYR 285 HD2 0.00 -0.02 -0.23 -0.04 7.15 6.86 3mtfA1 TYR 285 HE2 0.02 -0.01 -0.12 -0.04 6.85 6.70 3mtfA1 HIS 286 H -0.43 0.20 0.01 -0.55 8.41 7.65 3mtfA1 HIS 286 HA -0.13 0.15 0.99 -0.75 4.63 4.89 3mtfA1 HIS 286 HB2 -0.16 -0.03 0.05 -0.04 3.26 3.08 3mtfA1 HIS 286 HB3 -0.12 0.24 -0.02 -0.04 3.20 3.25 3mtfA1 HIS 286 HD2 -0.02 0.03 -0.22 -0.04 6.97 6.71 3mtfA1 HIS 286 HE1 0.03 0.02 -0.11 -0.04 7.75 7.65 3mtfA1 GLU 287 H -0.04 0.20 0.07 -0.55 8.60 8.28 3mtfA1 GLU 287 HA -0.09 0.07 0.17 -0.75 4.29 3.69 3mtfA1 GLU 287 HB2 0.15 0.05 0.07 -0.04 2.09 2.32 3mtfA1 GLU 287 HB3 0.23 -0.00 0.06 -0.04 1.99 2.24 3mtfA1 GLU 287 HG2 0.05 -0.08 0.08 -0.04 2.34 2.34 3mtfA1 GLU 287 HG3 0.05 0.07 -0.17 -0.04 2.34 2.26 3mtfA1 MET 288 H -0.01 0.07 -0.25 -0.55 8.47 7.73 3mtfA1 MET 288 HA 0.06 0.09 0.48 -0.75 4.52 4.40 3mtfA1 MET 288 HB2 -0.11 0.25 -0.13 -0.04 2.15 2.12 3mtfA1 MET 288 HB3 -0.03 -0.00 -0.01 -0.04 2.03 1.95 3mtfA1 MET 288 HG2 -0.01 -0.14 -0.20 -0.04 2.63 2.24 3mtfA1 MET 288 HG3 -0.05 0.08 -0.24 -0.04 2.56 2.30 3mtfA1 MET 288 HE3 0.19 0.02 -0.04 -0.04 2.10 2.23 3mtfA1 GLY 289 H -0.07 0.30 -0.32 -0.55 8.43 7.79 3mtfA1 GLY 289 HA2 -0.06 0.03 0.27 -0.51 4.01 3.75 3mtfA1 GLY 289 HA3 0.01 0.07 0.26 -0.51 4.01 3.84 3mtfA1 SER 290 H 0.03 0.08 0.20 -0.55 8.46 8.22 3mtfA1 SER 290 HA -0.01 0.19 0.70 -0.75 4.49 4.61 3mtfA1 SER 290 HB2 0.05 0.13 0.26 -0.04 3.95 4.35 3mtfA1 SER 290 HB3 0.03 0.06 0.16 -0.04 3.93 4.14 3mtfA1 LEU 291 H 0.02 0.82 0.37 -0.55 8.37 9.04 3mtfA1 LEU 291 HA 0.02 0.08 0.25 -0.75 4.35 3.95 3mtfA1 LEU 291 HB2 0.00 0.01 -0.01 -0.04 1.64 1.59 3mtfA1 LEU 291 HB3 0.07 0.05 0.18 -0.04 1.64 1.90 3mtfA1 LEU 291 HG 0.08 -0.00 -0.20 -0.04 1.64 1.48 3mtfA1 LEU 291 HD13 0.05 0.00 -0.05 -0.04 0.93 0.89 3mtfA1 LEU 291 HD23 0.08 -0.01 -0.08 -0.04 0.89 0.84 3mtfA1 TYR 292 H 0.17 0.29 -0.20 -0.55 8.29 8.00 3mtfA1 TYR 292 HA -0.17 0.09 0.34 -0.75 4.56 4.07 3mtfA1 TYR 292 HB2 0.03 -0.16 -0.26 -0.04 3.06 2.64 3mtfA1 TYR 292 HB3 -0.01 -0.03 -0.03 -0.04 2.98 2.86 3mtfA1 TYR 292 HD2 0.08 -0.03 -0.10 -0.04 7.15 7.06 3mtfA1 TYR 292 HE2 0.20 0.02 -0.06 -0.04 6.85 6.97 3mtfA1 ASP 293 H 0.10 0.06 -0.28 -0.55 8.40 7.74 3mtfA1 ASP 293 HA -0.16 0.06 0.35 -0.75 4.63 4.13 3mtfA1 ASP 293 HB2 0.05 0.06 0.13 -0.04 2.71 2.92 3mtfA1 ASP 293 HB3 0.02 0.07 -0.02 -0.04 2.70 2.72 3mtfA1 TYR 294 H 0.09 0.43 -0.23 -0.55 8.29 8.03 3mtfA1 TYR 294 HA -0.07 0.04 0.34 -0.75 4.56 4.12 3mtfA1 TYR 294 HB2 -0.05 0.16 -0.01 -0.04 3.06 3.13 3mtfA1 TYR 294 HB3 -0.06 -0.01 0.11 -0.04 2.98 2.97 3mtfA1 TYR 294 HD2 -0.04 0.06 -0.11 -0.04 7.15 7.01 3mtfA1 TYR 294 HE2 -0.03 -0.03 -0.10 -0.04 6.85 6.65 3mtfA1 LEU 295 H -0.02 0.64 -0.01 -0.55 8.37 8.44 3mtfA1 LEU 295 HA -0.10 0.09 0.43 -0.75 4.35 4.01 3mtfA1 LEU 295 HB2 -0.37 0.04 0.06 -0.04 1.64 1.33 3mtfA1 LEU 295 HB3 -0.03 0.01 0.02 -0.04 1.64 1.60 3mtfA1 LEU 295 HG 0.05 0.09 0.03 -0.04 1.64 1.77 3mtfA1 LEU 295 HD13 0.13 0.01 -0.19 -0.04 0.93 0.84 3mtfA1 LEU 295 HD23 0.06 -0.01 -0.01 -0.04 0.89 0.89 3mtfA1 GLN 296 H -0.33 0.22 -0.58 -0.55 8.47 7.24 3mtfA1 GLN 296 HA -0.13 0.04 0.66 -0.75 4.36 4.17 3mtfA1 GLN 296 HB2 -0.26 0.16 0.14 -0.04 2.15 2.16 3mtfA1 GLN 296 HB3 -0.14 -0.07 0.05 -0.04 2.02 1.82 3mtfA1 GLN 296 HG2 -0.12 -0.03 0.02 -0.04 2.40 2.23 3mtfA1 GLN 296 HG3 -0.80 0.03 -0.03 -0.04 2.39 1.55 3mtfA1 GLN 296 HE21 -0.68 -0.14 -0.11 -0.04 6.97 6.00 3mtfA1 GLN 296 HE22 -1.01 0.44 -0.12 -0.04 7.69 6.96 3mtfA1 LEU 297 H -0.20 0.38 -0.09 -0.55 8.37 7.92 3mtfA1 LEU 297 HA -0.11 0.09 0.67 -0.75 4.35 4.24 3mtfA1 LEU 297 HB2 -0.18 0.05 0.08 -0.04 1.64 1.54 3mtfA1 LEU 297 HB3 -0.11 -0.09 0.13 -0.04 1.64 1.53 3mtfA1 LEU 297 HG -0.10 0.22 0.04 -0.04 1.64 1.76 3mtfA1 LEU 297 HD13 -0.02 -0.03 -0.04 -0.04 0.93 0.80 3mtfA1 LEU 297 HD23 -0.06 -0.01 -0.06 -0.04 0.89 0.72 3mtfA1 THR 298 H -0.26 0.41 -0.16 -0.55 8.28 7.73 3mtfA1 THR 298 HA -0.16 0.04 0.60 -0.75 4.39 4.12 3mtfA1 THR 298 HB -0.30 0.01 -0.10 -0.04 4.32 3.88 3mtfA1 THR 298 HG23 -0.74 0.02 -0.15 -0.04 1.22 0.30 3mtfA1 THR 299 H -0.10 0.03 0.13 -0.55 8.28 7.79 3mtfA1 THR 299 HA -0.08 0.30 0.95 -0.75 4.39 4.80 3mtfA1 THR 299 HB -0.06 0.06 0.14 -0.04 4.32 4.42 3mtfA1 THR 299 HG23 -0.06 0.01 -0.03 -0.04 1.22 1.10 3mtfA1 LEU 300 H -0.07 0.83 0.38 -0.55 8.37 8.97 3mtfA1 LEU 300 HA -0.03 0.11 0.93 -0.75 4.35 4.61 3mtfA1 LEU 300 HB2 -0.07 -0.02 -0.10 -0.04 1.64 1.41 3mtfA1 LEU 300 HB3 -0.03 -0.11 -0.07 -0.04 1.64 1.40 3mtfA1 LEU 300 HG -0.04 0.12 -0.29 -0.04 1.64 1.39 3mtfA1 LEU 300 HD13 -0.02 -0.01 -0.17 -0.04 0.93 0.69 3mtfA1 LEU 300 HD23 0.08 0.03 -0.26 -0.04 0.89 0.70 3mtfA1 ASP 301 H -0.03 0.10 0.17 -0.55 8.40 8.09 3mtfA1 ASP 301 HA -0.05 0.29 0.93 -0.75 4.63 5.04 3mtfA1 ASP 301 HB2 -0.03 -0.04 0.25 -0.04 2.71 2.85 3mtfA1 ASP 301 HB3 -0.03 0.12 0.12 -0.04 2.70 2.87 3mtfA1 THR 302 H -0.05 0.21 0.19 -0.55 8.28 8.08 3mtfA1 THR 302 HA -0.08 0.13 0.39 -0.75 4.39 4.07 3mtfA1 THR 302 HB -0.04 -0.02 0.17 -0.04 4.32 4.38 3mtfA1 THR 302 HG23 -0.06 0.02 -0.02 -0.04 1.22 1.11 3mtfA1 VAL 303 H -0.03 0.09 -0.07 -0.55 8.24 7.67 3mtfA1 VAL 303 HA -0.03 0.14 0.34 -0.75 4.13 3.82 3mtfA1 VAL 303 HB -0.02 -0.04 0.08 -0.04 2.12 2.10 3mtfA1 VAL 303 HG13 -0.02 0.03 -0.08 -0.04 0.97 0.86 3mtfA1 VAL 303 HG23 -0.02 0.02 0.05 -0.04 0.95 0.95 3mtfA1 SER 304 H -0.03 0.04 -0.34 -0.55 8.46 7.59 3mtfA1 SER 304 HA -0.01 0.11 0.27 -0.75 4.49 4.11 3mtfA1 SER 304 HB2 -0.01 -0.10 0.14 -0.04 3.95 3.93 3mtfA1 SER 304 HB3 0.02 0.11 -0.07 -0.04 3.93 3.95 3mtfA1 CYS 305 H -0.05 0.46 -0.20 -0.55 8.50 8.16 3mtfA1 CYS 305 HA -0.04 0.08 0.44 -0.75 4.58 4.30 3mtfA1 CYS 305 HB2 -0.09 0.04 -0.03 -0.04 2.97 2.84 3mtfA1 CYS 305 HB3 -0.10 0.07 0.10 -0.04 2.97 3.01 3mtfA1 LEU 306 H -0.05 0.48 -0.12 -0.55 8.37 8.13 3mtfA1 LEU 306 HA -0.05 0.01 0.35 -0.75 4.35 3.91 3mtfA1 LEU 306 HB2 -0.04 0.06 0.12 -0.04 1.64 1.74 3mtfA1 LEU 306 HB3 -0.03 0.05 -0.04 -0.04 1.64 1.58 3mtfA1 LEU 306 HG -0.07 0.05 0.07 -0.04 1.64 1.65 3mtfA1 LEU 306 HD13 -0.04 0.00 -0.03 -0.04 0.93 0.82 3mtfA1 LEU 306 HD23 -0.07 -0.01 0.01 -0.04 0.89 0.78 3mtfA1 ARG 307 H -0.03 0.54 -0.09 -0.55 8.46 8.32 3mtfA1 ARG 307 HA -0.02 -0.00 0.49 -0.75 4.34 4.06 3mtfA1 ARG 307 HB2 -0.02 0.20 0.15 -0.04 1.90 2.19 3mtfA1 ARG 307 HB3 -0.02 0.17 0.02 -0.04 1.80 1.92 3mtfA1 ARG 307 HG2 -0.03 -0.06 -0.26 -0.04 1.67 1.28 3mtfA1 ARG 307 HG3 -0.02 -0.05 -0.02 -0.04 1.67 1.55 3mtfA1 ARG 307 HD2 -0.02 0.00 -0.05 -0.04 3.22 3.11 3mtfA1 ARG 307 HD3 -0.03 0.04 -0.11 -0.04 3.22 3.08 3mtfA1 ILE 308 H -0.02 0.46 -0.28 -0.55 8.25 7.86 3mtfA1 ILE 308 HA -0.03 -0.01 0.45 -0.75 4.18 3.83 3mtfA1 ILE 308 HB -0.01 0.13 0.19 -0.04 1.89 2.17 3mtfA1 ILE 308 HG12 -0.06 -0.10 -0.04 -0.04 1.49 1.25 3mtfA1 ILE 308 HG13 -0.03 0.15 0.07 -0.04 1.21 1.35 3mtfA1 ILE 308 HG23 0.02 -0.03 -0.14 -0.04 0.93 0.73 3mtfA1 ILE 308 HD13 0.06 -0.00 -0.07 -0.04 0.88 0.83 3mtfA1 VAL 309 H -0.01 0.58 -0.07 -0.55 8.24 8.19 3mtfA1 VAL 309 HA 0.11 0.00 0.22 -0.75 4.13 3.70 3mtfA1 VAL 309 HB -0.01 -0.05 0.07 -0.04 2.12 2.09 3mtfA1 VAL 309 HG13 -0.04 0.04 0.02 -0.04 0.97 0.95 3mtfA1 VAL 309 HG23 -0.05 0.05 0.08 -0.04 0.95 1.00 3mtfA1 LEU 310 H 0.01 0.77 -0.11 -0.55 8.37 8.50 3mtfA1 LEU 310 HA 0.05 -0.00 0.31 -0.75 4.35 3.95 3mtfA1 LEU 310 HB2 0.00 0.07 0.02 -0.04 1.64 1.70 3mtfA1 LEU 310 HB3 0.00 0.07 0.06 -0.04 1.64 1.74 3mtfA1 LEU 310 HG 0.01 -0.08 -0.15 -0.04 1.64 1.39 3mtfA1 LEU 310 HD13 0.03 -0.04 0.02 -0.04 0.93 0.90 3mtfA1 LEU 310 HD23 0.00 0.02 -0.12 -0.04 0.89 0.75 3mtfA1 SER 311 H 0.01 0.52 -0.27 -0.55 8.46 8.17 3mtfA1 SER 311 HA 0.01 0.01 0.48 -0.75 4.49 4.24 3mtfA1 SER 311 HB2 -0.02 0.04 0.16 -0.04 3.95 4.09 3mtfA1 SER 311 HB3 -0.02 0.07 0.14 -0.04 3.93 4.08 3mtfA1 ILE 312 H 0.02 0.53 -0.13 -0.55 8.25 8.12 3mtfA1 ILE 312 HA -0.10 0.03 0.36 -0.75 4.18 3.72 3mtfA1 ILE 312 HB 0.17 0.15 0.12 -0.04 1.89 2.29 3mtfA1 ILE 312 HG12 -0.02 -0.07 -0.07 -0.04 1.49 1.29 3mtfA1 ILE 312 HG13 0.02 0.23 0.05 -0.04 1.21 1.47 3mtfA1 ILE 312 HG23 -0.32 -0.03 -0.10 -0.04 0.93 0.45 3mtfA1 ILE 312 HD13 0.12 -0.02 -0.13 -0.04 0.88 0.81 3mtfA1 ALA 313 H 0.07 0.55 -0.22 -0.55 8.40 8.26 3mtfA1 ALA 313 HA -0.33 -0.02 0.17 -0.75 4.34 3.41 3mtfA1 ALA 313 HB3 0.23 0.04 0.02 -0.04 1.41 1.66 3mtfA1 SER 314 H -0.01 0.45 -0.37 -0.55 8.46 7.98 3mtfA1 SER 314 HA 0.01 0.00 0.47 -0.75 