============================================================================= 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 18 0.840 -23.769 -51.680 -12.295 -99.200 -91.000 TRP 22 1.040 -15.544 -51.312 -19.021 -99.200 -91.000 TRP6 22 1.020 -14.835 -52.579 -20.887 -99.200 -91.000 TRP 26 1.040 -4.357 -41.539 -15.541 -99.200 -91.000 TRP6 26 1.020 -4.081 -40.929 -13.276 -99.200 -91.000 PHE 36 1.000 -21.852 -43.307 -12.910 -99.200 -91.000 TRP 44 1.040 -20.595 -38.732 -14.124 -99.200 -91.000 TRP6 44 1.020 -20.917 -36.465 -14.667 -99.200 -91.000 PHE 45 1.000 -25.018 -32.633 -10.875 -99.200 -91.000 TYR 51 0.840 -15.710 -40.014 -4.287 -99.200 -91.000 HIS 58 0.900 -11.587 -43.381 6.769 -99.200 -91.000 PHE 64 1.000 -13.454 -38.073 -7.976 -99.200 -91.000 HIS 73 0.900 -18.934 -47.770 -30.515 -99.200 -91.000 TRP 79 1.040 -16.058 -43.101 -19.280 -99.200 -91.000 TRP6 79 1.020 -13.890 -43.700 -20.026 -99.200 -91.000 HIS 83 0.900 -6.713 -44.602 -5.244 -99.200 -91.000 TYR 84 0.840 -8.792 -53.261 -10.900 -99.200 -91.000 HIS 85 0.900 -9.082 -50.732 -3.592 -99.200 -91.000 TYR 91 0.840 -22.167 -61.339 -4.484 -99.200 -91.000 TYR 93 0.840 -11.405 -61.782 0.396 -99.200 -91.000 HIS 117 0.900 -13.806 -39.896 7.388 -99.200 -91.000 HIS 119 0.900 -23.857 -43.341 8.965 -99.200 -91.000 PHE 123 1.000 -19.232 -29.085 13.325 -99.200 -91.000 HIS 133 0.900 -23.357 -46.272 0.230 -99.200 -91.000 HIS 160 0.900 -28.301 -32.034 8.948 -99.200 -91.000 TYR 180 0.840 -27.784 -56.132 0.963 -99.200 -91.000 PHE 195 1.000 -27.362 -37.001 7.862 -99.200 -91.000 TYR 198 0.840 -32.686 -39.599 4.258 -99.200 -91.000 TRP 204 1.040 -32.154 -53.301 7.247 -99.200 -91.000 TRP6 204 1.020 -33.642 -54.515 8.598 -99.200 -91.000 PHE 206 1.000 -21.431 -52.654 10.001 -99.200 -91.000 TRP 211 1.040 -26.867 -63.647 8.623 -99.200 -91.000 TRP6 211 1.020 -27.193 -64.419 6.428 -99.200 -91.000 TYR 226 0.840 -22.529 -64.507 -0.309 -99.200 -91.000 PHE 230 1.000 -33.998 -60.287 4.952 -99.200 -91.000 TYR 231 0.840 -30.163 -68.613 2.341 -99.200 -91.000 PHE 240 1.000 -41.071 -50.714 -1.950 -99.200 -91.000 TRP 260 1.040 -22.612 -67.873 13.114 -99.200 -91.000 TRP6 260 1.020 -23.575 -65.974 12.125 -99.200 -91.000 PHE 