4.49 4.22 3mtfA1 SER 314 HB2 0.06 0.00 0.16 -0.04 3.95 4.13 3mtfA1 SER 314 HB3 0.11 0.00 0.01 -0.04 3.93 4.00 3mtfA1 GLY 315 H -0.04 0.69 0.00 -0.55 8.43 8.54 3mtfA1 GLY 315 HA2 -0.20 -0.05 0.40 -0.51 4.01 3.65 3mtfA1 GLY 315 HA3 -0.09 0.18 0.31 -0.51 4.01 3.90 3mtfA1 LEU 316 H -0.23 0.52 -0.27 -0.55 8.37 7.84 3mtfA1 LEU 316 HA -0.25 0.06 0.36 -0.75 4.35 3.76 3mtfA1 LEU 316 HB2 -0.48 0.08 0.05 -0.04 1.64 1.25 3mtfA1 LEU 316 HB3 -0.43 0.03 0.08 -0.04 1.64 1.28 3mtfA1 LEU 316 HG -0.82 -0.05 -0.08 -0.04 1.64 0.64 3mtfA1 LEU 316 HD13 -0.29 -0.01 0.05 -0.04 0.93 0.64 3mtfA1 LEU 316 HD23 -0.40 -0.01 -0.08 -0.04 0.89 0.35 3mtfA1 ALA 317 H -0.14 0.63 -0.06 -0.55 8.40 8.28 3mtfA1 ALA 317 HA -0.05 -0.12 0.39 -0.75 4.34 3.81 3mtfA1 ALA 317 HB3 -0.01 0.02 0.04 -0.04 1.41 1.42 3mtfA1 HIS 318 H -0.04 0.52 -0.27 -0.55 8.41 8.07 3mtfA1 HIS 318 HA -0.10 -0.01 0.28 -0.75 4.63 4.05 3mtfA1 HIS 318 HB2 -0.42 -0.03 0.09 -0.04 3.26 2.86 3mtfA1 HIS 318 HB3 -0.44 0.16 0.09 -0.04 3.20 2.96 3mtfA1 HIS 318 HD2 -0.03 -0.07 0.01 -0.04 6.97 6.84 3mtfA1 HIS 318 HE1 0.02 0.09 -0.05 -0.04 7.75 7.76 3mtfA1 LEU 319 H -0.07 0.27 -0.35 -0.55 8.37 7.67 3mtfA1 LEU 319 HA -0.06 0.06 0.36 -0.75 4.35 3.95 3mtfA1 LEU 319 HB2 -0.04 0.04 0.21 -0.04 1.64 1.81 3mtfA1 LEU 319 HB3 0.10 0.07 -0.02 -0.04 1.64 1.75 3mtfA1 LEU 319 HG -0.01 0.09 -0.02 -0.04 1.64 1.67 3mtfA1 LEU 319 HD13 0.05 -0.06 -0.11 -0.04 0.93 0.77 3mtfA1 LEU 319 HD23 -0.01 -0.01 -0.10 -0.04 0.89 0.73 3mtfA1 HIS 320 H 0.07 0.41 -0.06 -0.55 8.41 8.29 3mtfA1 HIS 320 HA 0.13 0.07 0.26 -0.75 4.63 4.34 3mtfA1 HIS 320 HB2 0.01 0.09 0.22 -0.04 3.26 3.54 3mtfA1 HIS 320 HB3 0.05 -0.14 0.05 -0.04 3.20 3.12 3mtfA1 HIS 320 HD2 0.05 0.39 0.12 -0.04 6.97 7.48 3mtfA1 HIS 320 HE1 0.03 0.11 0.12 -0.04 7.75 7.97 3mtfA1 ILE 321 H 0.00 0.41 -0.34 -0.55 8.25 7.77 3mtfA1 ILE 321 HA 0.01 -0.06 0.54 -0.75 4.18 3.91 3mtfA1 ILE 321 HB -0.07 0.13 0.05 -0.04 1.89 1.97 3mtfA1 ILE 321 HG12 0.01 -0.05 -0.01 -0.04 1.49 1.40 3mtfA1 ILE 321 HG13 0.05 -0.07 -0.06 -0.04 1.21 1.08 3mtfA1 ILE 321 HG23 -0.08 -0.03 -0.26 -0.04 0.93 0.52 3mtfA1 ILE 321 HD13 0.02 -0.03 -0.08 -0.04 0.88 0.74 3mtfA1 GLU 322 H -0.10 0.02 0.19 -0.55 8.60 8.16 3mtfA1 GLU 322 HA -0.20 0.33 0.43 -0.75 4.29 4.10 3mtfA1 GLU 322 HB2 -0.17 -0.10 0.19 -0.04 2.09 1.97 3mtfA1 GLU 322 HB3 -0.27 -0.08 0.17 -0.04 1.99 1.77 3mtfA1 GLU 322 HG2 -0.82 -0.06 -0.30 -0.04 2.34 1.12 3mtfA1 GLU 322 HG3 -0.27 0.38 0.20 -0.04 2.34 2.61 3mtfA1 ILE 323 H -0.22 0.65 0.32 -0.55 8.25 8.45 3mtfA1 ILE 323 HA -0.25 0.08 0.90 -0.75 4.18 4.16 3mtfA1 ILE 323 HB -0.10 -0.03 0.15 -0.04 1.89 1.87 3mtfA1 ILE 323 HG12 -0.10 -0.05 -0.14 -0.04 1.49 1.16 3mtfA1 ILE 323 HG13 -0.19 0.20 -0.24 -0.04 1.21 0.94 3mtfA1 ILE 323 HG23 -0.01 0.02 0.00 -0.04 0.93 0.90 3mtfA1 ILE 323 HD13 -0.06 -0.00 -0.02 -0.04 0.88 0.76 3mtfA1 PHE 324 H -0.06 0.12 0.16 -0.55 8.34 8.01 3mtfA1 PHE 324 HA -0.02 0.18 0.74 -0.75 4.62 4.76 3mtfA1 PHE 324 HB2 -0.00 0.01 0.11 -0.04 3.15 3.22 3mtfA1 PHE 324 HB3 -0.01 -0.02 0.12 -0.04 3.06 3.11 3mtfA1 PHE 324 HD2 -0.02 0.02 0.03 -0.04 7.28 7.27 3mtfA1 PHE 324 HE2 -0.02 -0.06 0.01 -0.04 7.38 7.27 3mtfA1 PHE 324 HZ -0.01 -0.04 0.01 -0.04 7.32 7.23 3mtfA1 GLY 325 H 0.19 0.17 0.19 -0.55 8.43 8.44 3mtfA1 GLY 325 HA2 0.06 0.06 0.29 -0.51 4.01 3.91 3mtfA1 GLY 325 HA3 0.07 0.08 0.36 -0.51 4.01 4.02 3mtfA1 THR 326 H 0.03 0.15 0.20 -0.55 8.28 8.11 3mtfA1 THR 326 HA 0.02 0.17 0.53 -0.75 4.39 4.35 3mtfA1 THR 326 HB 0.02 -0.02 0.11 -0.04 4.32 4.38 3mtfA1 THR 326 HG23 0.02 0.00 0.03 -0.04 1.22 1.23 3mtfA1 GLN 327 H 0.04 0.01 -0.13 -0.55 8.47 7.83 3mtfA1 GLN 327 HA 0.03 0.18 0.67 -0.75 4.36 4.48 3mtfA1 GLN 327 HB2 0.04 0.03 0.06 -0.04 2.15 2.24 3mtfA1 GLN 327 HB3 0.03 -0.07 0.03 -0.04 2.02 1.98 3mtfA1 GLN 327 HG2 0.04 -0.10 0.12 -0.04 2.40 2.43 3mtfA1 GLN 327 HG3 0.04 0.08 -0.17 -0.04 2.39 2.29 3mtfA1 GLN 327 HE21 0.04 -0.04 0.01 -0.04 6.97 6.94 3mtfA1 GLN 327 HE22 0.04 0.03 -0.01 -0.04 7.69 7.71 3mtfA1 GLY 328 H 0.03 0.03 -0.49 -0.55 8.43 7.45 3mtfA1 GLY 328 HA2 0.00 0.07 -0.07 -0.51 4.01 3.51 3mtfA1 GLY 328 HA3 -0.01 0.04 -0.04 -0.51 4.01 3.49 3mtfA1 LYS 329 H -0.08 0.58 0.31 -0.55 8.42 8.68 3mtfA1 LYS 329 HA -0.06 0.07 0.79 -0.75 4.32 4.36 3mtfA1 LYS 329 HB2 -0.10 0.08 0.06 -0.04 1.87 1.87 3mtfA1 LYS 329 HB3 -0.06 0.17 -0.23 -0.04 1.79 1.64 3mtfA1 LYS 329 HG2 -0.14 -0.22 0.05 -0.04 1.46 1.10 3mtfA1 LYS 329 HG3 -0.18 0.03 0.04 -0.04 1.46 1.30 3mtfA1 LYS 329 HD2 -0.20 0.00 -0.01 -0.04 1.69 1.44 3mtfA1 LYS 329 HD3 -0.60 -0.05 0.04 -0.04 1.68 1.03 3mtfA1 LYS 329 HE2 -0.15 -0.06 -0.01 -0.04 2.99 2.73 3mtfA1 LYS 329 HE3 -0.30 -0.15 -0.04 -0.04 2.99 2.46 3mtfA1 PRO 330 HA -0.14 -0.06 0.84 -0.51 4.44 4.57 3mtfA1 PRO 330 HB2 -0.15 0.16 0.10 -0.04 2.28 2.35 3mtfA1 PRO 330 HB3 -0.12 -0.12 0.12 -0.04 2.02 1.86 3mtfA1 PRO 330 HG2 -0.10 0.08 -0.03 -0.04 2.03 1.94 3mtfA1 PRO 330 HG3 -0.09 0.00 0.02 -0.04 2.03 1.92 3mtfA1 PRO 330 HD2 -0.09 0.13 0.24 -0.04 3.68 3.93 3mtfA1 PRO 330 HD3 -0.07 0.11 0.17 -0.04 3.65 3.81 3mtfA1 ALA 331 H -0.18 0.15 0.32 -0.55 8.40 8.14 3mtfA1 ALA 331 HA -0.06 0.28 0.32 -0.75 4.34 4.12 3mtfA1 ALA 331 HB3 -0.23 -0.05 0.12 -0.04 1.41 1.20 3mtfA1 ILE 332 H 0.13 0.77 0.21 -0.55 8.25 8.81 3mtfA1 ILE 332 HA 0.14 0.30 1.06 -0.75 4.18 4.92 3mtfA1 ILE 332 HB 0.03 0.03 0.08 -0.04 1.89 1.99 3mtfA1 ILE 332 HG12 -0.05 -0.04 -0.18 -0.04 1.49 1.17 3mtfA1 ILE 332 HG13 -0.06 0.09 -0.70 -0.04 1.21 0.50 3mtfA1 ILE 332 HG23 0.01 -0.05 -0.25 -0.04 0.93 0.60 3mtfA1 ILE 332 HD13 -0.09 -0.02 -0.09 -0.04 0.88 0.63 3mtfA1 ALA 333 H 0.29 0.53 0.20 -0.55 8.40 8.88 3mtfA1 ALA 333 HA 0.21 0.14 0.82 -0.75 4.34 4.76 3mtfA1 ALA 333 HB3 -0.12 0.00 -0.10 -0.04 1.41 1.15 3mtfA1 HIS 334 H 0.26 0.07 0.08 -0.55 8.41 8.27 3mtfA1 HIS 334 HA 0.02 0.17 0.36 -0.75 4.63 4.43 3mtfA1 HIS 334 HB2 0.02 0.09 0.03 -0.04 3.26 3.36 3mtfA1 HIS 334 HB3 0.05 -0.15 0.12 -0.04 3.20 3.18 3mtfA1 HIS 334 HD2 -0.03 0.00 -0.16 -0.04 6.97 6.74 3mtfA1 HIS 334 HE1 -0.01 0.10 -0.14 -0.04 7.75 7.65 3mtfA1 ARG 335 H 0.24 0.04 0.04 -0.55 8.46 8.22 3mtfA1 ARG 335 HA 0.18 -0.00 0.26 -0.75 4.34 4.02 3mtfA1 ARG 335 HB2 0.03 0.37 -0.04 -0.04 1.90 2.23 3mtfA1 ARG 335 HB3 0.10 -0.04 0.09 -0.04 1.80 1.91 3mtfA1 ARG 335 HG2 0.20 -0.07 -0.09 -0.04 1.67 1.66 3mtfA1 ARG 335 HG3 0.06 -0.17 -0.66 -0.04 1.67 0.85 3mtfA1 ARG 335 HD2 -0.39 -0.11 -0.12 -0.04 3.22 2.55 3mtfA1 ARG 335 HD3 -0.11 0.55 -0.12 -0.04 3.22 3.50 3mtfA1 ASP 336 H 0.75 0.08 -0.51 -0.55 8.40 8.17 3mtfA1 ASP 336 HA 0.14 0.13 0.38 -0.75 4.63 4.53 3mtfA1 ASP 336 HB2 0.10 0.11 -0.20 -0.04 2.71 2.68 3mtfA1 ASP 336 HB3 0.16 0.04 0.03 -0.04 2.70 2.89 3mtfA1 LEU 337 H 0.10 0.08 -0.06 -0.55 8.37 7.94 3mtfA1 LEU 337 HA -0.38 0.11 0.31 -0.75 4.35 3.64 3mtfA1 LEU 337 HB2 -0.16 -0.12 0.09 -0.04 1.64 1.41 3mtfA1 LEU 337 HB3 0.03 0.05 0.05 -0.04 1.64 1.73 3mtfA1 LEU 337 HG -0.06 0.02 -0.12 -0.04 1.64 1.43 3mtfA1 LEU 337 HD13 -0.38 0.01 0.00 -0.04 0.93 0.52 3mtfA1 LEU 337 HD23 -0.12 0.01 -0.04 -0.04 0.89 0.70 3mtfA1 LYS 338 H -0.16 0.33 0.20 -0.55 8.42 8.25 3mtfA1 LYS 338 HA -0.29 0.16 0.25 -0.75 4.32 3.69 3mtfA1 LYS 338 HB2 -0.90 -0.13 0.12 -0.04 1.87 0.93 3mtfA1 LYS 338 HB3 -1.19 0.28 0.12 -0.04 1.79 0.96 3mtfA1 LYS 338 HG2 -0.19 0.35 -0.32 -0.04 1.46 1.26 3mtfA1 LYS 338 HG3 -0.17 -0.28 -0.19 -0.04 1.46 0.78 3mtfA1 LYS 338 HD2 -0.19 -0.06 -0.05 -0.04 1.69 1.35 3mtfA1 LYS 338 HD3 -0.21 0.02 -0.09 -0.04 1.68 1.36 3mtfA1 LYS 338 HE2 -0.05 0.11 -0.09 -0.04 2.99 2.92 3mtfA1 LYS 338 HE3 -0.08 -0.08 -0.12 -0.04 2.99 2.67 3mtfA1 SER 339 H 0.14 0.24 0.12 -0.55 8.46 8.41 3mtfA1 SER 339 HA 0.10 0.13 0.26 -0.75 4.49 4.23 3mtfA1 SER 339 HB2 0.23 -0.04 -0.04 -0.04 3.95 4.06 3mtfA1 SER 339 HB3 0.28 0.12 0.05 -0.04 3.93 4.34 3mtfA1 LYS 340 H -0.01 0.10 -0.15 -0.55 8.42 7.81 3mtfA1 LYS 340 HA 0.02 0.03 0.63 -0.75 4.32 4.24 3mtfA1 LYS 340 HB2 -0.10 0.00 0.02 -0.04 1.87 1.75 3mtfA1 LYS 340 HB3 -0.08 0.04 0.02 -0.04 1.79 1.73 3mtfA1 LYS 340 HG2 -0.29 0.00 0.04 -0.04 1.46 1.18 3mtfA1 LYS 340 HG3 -0.49 -0.03 0.02 -0.04 1.46 0.91 3mtfA1 LYS 340 HD2 -0.17 -0.01 0.00 -0.04 1.69 1.47 3mtfA1 LYS 340 HD3 -0.14 0.01 0.01 -0.04 1.68 1.52 3mtfA1 LYS 340 HE2 -0.38 0.03 0.01 -0.04 2.99 2.61 3mtfA1 LYS 340 HE3 -1.20 0.01 -0.01 -0.04 2.99 1.75 3mtfA1 ASN 341 H -0.05 0.38 -0.43 -0.55 8.53 7.89 3mtfA1 ASN 341 HA -0.02 0.13 0.73 -0.75 4.76 4.84 3mtfA1 ASN 341 HB2 -0.06 -0.02 0.13 -0.04 2.88 2.89 3mtfA1 ASN 341 HB3 0.04 0.19 0.23 -0.04 2.79 3.21 3mtfA1 ASN 341 HD21 0.02 -0.13 -0.03 -0.04 7.03 6.84 3mtfA1 ASN 341 HD22 0.07 0.64 0.12 -0.04 7.74 8.53 3mtfA1 ILE 342 H -0.01 0.31 -0.34 -0.55 8.25 7.66 3mtfA1 ILE 342 HA -0.04 0.23 0.79 -0.75 4.18 4.41 3mtfA1 ILE 342 HB 0.00 -0.06 0.14 -0.04 1.89 1.93 3mtfA1 ILE 342 HG12 -0.07 0.04 -0.00 -0.04 1.49 1.42 3mtfA1 ILE 342 HG13 -0.05 0.02 -0.38 -0.04 1.21 0.76 3mtfA1 ILE 342 HG23 -0.04 0.03 -0.13 -0.04 0.93 0.74 3mtfA1 ILE 342 HD13 0.02 -0.03 -0.13 -0.04 0.88 0.69 3mtfA1 LEU 343 H -0.08 0.57 0.21 -0.55 8.37 8.52 3mtfA1 LEU 343 HA -0.07 0.15 0.92 -0.75 4.35 4.60 3mtfA1 LEU 343 HB2 -0.20 -0.03 -0.05 -0.04 1.64 1.31 3mtfA1 LEU 343 HB3 -0.12 0.08 -0.09 -0.04 1.64 1.47 3mtfA1 LEU 343 HG -0.02 -0.09 -0.36 -0.04 1.64 1.13 3mtfA1 LEU 343 HD13 0.08 -0.01 -0.15 -0.04 0.93 0.81 3mtfA1 LEU 343 HD23 -0.02 0.01 -0.20 -0.04 0.89 0.63 3mtfA1 VAL 344 H -0.14 0.71 0.12 -0.55 8.24 8.38 3mtfA1 VAL 344 HA -0.23 0.15 0.77 -0.75 4.13 4.07 3mtfA1 VAL 344 HB -0.41 0.03 -0.12 -0.04 2.12 1.59 3mtfA1 VAL 344 HG13 -0.72 0.06 -0.17 -0.04 0.97 0.10 3mtfA1 VAL 344 HG23 -0.35 -0.02 -0.27 -0.04 0.95 0.27 3mtfA1 LYS 345 H -0.18 0.82 0.26 -0.55 8.42 8.76 3mtfA1 LYS 345 HA 0.01 0.06 0.70 -0.75 4.32 4.33 3mtfA1 LYS 345 HB2 -0.09 0.14 0.01 -0.04 1.87 1.89 3mtfA1 LYS 345 HB3 -0.00 -0.17 0.08 -0.04 1.79 1.66 3mtfA1 LYS 345 HG2 -0.05 -0.03 -0.09 -0.04 1.46 1.25 3mtfA1 LYS 345 HG3 -0.43 -0.02 -0.28 -0.04 1.46 0.69 3mtfA1 LYS 345 HD2 -0.16 0.04 -0.39 -0.04 1.69 1.14 3mtfA1 LYS 345 HD3 -0.08 -0.06 -0.26 -0.04 1.68 1.23 3mtfA1 LYS 345 HE2 0.07 -0.10 -0.05 -0.04 2.99 2.86 3mtfA1 LYS 345 HE3 0.06 0.02 -0.08 -0.04 2.99 2.95 3mtfA1 LYS 346 H 0.03 0.15 0.15 -0.55 8.42 8.19 3mtfA1 LYS 346 HA -0.01 0.14 0.30 -0.75 4.32 4.00 3mtfA1 LYS 346 HB2 0.01 -0.02 0.10 -0.04 1.87 1.92 3mtfA1 LYS 346 HB3 0.01 0.06 0.01 -0.04 1.79 1.83 3mtfA1 LYS 346 HG2 0.02 0.06 0.03 -0.04 1.46 1.53 3mtfA1 LYS 346 HG3 0.03 -0.09 0.06 -0.04 1.46 1.42 3mtfA1 LYS 346 HD2 0.02 -0.01 0.06 -0.04 1.69 1.72 3mtfA1 LYS 346 HD3 0.02 0.03 0.02 -0.04 1.68 1.70 3mtfA1 LYS 346 HE2 0.02 0.03 0.01 -0.04 2.99 3.02 3mtfA1 LYS 346 HE3 0.04 -0.03 0.02 -0.04 2.99 2.97 3mtfA1 ASN 347 H -0.02 0.02 -0.21 -0.55 8.53 7.78 3mtfA1 ASN 347 HA -0.01 0.18 0.57 -0.75 4.76 4.75 3mtfA1 ASN 347 HB2 -0.02 0.05 0.13 -0.04 2.88 3.01 3mtfA1 ASN 347 HB3 -0.01 -0.00 0.06 -0.04 2.79 2.80 3mtfA1 ASN 347 HD21 -0.02 0.04 -0.05 -0.04 7.03 6.95 3mtfA1 ASN 347 HD22 -0.02 0.04 -0.01 -0.04 7.74 7.71 3mtfA1 GLY 348 H -0.06 0.36 -0.65 -0.55 8.43 7.53 3mtfA1 GLY 348 HA2 -0.08 0.06 0.21 -0.51 4.01 3.69 3mtfA1 GLY 348 HA3 -0.03 0.10 0.49 -0.51 4.01 4.06 3mtfA1 GLN 349 H -0.06 -0.04 -0.46 -0.55 8.47 7.37 3mtfA1 GLN 349 HA -0.05 0.20 0.59 -0.75 4.36 4.34 3mtfA1 GLN 349 HB2 -0.05 -0.09 -0.05 -0.04 2.15 1.92 3mtfA1 GLN 349 HB3 -0.05 0.10 0.04 -0.04 2.02 2.08 3mtfA1 GLN 349 HG2 -0.03 0.08 -0.07 -0.04 2.40 2.33 3mtfA1 GLN 349 HG3 -0.03 0.00 -0.11 -0.04 2.39 2.20 3mtfA1 GLN 349 HE21 -0.03 -0.02 -0.04 -0.04 6.97 6.84 3mtfA1 GLN 349 HE22 -0.03 0.01 -0.05 -0.04 7.69 7.59 3mtfA1 CYS 350 H -0.06 0.14 0.15 -0.55 8.50 8.18 3mtfA1 CYS 350 HA -0.15 0.24 1.04 -0.75 4.58 4.95 3mtfA1 CYS 350 HB2 -0.06 -0.05 -0.04 -0.04 2.97 2.78 3mtfA1 CYS 350 HB3 -0.08 0.02 0.00 -0.04 2.97 2.87 3mtfA1 CYS 351 H -0.15 0.43 0.23 -0.55 8.50 8.46 3mtfA1 CYS 351 HA -0.04 0.24 0.65 -0.75 4.58 4.69 3mtfA1 CYS 351 HB2 0.00 -0.07 -0.67 -0.04 2.97 2.19 3mtfA1 CYS 351 HB3 -0.07 0.21 -0.26 -0.04 2.97 2.81 3mtfA1 ILE 352 H -0.00 0.72 0.23 -0.55 8.25 8.64 3mtfA1 ILE 352 HA -0.04 0.14 0.77 -0.75 4.18 4.30 3mtfA1 ILE 352 HB -0.01 0.01 0.16 -0.04 1.89 2.02 3mtfA1 ILE 352 HG12 -0.14 -0.02 0.02 -0.04 1.49 1.30 3mtfA1 ILE 352 HG13 -0.09 0.02 0.01 -0.04 1.21 1.11 3mtfA1 ILE 352 HG23 -0.03 0.01 -0.07 -0.04 0.93 0.79 3mtfA1 ILE 352 HD13 -0.17 0.01 -0.10 -0.04 0.88 0.58 3mtfA1 ALA 353 H 0.04 0.67 0.31 -0.55 8.40 8.87 3mtfA1 ALA 353 HA 0.12 0.09 0.74 -0.75 4.34 4.54 3mtfA1 ALA 353 HB3 0.05 -0.01 -0.09 -0.04 1.41 1.31 3mtfA1 ASP 354 H 0.12 0.10 0.06 -0.55 8.40 8.14 3mtfA1 ASP 354 HA 0.07 -0.02 0.33 -0.75 4.63 4.26 3mtfA1 ASP 354 HB2 0.00 -0.01 -0.18 -0.04 2.71 2.48 3mtfA1 ASP 354 HB3 0.09 0.26 0.05 -0.04 2.70 3.06 3mtfA1 LEU 355 H 0.00 0.13 0.05 -0.55 8.37 8.01 3mtfA1 LEU 355 HA -0.29 0.22 0.65 -0.75 4.35 4.18 3mtfA1 LEU 355 HB2 -0.24 -0.00 0.08 -0.04 1.64 1.44 3mtfA1 LEU 355 HB3 -0.22 0.08 0.11 -0.04 1.64 1.56 3mtfA1 LEU 355 HG -0.15 -0.15 -0.12 -0.04 1.64 1.18 3mtfA1 LEU 355 HD13 -0.61 0.04 -0.07 -0.04 0.93 0.24 3mtfA1 LEU 355 HD23 -0.12 0.04 -0.24 -0.04 0.89 0.53 3mtfA1 GLY 356 H -0.04 0.10 -0.62 -0.55 8.43 7.33 3mtfA1 GLY 356 HA2 0.04 0.11 0.16 -0.51 4.01 3.80 3mtfA1 GLY 356 HA3 0.08 -0.03 0.22 -0.51 4.01 3.77 3mtfA1 LEU 357 H -0.12 0.10 -0.44 -0.55 8.37 7.38 3mtfA1 LEU 357 HA -0.01 0.18 0.77 -0.75 4.35 4.53 3mtfA1 LEU 357 HB2 -0.04 -0.03 -0.10 -0.04 1.64 1.43 3mtfA1 LEU 357 HB3 -0.01 0.03 0.02 -0.04 1.64 1.64 3mtfA1 LEU 357 HG 0.04 -0.15 -0.33 -0.04 1.64 1.16 3mtfA1 LEU 357 HD13 0.06 -0.01 -0.36 -0.04 0.93 0.59 3mtfA1 LEU 357 HD23 0.03 0.05 -0.10 -0.04 0.89 0.84 3mtfA1 ALA 358 H -0.11 0.31 -0.26 -0.55 8.40 7.79 3mtfA1 ALA 358 HA -0.09 0.24 0.35 -0.75 4.34 4.09 3mtfA1 ALA 358 HB3 -0.12 -0.04 0.03 -0.04 1.41 1.24 3mtfA1 VAL 359 H -0.02 0.45 0.33 -0.55 8.24 8.45 3mtfA1 VAL 359 HA -0.07 0.28 0.92 -0.75 4.13 4.51 3mtfA1 VAL 359 HB -0.17 -0.14 0.07 -0.04 2.12 1.84 3mtfA1 VAL 359 HG13 -0.02 -0.02 -0.21 -0.04 0.97 0.69 3mtfA1 VAL 359 HG23 -0.44 0.04 -0.06 -0.04 0.95 0.44 3mtfA1 MET 360 H -0.01 0.53 0.35 -0.55 8.47 8.79 3mtfA1 MET 360 HA -0.06 0.43 1.15 -0.75 4.52 5.28 3mtfA1 MET 360 HB2 -0.08 -0.11 0.03 -0.04 2.15 1.96 3mtfA1 MET 360 HB3 -0.11 0.05 0.05 -0.04 2.03 1.98 3mtfA1 MET 360 HG2 -0.06 0.10 -0.23 -0.04 2.63 2.40 3mtfA1 MET 360 HG3 -0.06 -0.05 -0.32 -0.04 2.56 2.10 3mtfA1 MET 360 HE3 -0.07 -0.01 -0.10 -0.04 2.10 1.88 3mtfA1 HIS 361 H -0.36 0.69 0.33 -0.55 8.41 8.53 3mtfA1 HIS 361 HA -0.23 0.39 0.83 -0.75 4.63 4.87 3mtfA1 HIS 361 HB2 -0.63 -0.01 -0.05 -0.04 3.26 2.53 3mtfA1 HIS 361 HB3 -1.33 -0.03 0.04 -0.04 3.20 1.84 3mtfA1 HIS 361 HD2 -0.03 0.00 -0.27 -0.04 6.97 6.63 3mtfA1 HIS 361 HE1 -0.02 -0.03 -0.15 -0.04 7.75 7.50 3mtfA1 SER 362 H -0.63 0.47 0.25 -0.55 8.46 8.00 3mtfA1 SER 362 HA -0.20 0.13 0.75 -0.75 4.49 4.42 3mtfA1 SER 362 HB2 -0.08 -0.10 0.12 -0.04 3.95 3.85 3mtfA1 SER 362 HB3 -0.13 0.15 0.12 -0.04 3.93 4.03 3mtfA1 GLN 363 H 0.02 0.20 0.16 -0.55 8.47 8.30 3mtfA1 GLN 363 HA -0.02 0.15 0.48 -0.75 4.36 4.21 3mtfA1 GLN 363 HB2 0.29 -0.00 0.13 -0.04 2.15 2.53 3mtfA1 GLN 363 HB3 0.14 0.08 -0.01 -0.04 2.02 2.18 3mtfA1 GLN 363 HG2 0.17 0.04 0.03 -0.04 2.40 2.60 3mtfA1 GLN 363 HG3 0.16 -0.04 -0.02 -0.04 2.39 2.45 3mtfA1 GLN 363 HE21 0.03 0.05 0.04 -0.04 6.97 7.05 3mtfA1 GLN 363 HE22 0.06 -0.02 0.03 -0.04 7.69 7.71 3mtfA1 SER 364 H 0.02 0.09 -0.00 -0.55 8.46 8.02 3mtfA1 SER 364 HA -0.03 0.09 0.37 -0.75 4.49 4.16 3mtfA1 SER 364 HB2 -0.03 -0.07 0.10 -0.04 3.95 3.90 3mtfA1 SER 364 HB3 -0.04 0.08 -0.01 -0.04 3.93 3.92 3mtfA1 THR 365 H -0.07 -0.00 -0.24 -0.55 8.28 7.42 3mtfA1 THR 365 HA -0.03 0.17 0.48 -0.75 4.39 4.25 3mtfA1 THR 365 HB -0.05 0.05 -0.04 -0.04 4.32 4.24 3mtfA1 THR 365 HG23 -0.04 0.00 -0.04 -0.04 1.22 1.11 3mtfA1 ASN 366 H -0.09 0.02 -0.45 -0.55 8.53 7.46 3mtfA1 ASN 366 HA -0.16 0.05 0.37 -0.75 4.76 4.27 3mtfA1 ASN 366 HB2 0.05 0.05 -0.04 -0.04 2.88 2.89 3mtfA1 ASN 366 HB3 0.03 0.15 0.13 -0.04 2.79 3.06 3mtfA1 ASN 366 HD21 0.10 -0.06 0.08 -0.04 7.03 7.11 3mtfA1 ASN 366 HD22 0.07 0.04 0.10 -0.04 7.74 7.90 3mtfA1 GLN 367 H -0.22 0.03 -0.12 -0.55 8.47 7.62 3mtfA1 GLN 367 HA -0.01 0.25 1.05 -0.75 4.36 4.89 3mtfA1 GLN 367 HB2 -0.03 0.07 0.03 -0.04 2.15 2.18 3mtfA1 GLN 367 HB3 -0.05 0.05 -0.07 -0.04 2.02 1.90 3mtfA1 GLN 367 HG2 -0.12 -0.14 0.04 -0.04 2.40 2.14 3mtfA1 GLN 367 HG3 -0.08 0.02 -0.17 -0.04 2.39 2.11 3mtfA1 GLN 367 HE21 -0.04 0.02 -0.04 -0.04 6.97 6.87 3mtfA1 GLN 367 HE22 -0.06 -0.02 -0.07 -0.04 7.69 7.50 3mtfA1 LEU 368 H 0.06 0.22 0.19 -0.55 8.37 8.29 3mtfA1 LEU 368 HA 0.09 0.26 0.94 -0.75 4.35 4.89 3mtfA1 LEU 368 HB2 0.20 -0.03 0.06 -0.04 