261 1.000 -26.472 -67.296 19.416 -99.200 -91.000 TRP 277 1.040 -30.322 -57.086 11.129 -99.200 -91.000 TRP6 277 1.020 -29.773 -59.354 11.462 -99.200 -91.000 TYR 278 0.840 -32.690 -53.333 18.934 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3mtfB1 ARG 202 HA 0.00 -0.00 0.21 -0.75 4.34 3.79 3mtfB1 THR 203 H -0.03 0.03 0.07 -0.55 8.28 7.80 3mtfB1 THR 203 HA 0.02 0.28 0.70 -0.75 4.39 4.63 3mtfB1 THR 203 HB -0.00 0.01 0.19 -0.04 4.32 4.48 3mtfB1 THR 203 HG23 -0.01 0.03 -0.02 -0.04 1.22 1.18 3mtfB1 VAL 204 H -0.04 0.16 0.11 -0.55 8.24 7.93 3mtfB1 VAL 204 HA -0.01 0.14 -0.04 -0.75 4.13 3.47 3mtfB1 VAL 204 HB -0.17 -0.04 -0.02 -0.04 2.12 1.86 3mtfB1 VAL 204 HG13 -0.68 0.02 -0.13 -0.04 0.97 0.13 3mtfB1 VAL 204 HG23 -0.08 0.03 0.02 -0.04 0.95 0.88 3mtfB1 ALA 205 H -0.08 0.02 -0.17 -0.55 8.40 7.62 3mtfB1 ALA 205 HA 0.04 0.14 0.56 -0.75 4.34 4.33 3mtfB1 ALA 205 HB3 -0.42 0.00 -0.08 -0.04 1.41 0.87 3mtfB1 ARG 206 H -0.07 0.12 -0.25 -0.55 8.46 7.71 3mtfB1 ARG 206 HA -0.07 0.04 0.44 -0.75 4.34 3.99 3mtfB1 ASP 207 H 0.07 0.18 -0.62 -0.55 8.40 7.49 3mtfB1 ASP 207 HA 0.10 0.17 0.78 -0.75 4.63 4.93 3mtfB1 ASP 207 HB2 0.35 0.06 -0.06 -0.04 2.71 3.02 3mtfB1 ASP 207 HB3 0.26 -0.13 0.13 -0.04 2.70 2.92 3mtfB1 ILE 208 H 0.11 0.47 -0.30 -0.55 8.25 7.98 3mtfB1 ILE 208 HA 0.21 0.40 1.20 -0.75 4.18 5.23 3mtfB1 ILE 208 HB 0.26 0.03 0.11 -0.04 1.89 2.25 3mtfB1 ILE 208 HG12 0.18 -0.02 -0.18 -0.04 1.49 1.43 3mtfB1 ILE 208 HG13 0.09 0.07 -0.30 -0.04 1.21 1.02 3mtfB1 ILE 208 HG23 0.18 -0.05 -0.35 -0.04 0.93 0.67 3mtfB1 ILE 208 HD13 -0.14 -0.05 -0.21 -0.04 0.88 0.43 3mtfB1 THR 209 H 0.10 0.48 0.26 -0.55 8.28 8.58 3mtfB1 THR 209 HA 0.06 0.15 0.87 -0.75 4.39 4.72 3mtfB1 THR 209 HB 0.04 -0.07 0.08 -0.04 4.32 4.33 3mtfB1 THR 209 HG23 0.01 0.03 -0.09 -0.04 1.22 1.13 3mtfB1 LEU 210 H -0.07 0.17 0.09 -0.55 8.37 8.02 3mtfB1 LEU 210 HA -0.09 0.04 0.65 -0.75 4.35 4.20 3mtfB1 LEU 210 HB2 -0.57 0.02 0.04 -0.04 1.64 1.09 3mtfB1 LEU 210 HB3 -0.91 -0.01 -0.09 -0.04 1.64 0.58 3mtfB1 LEU 210 HG -0.24 0.03 -0.06 -0.04 1.64 1.34 3mtfB1 LEU 210 HD13 -1.13 -0.00 -0.11 -0.04 0.93 -0.35 3mtfB1 LEU 210 HD23 -0.79 -0.00 -0.20 -0.04 0.89 -0.14 3mtfB1 LEU 211 H 0.19 0.59 0.40 -0.55 8.37 9.01 