1.64 1.83 3mtfA1 LEU 368 HB3 0.11 -0.00 0.17 -0.04 1.64 1.87 3mtfA1 LEU 368 HG 0.12 -0.02 -0.26 -0.04 1.64 1.44 3mtfA1 LEU 368 HD13 0.29 0.04 -0.08 -0.04 0.93 1.14 3mtfA1 LEU 368 HD23 0.23 0.02 -0.23 -0.04 0.89 0.86 3mtfA1 ASP 369 H 0.00 0.76 0.25 -0.55 8.40 8.86 3mtfA1 ASP 369 HA 0.00 0.13 0.90 -0.75 4.63 4.91 3mtfA1 ASP 369 HB2 -0.02 0.03 -0.02 -0.04 2.71 2.65 3mtfA1 ASP 369 HB3 -0.04 0.02 0.13 -0.04 2.70 2.78 3mtfA1 VAL 370 H 0.00 0.20 0.07 -0.55 8.24 7.97 3mtfA1 VAL 370 HA -0.09 0.16 0.76 -0.75 4.13 4.20 3mtfA1 VAL 370 HB -0.06 0.03 0.11 -0.04 2.12 2.16 3mtfA1 VAL 370 HG13 -0.01 -0.00 -0.10 -0.04 0.97 0.82 3mtfA1 VAL 370 HG23 0.02 0.04 -0.06 -0.04 0.95 0.91 3mtfA1 GLY 371 H -0.01 -0.07 -0.12 -0.55 8.43 7.69 3mtfA1 GLY 371 HA2 0.02 -0.00 0.25 -0.51 4.01 3.77 3mtfA1 GLY 371 HA3 0.01 0.14 0.28 -0.51 4.01 3.93 3mtfA1 ASN 372 H 0.02 0.13 0.01 -0.55 8.53 8.15 3mtfA1 ASN 372 HA 0.00 0.18 0.70 -0.75 4.76 4.89 3mtfA1 ASN 372 HB2 -0.01 0.03 -0.29 -0.04 2.88 2.56 3mtfA1 ASN 372 HB3 -0.04 -0.03 0.06 -0.04 2.79 2.74 3mtfA1 ASN 372 HD21 -0.04 -0.01 0.01 -0.04 7.03 6.95 3mtfA1 ASN 372 HD22 -0.08 -0.02 0.03 -0.04 7.74 7.62 3mtfA1 ASN 373 H 0.01 0.35 0.04 -0.55 8.53 8.39 3mtfA1 ASN 373 HA 0.03 0.10 0.86 -0.75 4.76 5.00 3mtfA1 ASN 373 HB2 0.04 -0.01 -0.02 -0.04 2.88 2.85 3mtfA1 ASN 373 HB3 0.03 0.15 0.08 -0.04 2.79 3.01 3mtfA1 ASN 373 HD21 0.11 -0.21 -0.13 -0.04 7.03 6.76 3mtfA1 ASN 373 HD22 0.06 0.37 -0.06 -0.04 7.74 8.07 3mtfA1 PRO 374 HA 0.02 0.18 0.62 -0.51 4.44 4.75 3mtfA1 PRO 374 HB2 0.02 0.01 0.03 -0.04 2.28 2.30 3mtfA1 PRO 374 HB3 0.01 0.03 0.07 -0.04 2.02 2.09 3mtfA1 PRO 374 HG2 0.04 0.02 0.08 -0.04 2.03 2.12 3mtfA1 PRO 374 HG3 0.02 0.04 0.08 -0.04 2.03 2.13 3mtfA1 PRO 374 HD2 0.04 -0.03 0.27 -0.04 3.68 3.92 3mtfA1 PRO 374 HD3 0.02 0.23 0.19 -0.04 3.65 4.04 3mtfA1 ARG 375 H 0.05 -0.02 -0.12 -0.55 8.46 7.82 3mtfA1 ARG 375 HA 0.06 -0.04 0.46 -0.75 4.34 4.06 3mtfA1 ARG 375 HB2 0.09 -0.08 0.07 -0.04 1.90 1.93 3mtfA1 ARG 375 HB3 0.07 0.02 -0.07 -0.04 1.80 1.78 3mtfA1 ARG 375 HG2 0.07 0.16 -0.40 -0.04 1.67 1.46 3mtfA1 ARG 375 HG3 0.09 -0.03 -0.02 -0.04 1.67 1.66 3mtfA1 ARG 375 HD2 0.13 -0.07 -0.06 -0.04 3.22 3.17 3mtfA1 ARG 375 HD3 0.10 -0.00 -0.16 -0.04 3.22 3.12 3mtfA1 VAL 376 H 0.05 0.03 0.18 -0.55 8.24 7.95 3mtfA1 VAL 376 HA 0.06 0.25 0.93 -0.75 4.13 4.62 3mtfA1 VAL 376 HB 0.07 -0.03 0.14 -0.04 2.12 2.26 3mtfA1 VAL 376 HG13 0.00 0.03 -0.01 -0.04 0.97 0.95 3mtfA1 VAL 376 HG23 0.05 0.00 -0.00 -0.04 0.95 0.96 3mtfA1 GLY 377 H 0.10 0.11 0.08 -0.55 8.43 8.18 3mtfA1 GLY 377 HA2 0.10 0.04 0.48 -0.51 4.01 4.11 3mtfA1 GLY 377 HA3 0.12 0.14 0.31 -0.51 4.01 4.06 3mtfA1 THR 378 H 0.10 0.11 0.07 -0.55 8.28 8.01 3mtfA1 THR 378 HA 0.13 0.03 0.49 -0.75 4.39 4.29 3mtfA1 THR 378 HB 0.16 0.03 0.05 -0.04 4.32 4.51 3mtfA1 THR 378 HG23 0.22 -0.05 -0.02 -0.04 1.22 1.33 3mtfA1 LYS 379 H 0.14 0.16 0.16 -0.55 8.42 8.32 3mtfA1 LYS 379 HA 0.14 0.10 0.36 -0.75 4.32 4.17 3mtfA1 LYS 379 HB2 0.11 0.03 0.10 -0.04 1.87 2.07 3mtfA1 LYS 379 HB3 0.08 0.05 -0.10 -0.04 1.79 1.78 3mtfA1 LYS 379 HG2 0.27 -0.01 0.01 -0.04 1.46 1.69 3mtfA1 LYS 379 HG3 0.16 0.06 0.06 -0.04 1.46 1.70 3mtfA1 LYS 379 HD2 0.11 0.17 0.03 -0.04 1.69 1.96 3mtfA1 LYS 379 HD3 0.18 -0.20 -0.06 -0.04 1.68 1.55 3mtfA1 LYS 379 HE2 0.12 -0.02 0.04 -0.04 2.99 3.09 3mtfA1 LYS 379 HE3 0.10 0.04 0.02 -0.04 2.99 3.11 3mtfA1 ARG 380 H 0.21 0.01 -0.26 -0.55 8.46 7.87 3mtfA1 ARG 380 HA 0.06 0.09 0.10 -0.75 4.34 3.85 3mtfA1 ARG 380 HB2 0.16 -0.05 0.06 -0.04 1.90 2.03 3mtfA1 ARG 380 HB3 0.33 -0.07 -0.03 -0.04 1.80 1.99 3mtfA1 ARG 380 HG2 -0.13 0.01 -0.11 -0.04 1.67 1.39 3mtfA1 ARG 380 HG3 0.09 0.06 0.00 -0.04 1.67 1.78 3mtfA1 ARG 380 HD2 0.15 -0.13 -0.03 -0.04 3.22 3.17 3mtfA1 ARG 380 HD3 0.06 0.18 -0.07 -0.04 3.22 3.35 3mtfA1 TYR 381 H 0.39 0.18 -0.74 -0.55 8.29 7.58 3mtfA1 TYR 381 HA 0.36 0.22 0.60 -0.75 4.56 4.98 3mtfA1 TYR 381 HB2 0.19 -0.01 -0.05 -0.04 3.06 3.15 3mtfA1 TYR 381 HB3 0.27 0.01 0.11 -0.04 2.98 3.32 3mtfA1 TYR 381 HD2 0.17 -0.02 -0.03 -0.04 7.15 7.23 3mtfA1 TYR 381 HE2 0.16 -0.02 -0.02 -0.04 6.85 6.94 3mtfA1 MET 382 H 0.19 0.42 -0.21 -0.55 8.47 8.32 3mtfA1 MET 382 HA 0.13 -0.06 0.54 -0.75 4.52 4.37 3mtfA1 MET 382 HB2 -0.02 0.10 0.09 -0.04 2.15 2.28 3mtfA1 MET 382 HB3 -0.04 -0.03 -0.04 -0.04 2.03 1.87 3mtfA1 MET 382 HG2 0.12 -0.07 -0.07 -0.04 2.63 2.57 3mtfA1 MET 382 HG3 0.15 0.19 -0.16 -0.04 2.56 2.70 3mtfA1 MET 382 HE3 0.18 -0.01 -0.08 -0.04 2.10 2.15 3mtfA1 ALA 383 H -0.14 0.04 0.20 -0.55 8.40 7.96 3mtfA1 ALA 383 HA -2.22 0.25 0.54 -0.75 4.34 2.16 3mtfA1 ALA 383 HB3 -0.36 -0.00 0.15 -0.04 1.41 1.16 3mtfA1 PRO 384 HA -0.37 0.08 0.35 -0.51 4.44 3.99 3mtfA1 PRO 384 HB2 -0.26 0.03 0.11 -0.04 2.28 2.12 3mtfA1 PRO 384 HB3 -0.24 0.09 0.04 -0.04 2.02 1.87 3mtfA1 PRO 384 HG2 -0.38 0.15 0.11 -0.04 2.03 1.86 3mtfA1 PRO 384 HG3 -0.57 0.14 0.06 -0.04 2.03 1.62 3mtfA1 PRO 384 HD2 -1.00 0.11 0.22 -0.04 3.68 2.97 3mtfA1 PRO 384 HD3 -2.79 0.24 0.22 -0.04 3.65 1.28 3mtfA1 GLU 385 H -0.26 0.23 -0.15 -0.55 8.60 7.87 3mtfA1 GLU 385 HA -0.11 0.09 0.24 -0.75 4.29 3.76 3mtfA1 GLU 385 HB2 -0.08 -0.04 -0.03 -0.04 2.09 1.89 3mtfA1 GLU 385 HB3 -0.10 0.13 0.05 -0.04 1.99 2.03 3mtfA1 GLU 385 HG2 -0.12 -0.01 -0.21 -0.04 2.34 1.96 3mtfA1 GLU 385 HG3 -0.10 -0.02 -0.04 -0.04 2.34 2.14 3mtfA1 VAL 386 H -0.18 0.30 -0.48 -0.55 8.24 7.34 3mtfA1 VAL 386 HA -0.01 0.10 0.87 -0.75 4.13 4.34 3mtfA1 VAL 386 HB -0.07 0.21 0.05 -0.04 2.12 2.26 3mtfA1 VAL 386 HG13 0.12 0.01 -0.12 -0.04 0.97 0.93 3mtfA1 VAL 386 HG23 -0.02 -0.02 0.01 -0.04 0.95 0.88 3mtfA1 LEU 387 H -0.19 0.45 -0.03 -0.55 8.37 8.05 3mtfA1 LEU 387 HA -0.44 0.04 0.49 -0.75 4.35 3.68 3mtfA1 LEU 387 HB2 -0.30 0.07 0.06 -0.04 1.64 1.43 3mtfA1 LEU 387 HB3 -0.48 -0.07 0.00 -0.04 1.64 1.05 3mtfA1 LEU 387 HG -0.25 0.05 -0.16 -0.04 1.64 1.24 3mtfA1 LEU 387 HD13 -0.29 0.01 -0.28 -0.04 0.93 0.33 3mtfA1 LEU 387 HD23 -0.47 0.00 0.01 -0.04 0.89 0.38 3mtfA1 ASP 388 H -0.13 0.55 -0.07 -0.55 8.40 8.20 3mtfA1 ASP 388 HA -0.05 0.19 0.80 -0.75 4.63 4.81 3mtfA1 ASP 388 HB2 -0.05 -0.00 0.10 -0.04 2.71 2.71 3mtfA1 ASP 388 HB3 -0.10 0.01 0.04 -0.04 2.70 2.61 3mtfA1 GLU 389 H 0.01 0.10 -0.68 -0.55 8.60 7.48 3mtfA1 GLU 389 HA 0.05 0.05 0.32 -0.75 4.29 3.94 3mtfA1 GLU 389 HB2 0.05 0.15 -0.12 -0.04 2.09 2.13 3mtfA1 GLU 389 HB3 0.04 -0.05 0.16 -0.04 1.99 2.09 3mtfA1 GLU 389 HG2 0.21 0.10 -0.04 -0.04 2.34 2.58 3mtfA1 GLU 389 HG3 0.22 0.06 -0.45 -0.04 2.34 2.13 3mtfA1 THR 390 H -0.03 0.09 -0.24 -0.55 8.28 7.55 3mtfA1 THR 390 HA -0.02 0.23 0.87 -0.75 4.39 4.72 3mtfA1 THR 390 HB -0.03 -0.04 0.11 -0.04 4.32 4.32 3mtfA1 THR 390 HG23 -0.02 0.05 -0.13 -0.04 1.22 1.08 3mtfA1 ILE 391 H -0.04 0.29 -0.02 -0.55 8.25 7.93 3mtfA1 ILE 391 HA -0.08 -0.04 0.35 -0.75 4.18 3.65 3mtfA1 ILE 391 HB -0.09 -0.04 -0.21 -0.04 1.89 1.52 3mtfA1 ILE 391 HG12 -0.23 0.02 -0.44 -0.04 1.49 0.80 3mtfA1 ILE 391 HG13 -0.18 -0.07 -0.05 -0.04 1.21 0.87 3mtfA1 ILE 391 HG23 -0.03 0.00 -0.04 -0.04 0.93 0.82 3mtfA1 ILE 391 HD13 -0.22 -0.01 -0.17 -0.04 0.88 0.44 3mtfA1 GLN 392 H -0.10 0.08 0.14 -0.55 8.47 8.04 3mtfA1 GLN 392 HA -0.04 0.16 0.66 -0.75 4.36 4.39 3mtfA1 GLN 392 HB2 -0.06 0.03 0.18 -0.04 2.15 2.26 3mtfA1 GLN 392 HB3 -0.06 -0.10 0.16 -0.04 2.02 1.97 3mtfA1 GLN 392 HG2 -0.02 0.01 0.02 -0.04 2.40 2.36 3mtfA1 GLN 392 HG3 -0.02 -0.07 -0.02 -0.04 2.39 2.24 3mtfA1 GLN 392 HE21 -0.01 0.05 0.00 -0.04 6.97 6.97 3mtfA1 GLN 392 HE22 -0.01 -0.04 0.00 -0.04 7.69 7.60 3mtfA1 VAL 393 H -0.01 0.28 0.14 -0.55 8.24 8.10 3mtfA1 VAL 393 HA -0.07 0.07 0.01 -0.75 4.13 3.38 3mtfA1 VAL 393 HB 0.15 0.03 0.06 -0.04 2.12 2.31 3mtfA1 VAL 393 HG13 0.04 0.06 -0.03 -0.04 0.97 0.99 3mtfA1 VAL 393 HG23 0.04 0.01 -0.01 -0.04 0.95 0.95 3mtfA1 ASP 394 H 0.02 0.05 -0.39 -0.55 8.40 7.53 3mtfA1 ASP 394 HA 0.11 0.18 0.55 -0.75 4.63 4.72 3mtfA1 ASP 394 HB2 0.03 -0.01 0.01 -0.04 2.71 2.70 3mtfA1 ASP 394 HB3 0.05 0.03 0.16 -0.04 2.70 2.90 3mtfA1 CYS 395 H 0.01 0.39 -0.37 -0.55 8.50 7.99 3mtfA1 CYS 395 HA 0.07 0.21 1.01 -0.75 4.58 5.12 3mtfA1 CYS 395 HB2 -0.00 0.08 -0.13 -0.04 2.97 2.88 3mtfA1 CYS 395 HB3 -0.05 0.10 0.10 -0.04 2.97 3.08 3mtfA1 PHE 396 H 0.17 0.25 0.07 -0.55 8.34 8.28 3mtfA1 PHE 396 HA 0.21 0.12 0.22 -0.75 4.62 4.41 3mtfA1 PHE 396 HB2 -0.12 0.07 0.05 -0.04 3.15 3.11 3mtfA1 PHE 396 HB3 -0.26 -0.01 0.04 -0.04 3.06 2.79 3mtfA1 PHE 396 HD2 -0.05 0.01 -0.17 -0.04 7.28 7.04 3mtfA1 PHE 396 HE2 -0.06 0.12 -0.20 -0.04 7.38 7.20 3mtfA1 PHE 396 HZ -0.05 0.05 -0.57 -0.04 7.32 6.71 3mtfA1 ASP 397 H -0.02 0.10 -0.35 -0.55 8.40 7.58 3mtfA1 ASP 397 HA -0.23 0.06 0.18 -0.75 4.63 3.89 3mtfA1 ASP 397 HB2 -0.06 0.00 0.01 -0.04 2.71 2.63 3mtfA1 ASP 397 HB3 -0.06 0.06 -0.01 -0.04 2.70 2.65 3mtfA1 SER 398 H -0.18 0.36 -0.31 -0.55 8.46 7.79 3mtfA1 SER 398 HA -0.16 0.03 0.32 -0.75 4.49 3.94 3mtfA1 SER 398 HB2 -0.64 0.14 -0.05 -0.04 3.95 3.36 3mtfA1 SER 398 HB3 -0.30 -0.10 0.00 -0.04 3.93 3.49 3mtfA1 TYR 399 H -0.25 0.50 -0.25 -0.55 8.29 7.73 3mtfA1 TYR 399 HA -0.07 0.06 0.46 -0.75 4.56 4.25 3mtfA1 TYR 399 HB2 -0.36 0.12 0.08 -0.04 3.06 2.86 3mtfA1 TYR 399 HB3 -0.10 -0.07 -0.02 -0.04 2.98 2.75 3mtfA1 TYR 399 HD2 -0.04 -0.02 -0.05 -0.04 7.15 7.00 3mtfA1 TYR 399 HE2 0.03 0.03 -0.13 -0.04 6.85 6.74 3mtfA1 LYS 400 H -0.43 0.37 -0.06 -0.55 8.42 7.75 3mtfA1 LYS 400 HA -0.35 -0.02 0.55 -0.75 4.32 3.75 3mtfA1 LYS 400 HB2 -0.32 0.17 0.15 -0.04 1.87 1.83 3mtfA1 LYS 400 HB3 -0.28 -0.04 0.04 -0.04 1.79 1.47 3mtfA1 LYS 400 HG2 -1.26 -0.00 0.04 -0.04 1.46 0.20 3mtfA1 LYS 400 HG3 -1.05 0.04 -0.04 -0.04 1.46 0.38 3mtfA1 LYS 400 HD2 -0.27 -0.09 0.03 -0.04 1.69 1.32 3mtfA1 LYS 400 HD3 -0.11 0.17 0.02 -0.04 1.68 1.73 3mtfA1 LYS 400 HE2 -0.10 -0.05 -0.09 -0.04 2.99 2.70 3mtfA1 LYS 400 HE3 -0.14 0.03 0.01 -0.04 2.99 2.85 3mtfA1 ARG 401 H -0.08 0.38 -0.38 -0.55 8.46 7.83 3mtfA1 ARG 401 HA 0.11 0.09 0.35 -0.75 4.34 4.14 3mtfA1 ARG 401 HB2 -0.02 0.04 0.09 -0.04 1.90 1.97 3mtfA1 ARG 401 HB3 0.07 0.04 0.05 -0.04 1.80 1.91 3mtfA1 ARG 401 HG2 0.04 0.17 -0.02 -0.04 1.67 1.82 3mtfA1 ARG 401 HG3 -0.02 0.02 0.02 -0.04 1.67 1.64 3mtfA1 ARG 401 HD2 -0.05 -0.08 -0.19 -0.04 3.22 2.86 3mtfA1 ARG 401 HD3 0.00 -0.12 -0.30 -0.04 3.22 2.75 3mtfA1 VAL 402 H 0.03 0.39 -0.08 -0.55 8.24 8.03 3mtfA1 VAL 402 HA 0.15 0.03 0.69 -0.75 4.13 4.25 3mtfA1 VAL 402 HB 0.09 0.14 0.24 -0.04 2.12 2.55 3mtfA1 VAL 402 HG13 0.16 -0.03 -0.03 -0.04 0.97 1.03 3mtfA1 VAL 402 HG23 -0.02 0.00 0.07 -0.04 0.95 0.96 3mtfA1 ASP 403 H 0.17 0.50 -0.15 -0.55 8.40 8.36 3mtfA1 ASP 403 HA 0.21 -0.08 0.41 -0.75 4.63 4.42 3mtfA1 ASP 403 HB2 0.32 0.32 0.30 -0.04 2.71 3.60 3mtfA1 ASP 403 HB3 0.17 -0.03 0.05 -0.04 2.70 2.85 3mtfA1 ILE 404 H 0.25 0.46 -0.09 -0.55 8.25 8.31 3mtfA1 ILE 404 HA 0.29 -0.07 0.34 -0.75 4.18 3.99 3mtfA1 ILE 404 HB 0.22 0.12 0.17 -0.04 1.89 2.36 3mtfA1 ILE 404 HG12 0.26 0.14 0.09 -0.04 1.49 1.93 3mtfA1 ILE 404 HG13 0.18 0.21 0.07 -0.04 1.21 1.63 3mtfA1 ILE 404 HG23 0.16 0.07 -0.06 -0.04 0.93 1.06 3mtfA1 ILE 404 HD13 0.21 -0.09 -0.13 -0.04 0.88 0.83 3mtfA1 TRP 405 H 0.45 0.36 -0.21 -0.55 7.97 8.02 3mtfA1 TRP 405 HA 0.30 0.34 0.49 -0.75 4.62 5.00 3mtfA1 TRP 405 HB2 0.19 0.10 0.22 -0.04 3.23 3.70 3mtfA1 TRP 405 HB3 0.17 -0.01 0.30 -0.04 3.23 3.64 3mtfA1 TRP 405 HD1 0.20 0.07 -0.18 -0.04 7.22 7.26 3mtfA1 TRP 405 HE1 0.12 0.06 -0.40 -0.04 10.20 9.93 3mtfA1 TRP 405 HE3 0.22 0.14 0.09 -0.04 7.59 8.00 3mtfA1 TRP 405 HZ2 -0.00 0.02 -0.03 -0.04 7.44 7.38 3mtfA1 TRP 405 HZ3 0.06 0.25 -0.01 -0.04 7.13 7.39 3mtfA1 TRP 405 HH2 -0.13 0.11 0.03 -0.04 7.19 7.17 3mtfA1 ALA 406 H 0.51 0.46 -0.12 -0.55 8.40 8.70 3mtfA1 ALA 406 HA 0.38 0.05 0.40 -0.75 4.34 4.42 3mtfA1 ALA 406 HB3 0.33 0.05 0.08 -0.04 1.41 1.84 3mtfA1 PHE 407 H 0.34 0.61 -0.17 -0.55 8.34 8.56 3mtfA1 PHE 407 HA 0.07 -0.08 0.43 -0.75 4.62 4.29 3mtfA1 PHE 407 HB2 0.03 -0.01 0.05 -0.04 3.15 3.17 3mtfA1 PHE 407 HB3 0.04 0.18 0.10 -0.04 3.06 3.34 3mtfA1 PHE 407 HD2 -0.00 -0.02 -0.03 -0.04 7.28 7.19 3mtfA1 PHE 407 HE2 -0.03 -0.01 -0.05 -0.04 7.38 7.24 3mtfA1 PHE 407 HZ -0.04 0.09 -0.03 -0.04 7.32 7.30 3mtfA1 GLY 408 H 0.08 0.61 -0.25 -0.55 8.43 8.32 3mtfA1 GLY 408 HA2 -0.40 -0.05 0.47 -0.51 4.01 3.52 3mtfA1 GLY 408 HA3 -0.33 0.21 0.34 -0.51 4.01 3.72 3mtfA1 LEU 409 H 0.20 0.44 -0.11 -0.55 8.37 8.36 3mtfA1 LEU 409 HA 0.32 0.02 0.43 -0.75 4.35 4.37 3mtfA1 LEU 409 HB2 0.26 0.16 0.15 -0.04 1.64 2.17 3mtfA1 LEU 409 HB3 -0.06 -0.10 0.08 -0.04 1.64 1.52 3mtfA1 LEU 409 HG -0.26 0.25 0.10 -0.04 1.64 1.68 3mtfA1 LEU 409 HD13 0.05 -0.00 -0.00 -0.04 0.93 0.94 3mtfA1 LEU 409 HD23 -0.68 -0.02 0.00 -0.04 0.89 0.15 3mtfA1 VAL 410 H 0.27 0.40 -0.30 -0.55 8.24 8.06 3mtfA1 VAL 410 HA 0.32 -0.02 0.37 -0.75 4.13 4.04 3mtfA1 VAL 410 HB 0.33 0.13 0.08 -0.04 2.12 2.62 3mtfA1 VAL 410 HG13 0.19 -0.02 -0.16 -0.04 0.97 0.94 3mtfA1 VAL 410 HG23 0.29 0.05 -0.09 -0.04 0.95 1.16 3mtfA1 LEU 411 H -0.02 0.64 -0.04 -0.55 8.37 8.40 3mtfA1 LEU 411 HA -0.07 -0.05 0.57 -0.75 4.35 4.05 3mtfA1 LEU 411 HB2 -0.19 0.34 0.21 -0.04 1.64 1.96 3mtfA1 LEU 411 HB3 -0.19 -0.06 -0.03 -0.04 1.64 1.32 3mtfA1 LEU 411 HG -0.77 0.21 0.05 -0.04 1.64 1.09 3mtfA1 LEU 411 HD13 -0.47 -0.01 -0.07 -0.04 0.93 0.33 3mtfA1 LEU 411 HD23 -0.30 -0.04 0.01 -0.04 0.89 0.53 3mtfA1 TRP 412 H 0.34 0.56 -0.18 -0.55 7.97 8.14 3mtfA1 TRP 412 HA 0.27 -0.02 0.36 -0.75 4.62 4.48 3mtfA1 TRP 412 HB2 0.40 0.03 0.06 -0.04 3.23 3.68 3mtfA1 TRP 412 HB3 0.20 0.14 0.19 -0.04 3.23 3.72 3mtfA1 TRP 412 HD1 0.29 -0.00 -0.11 -0.04 7.22 7.36 3mtfA1 TRP 412 HE1 -0.17 0.51 -0.05 -0.04 10.20 10.45 3mtfA1 TRP 412 HE3 0.01 0.09 -0.12 -0.04 7.59 7.52 3mtfA1 TRP 412 HZ2 0.03 -0.01 -0.02 -0.04 7.44 7.39 3mtfA1 TRP 412 HZ3 -0.10 0.11 -0.47 -0.04 7.13 6.62 3mtfA1 TRP 412 HH2 0.08 -0.02 -0.14 -0.04 7.19 7.06 3mtfA1 GLU 413 H 0.40 0.54 -0.07 -0.55 8.60 8.92 3mtfA1 GLU 413 HA -0.13 0.06 0.33 -0.75 4.29 3.79 3mtfA1 GLU 413 HB2 0.29 0.05 0.13 -0.04 2.09 2.51 3mtfA1 GLU 413 HB3 0.38 -0.05 -0.02 -0.04 1.99 2.26 3mtfA1 GLU 413 HG2 0.43 0.14 0.12 -0.04 2.34 2.99 3mtfA1 GLU 413 HG3 0.51 0.21 0.07 -0.04 2.34 3.09 3mtfA1 VAL 414 H 0.06 0.51 -0.21 -0.55 8.24 8.06 3mtfA1 VAL 414 HA 0.01 0.06 0.52 -0.75 4.13 3.97 3mtfA1 VAL 414 HB -0.04 0.05 0.20 -0.04 2.12 2.28 3mtfA1 VAL 414 HG13 -0.04 -0.02 -0.06 -0.04 0.97 0.82 3mtfA1 VAL 414 HG23 0.07 0.07 -0.01 -0.04 0.95 1.04 3mtfA1 ALA 415 H -0.18 0.73 0.05 -0.55 8.40 8.45 3mtfA1 ALA 415 HA -0.41 -0.09 0.18 -0.75 4.34 3.26 3mtfA1 ALA 415 HB3 -0.90 0.01 0.07 -0.04 1.41 0.55 3mtfA1 ARG 416 H -0.22 0.42 -0.42 -0.55 8.46 7.69 3mtfA1 ARG 416 HA 0.20 -0.08 0.38 -0.75 4.34 4.09 3mtfA1 ARG 416 HB2 -0.33 0.22 0.03 -0.04 1.90 1.78 3mtfA1 ARG 416 HB3 -0.22 -0.01 -0.07 -0.04 1.80 1.45 3mtfA1 ARG 416 HG2 -0.30 -0.13 0.05 -0.04 1.67 1.25 3mtfA1 ARG 416 HG3 -0.61 0.12 0.06 -0.04 1.67 1.20 3mtfA1 ARG 416 HD2 -2.31 -0.08 -0.05 -0.04 3.22 0.74 3mtfA1 ARG 416 HD3 -1.40 0.05 -0.03 -0.04 3.22 1.81 3mtfA1 ARG 417 H -0.13 0.76 -0.27 -0.55 8.46 8.27 3mtfA1 ARG 417 HA -0.07 0.17 0.69 -0.75 4.34 4.37 3mtfA1 ARG 417 HB2 -0.05 0.04 0.12 -0.04 1.90 1.97 3mtfA1 ARG 417 HB3 -0.06 -0.04 0.25 -0.04 1.80 1.91 3mtfA1 ARG 417 HG2 -0.01 0.11 0.00 -0.04 1.67 1.73 3mtfA1 ARG 417 HG3 0.03 -0.03 0.09 -0.04 1.67 1.72 3mtfA1 ARG 417 HD2 -0.05 0.20 -0.18 -0.04 3.22 3.15 3mtfA1 ARG 417 HD3 0.01 -0.15 -0.25 -0.04 3.22 2.79 3mtfA1 MET 418 H -0.18 0.49 -0.19 -0.55 8.47 8.04 3mtfA1 MET 418 HA -0.11 0.09 0.80 -0.75 4.52 4.55 3mtfA1 MET 418 HB2 -0.21 -0.07 -0.01 -0.04 2.15 1.82 3mtfA1 MET 418 HB3 -0.30 0.08 0.06 -0.04 2.03 1.83 3mtfA1 MET 418 HG2 -0.14 0.14 -0.30 -0.04 2.63 2.29 3mtfA1 MET 418 HG3 -0.12 -0.02 -0.30 -0.04 2.56 2.08 3mtfA1 MET 418 HE3 -0.17 -0.03 -0.12 -0.04 2.10 1.74 3mtfA1 VAL 419 H -0.08 0.57 0.30 -0.55 8.24 8.48 3mtfA1 VAL 419 HA -0.05 0.37 0.55 -0.75 4.13 4.25 3mtfA1 VAL 419 HB -0.05 -0.11 0.12 -0.04 2.12 2.04 3mtfA1 VAL 419 HG13 -0.03 -0.03 -0.26 -0.04 0.97 0.60 3mtfA1 VAL 419 HG23 -0.05 0.03 -0.08 -0.04 0.95 0.81 3mtfA1 SER 420 H -0.03 0.61 0.26 -0.55 8.46 8.76 3mtfA1 SER 420 HA -0.04 0.02 0.42 -0.75 4.49 4.14 3mtfA1 SER 420 HB2 -0.03 -0.03 0.06 -0.04 3.95 3.90 3mtfA1 SER 420 HB3 -0.08 0.01 0.01 -0.04 3.93 3.83 3mtfA1 ASN 421 H -0.01 0.16 0.11 -0.55 8.53 8.24 3mtfA1 ASN 421 HA -0.00 0.03 0.35 -0.75 4.76 4.39 3mtfA1 ASN 421 HB2 0.01 -0.01 -0.11 -0.04 2.88 2.73 3mtfA1 ASN 421 HB3 0.01 0.20 0.17 -0.04 2.79 3.13 3mtfA1 ASN 421 HD21 0.01 -0.01 0.04 -0.04 7.03 7.03 3mtfA1 ASN 421 HD22 0.02 0.01 0.04 -0.04 7.74 7.76 3mtfA1 GLY 422 H -0.01 -0.00 -0.35 -0.55 8.43 7.52 3mtfA1 GLY 422 HA2 -0.02 -0.02 0.20 -0.51 4.01 3.67 3mtfA1 GLY 422 HA3 -0.01 0.08 0.17 -0.51 4.01 3.73 3mtfA1 ILE 423 H -0.00 0.32 -0.55 -0.55 8.25 7.47 3mtfA1 ILE 423 HA -0.01 0.20 0.93 -0.75 4.18 4.55 3mtfA1 ILE 423 HB 0.01 0.01 0.07 -0.04 1.89 1.94 3mtfA1 ILE 423 HG12 0.01 0.17 0.01 -0.04 1.49 1.64 3mtfA1 ILE 423 HG13 0.03 -0.03 -0.09 -0.04 1.21 1.07 3mtfA1 ILE 423 HG23 0.00 0.02 -0.09 -0.04 0.93 0.82 3mtfA1 ILE 423 HD13 0.02 -0.04 -0.02 -0.04 0.88 0.80 3mtfA1 VAL 424 H -0.01 0.26 0.20 -0.55 8.24 8.15 3mtfA1 VAL 424 HA 0.00 0.20 0.61 -0.75 4.13 4.19 3mtfA1 VAL 424 HB -0.04 0.32 0.07 -0.04 2.12 2.44 3mtfA1 VAL 424 HG13 -0.04 -0.00 -0.37 -0.04 0.97 0.52 3mtfA1 VAL 424 HG23 -0.03 -0.04 -0.15 -0.04 0.95 0.68 3mtfA1 GLU 425 H 0.00 0.56 0.28 -0.55 8.60 8.89 3mtfA1 GLU 425 HA -0.04 0.05 0.90 -0.75 4.29 4.44 3mtfA1 GLU 425 HB2 -0.07 0.09 0.17 -0.04 2.09 2.24 3mtfA1 GLU 425 HB3 -0.12 0.02 0.12 -0.04 1.99 1.98 3mtfA1 GLU 425 HG2 -0.09 -0.02 0.04 -0.04 2.34 2.22 3mtfA1 GLU 425 HG3 -0.03 -0.03 -0.02 -0.04 2.34 2.23 3mtfA1 ASP 426 H -0.09 0.03 0.11 -0.55 8.40 7.90 3mtfA1 ASP 426 HA -0.06 0.09 0.56 -0.75 4.63 4.46 3mtfA1 ASP 426 HB2 -0.13 -0.06 0.04 -0.04 2.71 2.52 3mtfA1 ASP 426 HB3 -0.08 0.11 0.01 -0.04 2.70 2.70 3mtfA1 TYR 427 H 0.02 0.13 0.12 -0.55 8.29 8.01 3mtfA1 TYR 427 HA -0.15 0.10 0.40 -0.75 4.56 4.16 3mtfA1 TYR 427 HB2 -0.13 0.18 -0.08 -0.04 3.06 2.99 3mtfA1 TYR 427 HB3 -0.13 -0.07 0.04 -0.04 2.98 2.78 3mtfA1 TYR 427 HD2 -0.12 0.04 -0.14 -0.04 7.15 6.89 3mtfA1 TYR 427 HE2 0.02 -0.07 -0.13 -0.04 6.85 6.63 3mtfA1 LYS 428 H -0.90 0.27 0.21 -0.55 8.42 7.45 3mtfA1 LYS 428 HA -0.60 0.11 0.41 -0.75 4.32 3.48 3mtfA1 LYS 428 HB2 -0.48 -0.04 -0.04 -0.04 1.87 1.27 3mtfA1 LYS 428 HB3 -0.58 0.00 0.05 -0.04 1.79 1.22 3mtfA1 LYS 428 HG2 -0.46 0.18 -0.76 -0.04 1.46 0.38 3mtfA1 LYS 428 HG3 -1.04 -0.09 -0.12 -0.04 1.46 0.17 3mtfA1 LYS 428 HD2 -0.50 -0.07 0.03 -0.04 1.69 1.11 3mtfA1 LYS 428 HD3 -0.25 0.09 0.13 -0.04 1.68 1.61 3mtfA1 LYS 428 HE2 -0.20 0.01 -0.05 -0.04 2.99 2.71 3mtfA1 LYS 428 HE3 -0.34 -0.06 -0.04 -0.04 2.99 2.51 3mtfA1 PRO 429 HA 0.25 0.10 0.63 -0.51 4.44 4.91 3mtfA1 PRO 429 HB2 0.18 0.13 -0.05 -0.04 2.28 2.50 3mtfA1 PRO 429 HB3 0.37 -0.05 0.07 -0.04 2.02 2.36 3mtfA1 PRO 429 HG2 0.19 0.03 -0.02 -0.04 2.03 2.18 3mtfA1 PRO 429 HG3 0.21 0.02 0.03 -0.04 2.03 2.25 3mtfA1 PRO 429 HD2 -0.01 0.09 0.20 -0.04 3.68 3.91 3mtfA1 PRO 429 HD3 0.05 0.14 0.11 -0.04 3.65 3.91 3mtfA1 PRO 430 HA -0.69 0.01 0.45 -0.51 4.44 3.69 3mtfA1 PRO 430 HB2 -0.65 0.13 -0.01 -0.04 2.28 1.70 3mtfA1 PRO 430 HB3 -0.51 0.05 0.13 -0.04 2.02 1.65 3mtfA1 PRO 430 HG2 -0.59 0.05 0.01 -0.04 2.03 1.46 3mtfA1 PRO 430 HG3 -0.45 0.01 0.03 -0.04 2.03 1.58 3mtfA1 PRO 430 HD2 0.03 0.01 0.16 -0.04 3.68 3.84 3mtfA1 PRO 430 HD3 0.20 0.13 0.19 -0.04 3.65 4.13 3mtfA1 PHE 431 H -0.78 0.11 0.16 -0.55 8.34 7.28 3mtfA1 PHE 431 HA -0.30 -0.02 0.25 -0.75 4.62 3.79 3mtfA1 PHE 431 HB2 -0.15 0.31 -0.09 -0.04 3.15 3.18 3mtfA1 PHE 431 HB3 -0.15 -0.07 0.08 -0.04 3.06 2.88 3mtfA1 PHE 431 HD2 -0.24 0.04 -0.16 -0.04 7.28 6.88 3mtfA1 PHE 431 HE2 -0.20 0.07 -0.22 -0.04 7.38 6.98 3mtfA1 PHE 431 HZ -0.27 0.11 -0.04 -0.04 7.32 7.07 3mtfA1 TYR 432 H 0.18 0.33 -0.21 -0.55 8.29 8.04 3mtfA1 TYR 432 HA 0.04 0.10 0.23 -0.75 4.56 4.17 3mtfA1 TYR 432 HB2 0.04 -0.03 0.07 -0.04 3.06 3.10 3mtfA1 TYR 432 HB3 0.04 0.28 0.10 -0.04 2.98 3.36 3mtfA1 TYR 432 HD2 0.07 0.04 -0.10 -0.04 7.15 7.12 3mtfA1 TYR 432 HE2 0.18 -0.00 -0.05 -0.04 6.85 6.93 3mtfA1 ASP 433 H -0.71 -0.02 -0.41 -0.55 8.40 6.72 3mtfA1 ASP 433 HA -0.31 0.13 0.28 -0.75 4.63 3.96 3mtfA1 ASP 433 HB2 -0.33 0.03 0.05 -0.04 2.71 2.42 3mtfA1 ASP 433 HB3 -1.09 -0.01 0.01 -0.04 2.70 1.56 3mtfA1 VAL 434 H -0.11 0.38 -0.29 -0.55 8.24 7.66 3mtfA1 VAL 434 HA -0.08 0.21 0.97 -0.75 4.13 4.48 3mtfA1 VAL 434 HB -0.07 -0.01 0.07 -0.04 2.12 2.06 3mtfA1 VAL 434 HG13 -0.10 -0.02 -0.21 -0.04 0.97 0.60 3mtfA1 VAL 434 HG23 -0.00 -0.03 -0.10 -0.04 0.95 0.78 3mtfA1 VAL 435 H -0.01 0.42 0.11 -0.55 8.24 8.21 3mtfA1 VAL 435 HA -0.03 0.17 0.86 -0.75 4.13 4.37 3mtfA1 VAL 435 HB -0.02 -0.05 0.06 -0.04 2.12 2.06 3mtfA1 VAL 435 HG13 -0.11 -0.03 -0.25 -0.04 0.97 0.54 3mtfA1 VAL 435 HG23 0.03 0.07 -0.13 -0.04 0.95 0.88 3mtfA1 PRO 436 HA 0.04 0.13 0.58 -0.51 4.44 4.67 3mtfA1 PRO 436 HB2 0.03 0.20 0.01 -0.04 2.28 2.48 3mtfA1 PRO 436 HB3 0.02 -0.00 0.09 -0.04 2.02 2.08 3mtfA1 PRO 436 HG2 0.02 -0.02 -0.03 -0.04 2.03 1.95 3mtfA1 PRO 436 HG3 0.01 0.01 0.04 -0.04 2.03 2.05 3mtfA1 PRO 436 HD2 -0.01 0.01 0.20 -0.04 3.68 3.83 3mtfA1 PRO 436 HD3 -0.01 0.17 0.07 -0.04 3.65 3.84 3mtfA1 ASN 437 H 0.05 0.08 0.12 -0.55 8.53 8.24 3mtfA1 ASN 437 HA 0.08 0.06 0.59 -0.75 4.76 4.74 3mtfA1 ASN 437 HB2 0.05 -0.01 0.10 -0.04 2.88 2.99 3mtfA1 ASN 437 HB3 0.07 -0.02 0.06 -0.04 2.79 2.86 3mtfA1 ASN 437 HD21 0.07 0.04 0.04 -0.04 7.03 7.14 3mtfA1 ASN 437 HD22 0.05 -0.02 0.06 -0.04 7.74 7.79 3mtfA1 ASP 438 H 0.08 0.07 0.14 -0.55 8.40 8.14 3mtfA1 ASP 438 HA 0.07 -0.03 0.32 -0.75 4.63 4.24 3mtfA1 ASP 438 HB2 0.05 -0.06 -0.11 -0.04 2.71 2.55 3mtfA1 ASP 438 HB3 0.05 0.13 0.02 -0.04 2.70 2.86 3mtfA1 PRO 439 HA 0.03 0.01 0.29 -0.51 4.44 4.26 3mtfA1 PRO 439 HB2 -0.01 0.01 -0.10 -0.04 2.28 2.14 3mtfA1 PRO 439 HB3 0.01 0.13 -0.00 -0.04 2.02 2.12 3mtfA1 PRO 439 HG2 0.05 -0.10 -0.07 -0.04 2.03 1.87 3mtfA1 PRO 439 HG3 0.04 0.09 -0.04 -0.04 2.03 2.08 3mtfA1 PRO 439 HD2 0.08 -0.09 0.09 -0.04 3.68 3.72 3mtfA1 PRO 439 HD3 0.07 0.25 0.08 -0.04 3.65 4.01 3mtfA1 SER 440 H 0.02 0.07 0.19 -0.55 8.46 8.20 3mtfA1 SER 440 HA 0.07 0.19 0.60 -0.75 4.49 4.60 3mtfA1 SER 440 HB2 0.07 -0.06 0.20 -0.04 3.95 4.12 3mtfA1 SER 440 HB3 0.04 0.15 0.18 -0.04 3.93 4.25 3mtfA1 PHE 441 H 0.21 0.18 0.19 -0.55 8.34 8.36 3mtfA1 PHE 441 HA -0.02 0.13 0.42 -0.75 4.62 4.40 3mtfA1 PHE 441 HB2 0.00 0.03 0.18 -0.04 3.15 3.31 3mtfA1 PHE 441 HB3 -0.01 -0.04 0.16 -0.04 3.06 3.13 3mtfA1 PHE 441 HD2 -0.01 -0.04 -0.01 -0.04 7.28 7.17 3mtfA1 PHE 441 HE2 -0.02 0.02 -0.00 -0.04 7.38 7.34 3mtfA1 PHE 441 HZ -0.03 0.14 0.07 -0.04 7.32 7.46 3mtfA1 GLU 442 H 0.12 0.03 -0.09 -0.55 8.60 8.12 3mtfA1 GLU 442 HA -0.06 0.14 0.40 -0.75 4.29 4.02 3mtfA1 GLU 442 HB2 0.03 -0.07 0.10 -0.04 2.09 2.10 3mtfA1 GLU 442 HB3 0.00 0.08 0.01 -0.04 1.99 2.03 3mtfA1 GLU 442 HG2 0.05 0.06 0.03 -0.04 2.34 2.43 3mtfA1 GLU 442 HG3 0.10 0.07 0.02 -0.04 2.34 2.49 3mtfA1 ASP 443 H -0.02 -0.01 -0.14 -0.55 8.40 7.69 3mtfA1 ASP 443 HA -0.06 0.06 0.43 -0.75 4.63 4.31 3mtfA1 ASP 443 HB2 -0.03 0.20 0.09 -0.04 2.71 2.92 3mtfA1 ASP 443 HB3 -0.06 0.10 -0.03 -0.04 2.70 2.67 3mtfA1 MET 444 H -0.12 0.46 -0.27 -0.55 8.47 7.99 3mtfA1 MET 444 HA -0.26 0.03 0.30 -0.75 4.52 3.84 3mtfA1 MET 444 HB2 -0.23 0.06 0.09 -0.04 2.15 2.03 3mtfA1 MET 444 HB3 -0.25 0.06 -0.04 -0.04 2.03 1.76 3mtfA1 MET 444 HG2 -0.07 0.09 -0.15 -0.04 2.63 2.46 3mtfA1 MET 444 HG3 -0.06 0.05 -0.30 -0.04 2.56 2.20 3mtfA1 MET 444 HE3 -0.42 0.05 -0.03 -0.04 2.10 1.65 3mtfA1 ARG 445 H -0.31 0.60 -0.03 -0.55 8.46 8.17 3mtfA1 ARG 445 HA -0.29 -0.03 0.42 -0.75 4.34 3.69 3mtfA1 ARG 445 HB2 -0.44 0.14 0.16 -0.04 1.90 1.72 3mtfA1 ARG 445 HB3 -0.18 0.02 0.16 -0.04 1.80 1.76 3mtfA1 ARG 445 HG2 -0.14 -0.08 -0.08 -0.04 1.67 1.33 3mtfA1 ARG 445 HG3 -0.24 -0.02 -0.11 -0.04 1.67 1.25 3mtfA1 ARG 445 HD2 -0.06 -0.03 0.00 -0.04 3.22 3.08 3mtfA1 ARG 445 HD3 -0.13 0.21 0.05 -0.04 3.22 3.31 3mtfA1 LYS 446 H -0.14 0.66 -0.18 -0.55 8.42 8.21 3mtfA1 LYS 446 HA -0.09 -0.04 0.30 -0.75 4.32 3.73 3mtfA1 LYS 446 HB2 -0.07 -0.07 0.09 -0.04 1.87 1.78 3mtfA1 LYS 446 HB3 -0.09 0.21 0.21 -0.04 1.79 2.08 3mtfA1 LYS 446 HG2 -0.06 -0.01 -0.01 -0.04 1.46 1.34 3mtfA1 LYS 446 HG3 -0.08 0.03 -0.33 -0.04 1.46 1.03 3mtfA1 LYS 446 HD2 -0.06 -0.05 0.02 -0.04 1.69 1.56 3mtfA1 LYS 446 HD3 -0.05 -0.02 0.02 -0.04 1.68 1.59 3mtfA1 LYS 446 HE2 -0.04 -0.01 -0.01 -0.04 2.99 2.89 3mtfA1 LYS 446 HE3 -0.04 -0.01 -0.01 -0.04 2.99 2.89 3mtfA1 VAL 447 H -0.18 0.41 -0.16 -0.55 8.24 7.76 3mtfA1 VAL 447 HA -0.13 0.03 0.33 -0.75 4.13 3.61 3mtfA1 VAL 447 HB -0.27 0.06 0.11 -0.04 2.12 1.98 3mtfA1 VAL 447 HG13 -0.31 -0.01 -0.20 -0.04 0.97 0.41 3mtfA1 VAL 447 HG23 -0.12 0.01 -0.04 -0.04 0.95 0.77 3mtfA1 VAL 448 H -0.27 0.73 0.08 -0.55 8.24 8.23 3mtfA1 VAL 448 HA -0.15 0.18 0.57 -0.75 4.13 3.99 3mtfA1 VAL 448 HB -0.28 0.01 0.07 -0.04 2.12 1.88 3mtfA1 VAL 448 HG13 -0.21 0.01 -0.09 -0.04 0.97 0.64 3mtfA1 VAL 448 HG23 -0.47 0.02 -0.01 -0.04 0.95 0.46 3mtfA1 CYS 449 H -0.17 0.51 0.06 -0.55 8.50 8.35 3mtfA1 CYS 449 HA -0.11 0.10 0.53 -0.75 4.58 4.34 3mtfA1 CYS 449 HB2 -0.14 0.13 0.14 -0.04 2.97 3.06 3mtfA1 CYS 449 HB3 -0.11 -0.05 0.01 -0.04 2.97 2.78 3mtfA1 VAL 450 H -0.10 0.35 0.07 -0.55 8.24 8.00 3mtfA1 VAL 450 HA -0.06 0.07 0.42 -0.75 4.13 3.81 3mtfA1 VAL 450 HB -0.07 0.15 0.31 -0.04 2.12 2.47 3mtfA1 VAL 450 HG13 -0.04 -0.02 -0.10 -0.04 0.97 0.77 3mtfA1 VAL 450 HG23 -0.06 -0.01 -0.04 -0.04 0.95 0.79 3mtfA1 ASP 451 H -0.08 0.77 0.20 -0.55 8.40 8.75 3mtfA1 ASP 451 HA -0.04 0.05 0.55 -0.75 4.63 4.44 3mtfA1 ASP 451 HB2 -0.07 0.12 0.12 -0.04 2.71 2.83 3mtfA1 ASP 451 HB3 -0.05 -0.06 0.11 -0.04 2.70 2.65 3mtfA1 GLN 452 H -0.06 -0.01 -0.88 -0.55 8.47 6.97 3mtfA1 GLN 452 HA -0.02 0.32 0.26 -0.75 4.36 4.16 3mtfA1 GLN 452 HB2 -0.01 0.08 -0.67 -0.04 2.15 1.51 3mtfA1 GLN 452 HB3 0.01 -0.10 0.15 -0.04 2.02 2.04 3mtfA1 GLN 452 HG2 0.00 -0.04 0.03 -0.04 2.40 2.35 3mtfA1 GLN 452 HG3 -0.02 0.21 -0.16 -0.04 2.39 2.38 3mtfA1 GLN 452 HE21 0.01 -0.08 0.01 -0.04 6.97 6.87 3mtfA1 GLN 452 HE22 0.02 -0.03 0.03 -0.04 7.69 7.66 3mtfA1 GLN 453 H -0.06 0.60 -0.00 -0.55 8.47 8.47 3mtfA1 GLN 453 HA -0.03 0.06 0.44 -0.75 4.36 4.07 3mtfA1 GLN 453 HB2 -0.03 -0.05 -0.09 -0.04 2.15 1.95 3mtfA1 GLN 453 HB3 -0.01 -0.09 -0.04 -0.04 2.02 1.84 3mtfA1 GLN 453 HG2 -0.06 0.08 -0.15 -0.04 2.40 2.23 3mtfA1 GLN 453 HG3 -0.07 -0.10 -0.01 -0.04 2.39 2.17 3mtfA1 GLN 453 HE21 -0.05 -0.04 -0.02 -0.04 6.97 6.82 3mtfA1 GLN 453 HE22 -0.06 -0.03 -0.02 -0.04 7.69 7.55 3mtfA1 ARG 454 H -0.11 0.20 0.19 -0.55 8.46 8.19 3mtfA1 ARG 454 HA -0.40 0.16 0.59 -0.75 4.34 3.94 3mtfA1 ARG 454 HB2 -0.17 -0.06 -0.01 -0.04 1.90 1.62 3mtfA1 ARG 454 HB3 -0.69 0.02 0.03 -0.04 1.80 1.11 3mtfA1 ARG 454 HG2 -0.03 0.09 -0.47 -0.04 1.67 1.22 3mtfA1 ARG 454 HG3 0.01 -0.06 -0.07 -0.04 1.67 1.51 3mtfA1 ARG 454 HD2 -0.59 -0.08 0.05 -0.04 3.22 2.55 3mtfA1 ARG 454 HD3 -0.06 0.18 0.15 -0.04 3.22 3.45 3mtfA1 PRO 455 HA -0.74 -0.08 0.36 -0.51 4.44 3.48 3mtfA1 PRO 455 HB2 -1.27 0.07 -0.05 -0.04 2.28 0.98 3mtfA1 PRO 455 HB3 -2.40 -0.02 0.04 -0.04 2.02 -0.40 3mtfA1 PRO 455 HG2 -1.49 0.05 0.05 -0.04 2.03 0.59 3mtfA1 PRO 455 HG3 -1.82 -0.08 0.07 -0.04 2.03 0.16 3mtfA1 PRO 455 HD2 -2.52 0.14 0.11 -0.04 3.68 1.38 3mtfA1 PRO 455 HD3 -1.42 0.18 0.14 -0.04 3.65 2.51 3mtfA1 ASN 456 H -0.20 0.01 0.16 -0.55 8.53 7.95 3mtfA1 ASN 456 HA -0.04 0.09 0.38 -0.75 4.76 4.44 3mtfA1 ASN 456 HB2 0.01 -0.05 0.06 -0.04 2.88 2.86 3mtfA1 ASN 456 HB3 -0.03 0.02 -0.07 -0.04 2.79 2.68 3mtfA1 ASN 456 HD21 -0.08 0.03 -0.00 -0.04 7.03 6.93 3mtfA1 ASN 456 HD22 -0.05 -0.03 0.01 -0.04 7.74 7.62 3mtfA1 ILE 457 H 0.00 0.14 0.13 -0.55 8.25 7.97 3mtfA1 ILE 457 HA -0.56 0.19 0.73 -0.75 4.18 3.78 3mtfA1 ILE 457 HB 0.06 -0.05 0.09 -0.04 1.89 1.95 3mtfA1 ILE 457 HG12 0.13 0.01 0.04 -0.04 1.49 1.64 3mtfA1 ILE 457 HG13 0.21 -0.02 -0.01 -0.04 1.21 1.35 3mtfA1 ILE 457 HG23 -0.51 0.03 -0.09 -0.04 0.93 0.32 3mtfA1 ILE 457 HD13 0.27 0.02 -0.11 -0.04 0.88 1.03 3mtfA1 PRO 458 HA -0.27 0.04 0.46 -0.51 4.44 4.16 3mtfA1 PRO 458 HB2 -0.75 -0.12 -0.03 -0.04 2.28 1.35 3mtfA1 PRO 458 HB3 -0.28 0.03 0.05 -0.04 2.02 1.77 3mtfA1 PRO 458 HG2 -0.76 0.08 0.05 -0.04 2.03 1.35 3mtfA1 PRO 458 HG3 -0.42 0.07 0.03 -0.04 2.03 1.68 3mtfA1 PRO 458 HD2 -3.24 0.07 0.19 -0.04 3.68 0.65 3mtfA1 PRO 458 HD3 -0.78 0.41 0.16 -0.04 3.65 3.40 3mtfA1 ASN 459 H -0.06 0.15 0.16 -0.55 8.53 8.24 3mtfA1 ASN 459 HA 0.20 0.10 0.42 -0.75 4.76 4.74 3mtfA1 ASN 459 HB2 0.02 -0.05 0.13 -0.04 2.88 2.94 3mtfA1 ASN 459 HB3 0.07 0.03 -0.01 -0.04 2.79 2.84 3mtfA1 ASN 459 HD21 0.02 0.03 0.03 -0.04 7.03 7.06 3mtfA1 ASN 459 HD22 0.02 -0.00 0.03 -0.04 7.74 7.75 3mtfA1 ARG 460 H 0.00 0.09 -0.26 -0.55 8.46 7.75 3mtfA1 ARG 460 HA 0.09 0.05 0.15 -0.75 4.34 3.88 3mtfA1 ARG 460 HB2 0.09 0.05 0.00 -0.04 1.90 2.00 3mtfA1 ARG 460 HB3 0.06 -0.00 0.02 -0.04 1.80 1.84 3mtfA1 ARG 460 HG2 0.08 0.02 -0.09 -0.04 1.67 1.64 3mtfA1 ARG 460 HG3 0.14 -0.09 -0.13 -0.04 1.67 1.55 3mtfA1 ARG 460 HD2 0.26 -0.04 -0.41 -0.04 3.22 2.98 3mtfA1 ARG 460 HD3 0.10 0.09 -0.12 -0.04 3.22 3.25 3mtfA1 TRP 461 H 0.10 0.41 -0.46 -0.55 7.97 7.48 3mtfA1 TRP 461 HA -0.15 0.01 0.41 -0.75 4.62 4.14 3mtfA1 TRP 461 HB2 -0.57 0.15 -0.02 -0.04 3.23 2.76 3mtfA1 TRP 461 HB3 -0.35 -0.01 -0.17 -0.04 3.23 2.66 3mtfA1 TRP 461 HD1 -0.13 -0.13 -0.18 -0.04 7.22 6.74 3mtfA1 TRP 461 HE1 -0.18 0.05 -0.06 -0.04 10.20 9.97 3mtfA1 TRP 461 HE3 -0.24 0.00 -0.03 -0.04 7.59 7.29 3mtfA1 TRP 461 HZ2 -0.44 0.02 -0.11 -0.04 7.44 6.87 3mtfA1 TRP 461 HZ3 -0.01 -0.00 -0.06 -0.04 7.13 7.01 3mtfA1 TRP 461 HH2 -0.46 0.08 0.03 -0.04 7.19 6.80 3mtfA1 PHE 462 H -0.01 0.47 -0.14 -0.55 8.34 8.11 3mtfA1 PHE 462 HA 0.10 0.04 0.33 -0.75 4.62 4.33 3mtfA1 PHE 462 HB2 0.05 0.17 0.10 -0.04 3.15 3.44 3mtfA1 PHE 462 HB3 0.05 -0.04 0.09 -0.04 3.06 3.11 3mtfA1 PHE 462 HD2 0.04 0.02 0.03 -0.04 7.28 7.34 3mtfA1 PHE 462 HE2 0.03 0.01 -0.07 -0.04 7.38 7.31 3mtfA1 PHE 462 HZ 0.04 0.00 -0.04 -0.04 7.32 7.28 3mtfA1 SER 463 H 0.13 0.31 -0.66 -0.55 8.46 7.69 3mtfA1 SER 463 HA 0.09 0.15 0.76 -0.75 4.49 4.73 3mtfA1 SER 463 HB2 0.07 0.11 -0.02 -0.04 3.95 4.06 3mtfA1 SER 463 HB3 0.05 -0.05 0.11 -0.04 3.93 4.00 3mtfA1 ASP 464 H 0.05 0.57 -0.15 -0.55 8.40 8.32 3mtfA1 ASP 464 HA -0.00 0.17 0.84 -0.75 4.63 4.89 3mtfA1 ASP 464 HB2 -0.02 0.04 0.03 -0.04 2.71 2.72 3mtfA1 ASP 464 HB3 -0.05 0.08 0.16 -0.04 2.70 2.85 3mtfA1 PRO 465 HA 0.00 0.16 0.33 -0.51 4.44 4.42 3mtfA1 PRO 465 HB2 -0.02 0.04 -0.02 -0.04 2.28 2.24 3mtfA1 PRO 465 HB3 -0.00 0.09 0.07 -0.04 2.02 2.14 3mtfA1 PRO 465 HG2 -0.03 -0.03 0.15 -0.04 2.03 2.07 3mtfA1 PRO 465 HG3 -0.01 0.11 0.10 -0.04 2.03 2.19 3mtfA1 PRO 465 HD2 -0.03 0.06 0.24 -0.04 3.68 3.90 3mtfA1 PRO 465 HD3 -0.01 0.26 0.21 -0.04 3.65 4.07 3mtfA1 THR 466 H -0.06 0.16 0.06 -0.55 8.28 7.89 3mtfA1 THR 466 HA -0.08 0.10 0.51 -0.75 4.39 4.16 3mtfA1 THR 466 HB -0.13 0.01 0.04 -0.04 4.32 4.20 3mtfA1 THR 466 HG23 -0.12 0.02 -0.02 -0.04 1.22 1.06 3mtfA1 LEU 467 H -0.16 0.10 -0.31 -0.55 8.37 7.46 3mtfA1 LEU 467 HA -0.39 0.06 0.43 -0.75 4.35 3.69 3mtfA1 LEU 467 HB2 -0.23 0.15 0.11 -0.04 1.64 1.62 3mtfA1 LEU 467 HB3 -0.65 -0.02 0.03 -0.04 1.64 0.96 3mtfA1 LEU 467 HG -0.35 -0.15 -0.06 -0.04 1.64 1.03 3mtfA1 LEU 467 HD13 -0.37 0.03 -0.10 -0.04 0.93 0.45 3mtfA1 LEU 467 HD23 -1.01 0.02 -0.01 -0.04 0.89 -0.16 3mtfA1 THR 468 H -0.05 0.42 -0.15 -0.55 8.28 7.94 3mtfA1 THR 468 HA 0.03 0.02 0.49 -0.75 4.39 4.19 3mtfA1 THR 468 HB 0.04 0.00 0.14 -0.04 4.32 4.46 3mtfA1 THR 468 HG23 0.17 -0.02 -0.06 -0.04 1.22 1.27 3mtfA1 SER 469 H -0.04 0.61 -0.09 -0.55 8.46 8.40 3mtfA1 SER 469 HA -0.02 0.01 0.35 -0.75 4.49 4.08 3mtfA1 SER 469 HB2 -0.07 0.12 0.14 -0.04 3.95 4.11 3mtfA1 SER 469 HB3 -0.05 -0.04 -0.00 -0.04 3.93 3.80 3mtfA1 LEU 470 H -0.13 0.43 -0.23 -0.55 8.37 7.89 3mtfA1 LEU 470 HA -0.16 -0.00 0.38 -0.75 4.35 3.81 3mtfA1 LEU 470 HB2 -0.32 0.08 0.13 -0.04 1.64 1.49 3mtfA1 LEU 470 HB3 -0.26 -0.03 -0.01 -0.04 1.64 1.30 3mtfA1 LEU 470 HG -0.19 0.26 0.07 -0.04 1.64 1.74 3mtfA1 LEU 470 HD13 -0.29 -0.02 -0.07 -0.04 0.93 0.51 3mtfA1 LEU 470 HD23 -0.15 -0.02 -0.03 -0.04 0.89 0.64 3mtfA1 ALA 471 H -0.05 0.58 -0.23 -0.55 8.40 8.15 3mtfA1 ALA 471 HA 0.11 0.00 0.32 -0.75 4.34 4.02 3mtfA1 ALA 471 HB3 0.16 0.02 0.08 -0.04 1.41 1.63 3mtfA1 LYS 472 H 0.01 0.52 -0.15 -0.55 8.42 8.25 3mtfA1 LYS 472 HA -0.01 0.02 0.39 -0.75 4.32 3.96 3mtfA1 LYS 472 HB2 -0.01 0.10 0.12 -0.04 1.87 2.04 3mtfA1 LYS 472 HB3 -0.00 -0.05 0.01 -0.04 1.79 1.70 3mtfA1 LYS 472 HG2 0.08 -0.04 0.01 -0.04 1.46 1.47 3mtfA1 LYS 472 HG3 0.07 0.19 0.04 -0.04 1.46 1.72 3mtfA1 LYS 472 HD2 0.03 -0.02 -0.02 -0.04 1.69 1.64 3mtfA1 LYS 472 HD3 0.05 -0.02 -0.01 -0.04 1.68 1.65 3mtfA1 LYS 472 HE2 0.04 -0.03 -0.03 -0.04 2.99 2.93 3mtfA1 LYS 472 HE3 0.08 0.01 -0.05 -0.04 2.99 2.99 3mtfA1 LEU 473 H -0.11 0.57 -0.13 -0.55 8.37 8.15 3mtfA1 LEU 473 HA -0.13 -0.03 0.35 -0.75 4.35 3.78 3mtfA1 LEU 473 HB2 -0.19 0.16 0.17 -0.04 1.64 1.75 3mtfA1 LEU 473 HB3 -0.22 -0.07 -0.09 -0.04 1.64 1.22 3mtfA1 LEU 473 HG -0.08 0.08 0.02 -0.04 1.64 1.62 3mtfA1 LEU 473 HD13 -0.11 -0.02 -0.09 -0.04 0.93 0.67 3mtfA1 LEU 473 HD23 -0.07 -0.03 -0.02 -0.04 0.89 0.73 3mtfA1 MET 474 H -0.31 0.64 -0.14 -0.55 8.47 8.10 3mtfA1 MET 474 HA -0.73 -0.02 0.32 -0.75 4.52 3.33 3mtfA1 MET 474 HB2 -1.01 0.01 0.08 -0.04 2.15 1.19 3mtfA1 MET 474 HB3 -0.41 -0.04 0.07 -0.04 2.03 1.61 3mtfA1 MET 474 HG2 -0.25 0.16 0.16 -0.04 2.63 2.65 3mtfA1 MET 474 HG3 -0.86 0.01 -0.09 -0.04 2.56 1.57 3mtfA1 MET 474 HE3 -0.05 0.02 -0.38 -0.04 2.10 1.65 3mtfA1 LYS 475 H -0.40 0.49 -0.28 -0.55 8.42 7.68 3mtfA1 LYS 475 HA -0.27 0.04 0.32 -0.75 4.32 3.66 3mtfA1 LYS 475 HB2 -0.12 0.13 0.17 -0.04 1.87 2.00 3mtfA1 LYS 475 HB3 -0.09 -0.08 -0.02 -0.04 1.79 1.56 3mtfA1 LYS 475 HG2 0.14 -0.02 -0.01 -0.04 1.46 1.53 3mtfA1 LYS 475 HG3 -0.00 0.21 0.02 -0.04 1.46 1.64 3mtfA1 LYS 475 HD2 0.06 -0.03 -0.04 -0.04 1.69 1.64 3mtfA1 LYS 475 HD3 0.12 -0.02 -0.03 -0.04 1.68 1.71 3mtfA1 LYS 475 HE2 0.23 -0.02 -0.05 -0.04 2.99 3.11 3mtfA1 LYS 475 HE3 0.18 0.01 -0.17 -0.04 2.99 2.97 3mtfA1 GLU 476 H -0.28 0.50 -0.19 -0.55 8.60 8.09 3mtfA1 GLU 476 HA -0.69 0.07 0.73 -0.75 4.29 3.64 3mtfA1 GLU 476 HB2 -0.07 0.10 0.13 -0.04 2.09 2.21 3mtfA1 GLU 476 HB3 0.13 -0.08 0.18 -0.04 1.99 2.18 3mtfA1 GLU 476 HG2 0.13 -0.02 -0.00 -0.04 2.34 2.41 3mtfA1 GLU 476 HG3 -0.06 0.11 0.01 -0.04 2.34 2.36 3mtfA1 CYS 477 H -0.47 0.41 -0.43 -0.55 8.50 7.46 3mtfA1 CYS 477 HA 0.02 0.03 0.77 -0.75 4.58 4.65 3mtfA1 CYS 477 HB2 -0.70 0.15 0.15 -0.04 2.97 2.53 3mtfA1 CYS 477 HB3 -0.08 0.12 0.08 -0.04 2.97 3.05 3mtfA1 TRP 478 H -0.12 0.26 -0.37 -0.55 7.97 7.19 3mtfA1 TRP 478 HA 0.14 0.15 0.63 -0.75 4.62 4.79 3mtfA1 TRP 478 HB2 -0.19 0.14 0.09 -0.04 3.23 3.23 3mtfA1 TRP 478 HB3 -0.11 -0.04 0.09 -0.04 3.23 3.13 3mtfA1 TRP 478 HD1 -0.86 0.10 -0.21 -0.04 7.22 6.21 3mtfA1 TRP 478 HE1 -0.59 -0.15 -0.09 -0.04 10.20 9.33 3mtfA1 TRP 478 HE3 -0.17 -0.00 -0.08 -0.04 7.59 7.30 3mtfA1 TRP 478 HZ2 -0.24 -0.06 -0.29 -0.04 7.44 6.82 3mtfA1 TRP 478 HZ3 -0.12 0.07 -0.11 -0.04 7.13 6.93 3mtfA1 TRP 478 HH2 -0.12 -0.03 -0.11 -0.04 7.19 6.90 3mtfA1 TYR 479 H -0.01 0.06 -0.14 -0.55 8.29 7.65 3mtfA1 TYR 479 HA 0.19 0.01 0.53 -0.75 4.56 4.54 3mtfA1 TYR 479 HB2 0.15 0.05 -0.13 -0.04 3.06 3.08 3mtfA1 TYR 479 HB3 0.11 -0.12 -0.01 -0.04 2.98 2.91 3mtfA1 TYR 479 HD2 0.09 0.01 -0.15 -0.04 7.15 7.06 3mtfA1 TYR 479 HE2 0.05 0.01 0.02 -0.04 6.85 6.89 3mtfA1 GLN 480 H 0.25 0.09 0.17 -0.55 8.47 8.44 3mtfA1 GLN 480 HA 0.12 0.13 0.43 -0.75 4.36 4.28 3mtfA1 GLN 480 HB2 0.10 0.10 0.16 -0.04 2.15 2.46 3mtfA1 GLN 480 HB3 0.07 -0.09 0.07 -0.04 2.02 2.03 3mtfA1 GLN 480 HG2 -0.02 -0.10 -0.06 -0.04 2.40 2.18 3mtfA1 GLN 480 HG3 -0.03 0.03 0.08 -0.04 2.39 2.42 3mtfA1 GLN 480 HE21 -0.03 0.12 0.07 -0.04 6.97 7.08 3mtfA1 GLN 480 HE22 -0.06 -0.11 0.03 -0.04 7.69 7.50 3mtfA1 ASN 481 H 0.13 0.04 -0.10 -0.55 8.53 8.05 3mtfA1 ASN 481 HA 0.03 0.13 0.54 -0.75 4.76 4.70 3mtfA1 ASN 481 HB2 0.02 0.06 0.06 -0.04 2.88 2.97 3mtfA1 ASN 481 HB3 0.02 -0.00 0.11 -0.04 2.79 2.88 3mtfA1 ASN 481 HD21 -0.03 0.03 -0.11 -0.04 7.03 6.87 3mtfA1 ASN 481 HD22 -0.05 0.06 -0.04 -0.04 7.74 7.67 3mtfA1 PRO 482 HA 0.11 0.21 0.12 -0.51 4.44 4.37 3mtfA1 PRO 482 HB2 -0.01 -0.03 0.01 -0.04 2.28 2.21 3mtfA1 PRO 482 HB3 0.01 0.02 0.04 -0.04 2.02 2.05 3mtfA1 PRO 482 HG2 -0.04 -0.03 0.08 -0.04 2.03 2.00 3mtfA1 PRO 482 HG3 -0.03 0.07 0.10 -0.04 2.03 2.12 3mtfA1 PRO 482 HD2 -0.01 0.01 0.19 -0.04 3.68 3.83 3mtfA1 PRO 482 HD3 -0.00 0.40 0.44 -0.04 3.65 4.44 3mtfA1 SER 483 H 0.01 0.08 -0.21 -0.55 8.46 7.79 3mtfA1 SER 483 HA 0.01 0.06 0.35 -0.75 4.49 4.16 3mtfA1 SER 483 HB2 -0.01 0.03 -0.12 -0.04 3.95 3.80 3mtfA1 SER 483 HB3 -0.01 0.02 0.02 -0.04 3.93 3.92 3mtfA1 ALA 484 H 0.02 0.36 -0.36 -0.55 8.40 7.88 3mtfA1 ALA 484 HA -0.08 0.07 0.53 -0.75 4.34 4.10 3mtfA1 ALA 484 HB3 -0.36 -0.00 0.05 -0.04 1.41 1.05 3mtfA1 ARG 485 H 0.14 0.30 -0.34 -0.55 8.46 8.00 3mtfA1 ARG 485 HA 0.34 0.21 0.32 -0.75 4.34 4.45 3mtfA1 ARG 485 HB2 0.17 0.02 0.11 -0.04 1.90 2.16 3mtfA1 ARG 485 HB3 0.19 0.01 0.08 -0.04 1.80 2.04 3mtfA1 ARG 485 HG2 0.32 -0.07 -0.36 -0.04 1.67 1.52 3mtfA1 ARG 485 HG3 0.30 -0.08 -0.13 -0.04 1.67 1.71 3mtfA1 ARG 485 HD2 0.23 -0.11 0.07 -0.04 3.22 3.37 3mtfA1 ARG 485 HD3 0.39 0.15 0.03 -0.04 3.22 3.75 3mtfA1 LEU 486 H 0.13 0.40 0.20 -0.55 8.37 8.56 3mtfA1 LEU 486 HA 0.08 -0.00 0.52 -0.75 4.35 4.19 3mtfA1 LEU 486 HB2 0.04 0.03 -0.05 -0.04 1.64 1.61 3mtfA1 LEU 486 HB3 0.05 -0.08 0.02 -0.04 1.64 1.59 3mtfA1 LEU 486 HG 0.06 0.10 0.05 -0.04 1.64 1.81 3mtfA1 LEU 486 HD13 -0.02 0.00 -0.06 -0.04 0.93 0.81 3mtfA1 LEU 486 HD23 0.06 -0.01 0.02 -0.04 0.89 0.91 3mtfA1 THR 487 H 0.07 0.04 0.19 -0.55 8.28 8.03 3mtfA1 THR 487 HA 0.12 0.27 0.75 -0.75 4.39 4.79 3mtfA1 THR 487 HB 0.10 -0.02 0.14 -0.04 4.32 4.49 3mtfA1 THR 487 HG23 0.06 0.06 0.01 -0.04 1.22 1.31 3mtfA1 ALA 488 H 0.17 0.24 0.13 -0.55 8.40 8.39 3mtfA1 ALA 488 HA 0.12 0.12 0.36 -0.75 4.34 4.18 3mtfA1 ALA 488 HB3 -0.06 0.04 0.03 -0.04 1.41 1.38 3mtfA1 LEU 489 H 0.07 0.09 -0.20 -0.55 8.37 7.79 3mtfA1 LEU 489 HA 0.04 0.11 0.24 -0.75 4.35 3.98 3mtfA1 LEU 489 HB2 0.05 0.02 0.08 -0.04 1.64 1.75 3mtfA1 LEU 489 HB3 0.05 0.01 0.02 -0.04 1.64 1.67 3mtfA1 LEU 489 HG 0.03 0.01 -0.05 -0.04 1.64 1.59 3mtfA1 LEU 489 HD13 0.03 0.01 -0.01 -0.04 0.93 0.93 3mtfA1 LEU 489 HD23 0.03 0.02 -0.02 -0.04 0.89 0.88 3mtfA1 ARG 490 H 0.06 0.05 -0.29 -0.55 8.46 7.72 3mtfA1 ARG 490 HA 0.03 0.07 0.40 -0.75 4.34 4.10 3mtfA1 ARG 490 HB2 0.04 -0.02 0.11 -0.04 1.90 2.00 3mtfA1 ARG 490 HB3 0.05 0.05 0.17 -0.04 1.80 2.03 3mtfA1 ARG 490 HG2 0.04 0.04 0.02 -0.04 1.67 1.72 3mtfA1 ARG 490 HG3 0.03 0.03 -0.16 -0.04 1.67 1.52 3mtfA1 ARG 490 HD2 0.03 -0.02 0.03 -0.04 3.22 3.22 3mtfA1 ARG 490 HD3 0.03 0.04 0.00 -0.04 3.22 3.25 3mtfA1 ILE 491 H 0.07 0.48 -0.17 -0.55 8.25 8.08 3mtfA1 ILE 491 HA 0.01 0.03 0.28 -0.75 4.18 3.74 3mtfA1 ILE 491 HB 0.18 0.09 0.12 -0.04 1.89 2.24 3mtfA1 ILE 491 HG12 -0.02 0.00 -0.06 -0.04 1.49 1.36 3mtfA1 ILE 491 HG13 0.06 0.09 -0.06 -0.04 1.21 1.27 3mtfA1 ILE 491 HG23 0.02 -0.01 -0.13 -0.04 0.93 0.77 3mtfA1 ILE 491 HD13 0.09 -0.01 -0.18 -0.04 0.88 0.74 3mtfA1 LYS 492 H 0.07 0.55 -0.17 -0.55 8.42 8.32 3mtfA1 LYS 492 HA 0.06 -0.01 0.23 -0.75 4.32 3.84 3mtfA1 LYS 492 HB2 0.04 0.04 -0.03 -0.04 1.87 1.87 3mtfA1 LYS 492 HB3 0.04 0.10 0.10 -0.04 1.79 1.98 3mtfA1 LYS 492 HG2 0.03 0.02 -0.25 -0.04 1.46 1.22 3mtfA1 LYS 492 HG3 0.03 -0.03 -0.08 -0.04 1.46 1.35 3mtfA1 LYS 492 HD2 0.02 -0.02 -0.08 -0.04 1.69 1.58 3mtfA1 LYS 492 HD3 0.03 0.01 -0.06 -0.04 1.68 1.63 3mtfA1 LYS 492 HE2 0.03 0.03 -0.06 -0.04 2.99 2.95 3mtfA1 LYS 492 HE3 0.04 -0.06 -0.02 -0.04 2.99 2.91 3mtfA1 LYS 493 H 0.03 0.48 -0.19 -0.55 8.42 8.18 3mtfA1 LYS 493 HA 0.02 0.02 0.36 -0.75 4.32 3.96 3mtfA1 LYS 493 HB2 0.02 0.00 0.10 -0.04 1.87 1.96 3mtfA1 LYS 493 HB3 0.02 0.08 0.17 -0.04 1.79 2.01 3mtfA1 THR 494 H 0.01 0.52 -0.07 -0.55 8.28 8.19 3mtfA1 THR 494 HA -0.00 0.01 0.50 -0.75 4.39 4.15 3mtfA1 THR 494 HB -0.01 0.13 0.12 -0.04 4.32 4.52 3mtfA1 THR 494 HG23 -0.02 -0.02 -0.11 -0.04 1.22 1.02 3mtfA1 LEU 495 H 0.00 0.56 -0.14 -0.55 8.37 8.24 3mtfA1 LEU 495 HA -0.03 -0.03 0.44 -0.75 4.35 3.98 3mtfA1 LEU 495 HB2 0.01 0.12 0.07 -0.04 1.64 1.81 3mtfA1 LEU 495 HB3 -0.01 -0.05 -0.02 -0.04 1.64 1.52 3mtfA1 LEU 495 HG -0.02 0.16 0.01 -0.04 1.64 1.75 3mtfA1 LEU 495 HD13 0.04 -0.05 -0.25 -0.04 0.93 0.63 3mtfA1 LEU 495 HD23 -0.07 -0.02 -0.05 -0.04 0.89 0.71 3mtfA1 THR 496 H 0.00 0.41 -0.30 -0.55 8.28 7.85 3mtfA1 THR 496 HA -0.00 0.02 0.43 -0.75 4.39 4.08 3mtfA1 THR 496 HB 0.01 0.13 0.08 -0.04 4.32 4.50 3mtfA1 THR 496 HG23 0.00 -0.03 0.02 -0.04 1.22 1.17 3mtfA1 LYS 497 H -0.01 0.30 -0.51 -0.55 8.42 7.65 3mtfA1 LYS 497 HA -0.00 0.04 0.63 -0.75 4.32 4.23 3mtfA1 LYS 497 HB2 -0.01 0.01 0.20 -0.04 1.87 2.03 3mtfA1 LYS 497 HB3 -0.00 -0.10 0.05 -0.04 1.79 1.69 3mtfA1 LYS 497 HG2 0.00 0.26 0.08 -0.04 1.46 1.76 3mtfA1 LYS 497 HG3 0.00 -0.10 0.06 -0.04 1.46 1.38 3mtfA1 LYS 497 HD2 0.00 -0.05 -0.00 -0.04 1.69 1.60 3mtfA1 LYS 497 HD3 0.00 0.00 -0.04 -0.04 1.68 1.60 3mtfA1 LYS 497 HE2 0.01 0.00 -0.10 -0.04 2.99 2.86 3mtfA1 LYS 497 HE3 0.01 -0.03 -0.05 -0.04 2.99 2.88 3mtfA1 ILE 498 H -0.02 0.27 -0.01 -0.55 8.25 7.94 3mtfA1 ILE 498 HA -0.02 -0.02 0.08 -0.75 4.18 3.46 3mtfA1 ILE 498 HB -0.03 0.12 0.01 -0.04 1.89 1.94 3mtfA1 ILE 498 HG12 -0.03 0.16 0.11 -0.04 1.49 1.69 3mtfA1 ILE 498 HG13 -0.05 -0.06 0.04 -0.04 1.21 1.09 3mtfA1 ILE 498 HG23 -0.04 -0.03 0.03 -0.04 0.93 0.85 3mtfA1 ILE 498 HD13 -0.03 -0.03 0.02 -0.04 0.88 0.79