3mtfB1 LEU 211 HA 0.13 0.20 0.99 -0.75 4.35 4.92 3mtfB1 LEU 211 HB2 0.05 0.09 0.01 -0.04 1.64 1.76 3mtfB1 LEU 211 HB3 0.06 -0.03 -0.09 -0.04 1.64 1.54 3mtfB1 LEU 211 HG 0.04 0.01 -0.34 -0.04 1.64 1.30 3mtfB1 LEU 211 HD13 0.00 -0.01 -0.18 -0.04 0.93 0.70 3mtfB1 LEU 211 HD23 0.04 0.02 -0.10 -0.04 0.89 0.82 3mtfB1 GLU 212 H 0.27 0.42 0.32 -0.55 8.60 9.07 3mtfB1 GLU 212 HA 0.04 0.18 0.85 -0.75 4.29 4.60 3mtfB1 GLU 212 HB2 0.02 -0.06 0.10 -0.04 2.09 2.11 3mtfB1 GLU 212 HB3 -0.03 0.02 -0.15 -0.04 1.99 1.78 3mtfB1 GLU 212 HG2 -0.01 0.03 0.05 -0.04 2.34 2.37 3mtfB1 GLU 212 HG3 0.03 0.07 -0.14 -0.04 2.34 2.26 3mtfB1 CYS 213 H -0.57 0.21 0.13 -0.55 8.50 7.73 3mtfB1 CYS 213 HA -1.18 0.13 0.88 -0.75 4.58 3.66 3mtfB1 CYS 213 HB2 -2.59 -0.01 0.04 -0.04 2.97 0.37 3mtfB1 CYS 213 HB3 -0.77 0.01 0.16 -0.04 2.97 2.33 3mtfB1 VAL 214 H -0.27 0.56 0.41 -0.55 8.24 8.39 3mtfB1 VAL 214 HA -0.10 0.22 0.73 -0.75 4.13 4.22 3mtfB1 VAL 214 HB 0.00 -0.00 0.10 -0.04 2.12 2.18 3mtfB1 VAL 214 HG13 0.06 0.01 -0.11 -0.04 0.97 0.89 3mtfB1 VAL 214 HG23 0.03 -0.01 -0.17 -0.04 0.95 0.77 3mtfB1 GLY 215 H -0.19 0.26 0.21 -0.55 8.43 8.16 3mtfB1 GLY 215 HA2 -0.06 0.12 0.28 -0.51 4.01 3.84 3mtfB1 GLY 215 HA3 0.02 0.05 0.49 -0.51 4.01 4.05 3mtfB1 LYS 216 H -0.02 0.28 0.11 -0.55 8.42 8.23 3mtfB1 LYS 216 HA -0.28 0.29 1.06 -0.75 4.32 4.64 3mtfB1 LYS 216 HB2 -0.15 0.01 -0.36 -0.04 1.87 1.33 3mtfB1 LYS 216 HB3 -0.10 -0.01 0.03 -0.04 1.79 1.66 3mtfB1 LYS 216 HG2 -0.11 -0.00 -0.12 -0.04 1.46 1.19 3mtfB1 LYS 216 HG3 -0.14 0.10 0.04 -0.04 1.46 1.42 3mtfB1 LYS 216 HD2 -0.03 -0.02 -0.06 -0.04 1.69 1.55 3mtfB1 LYS 216 HD3 -0.06 -0.02 -0.06 -0.04 1.68 1.50 3mtfB1 LYS 216 HE2 0.01 -0.01 -0.05 -0.04 2.99 2.90 3mtfB1 LYS 216 HE3 -0.03 -0.01 -0.07 -0.04 2.99 2.85 3mtfB1 GLY 217 H -0.83 0.53 0.29 -0.55 8.43 7.87 3mtfB1 GLY 217 HA2 -0.09 0.23 0.71 -0.51 4.01 4.36 3mtfB1 GLY 217 HA3 -0.08 -0.06 0.42 -0.51 4.01 3.78 3mtfB1 ARG 218 H 0.03 0.17 0.18 -0.55 8.46 8.29 3mtfB1 ARG 218 HA -0.02 0.13 0.40 -0.75 4.34 4.10 3mtfB1 ARG 218 HB2 0.09 -0.01 0.10 -0.04 1.90 2.04 3mtfB1 ARG 218 HB3 0.05 0.04 0.07 -0.04 1.80 1.93 3mtfB1 ARG 218 HG2 0.02 0.05 0.04 -0.04 1.67 1.74 3mtfB1 ARG 218 HG3 0.04 -0.05 0.10 -0.04 1.67 1.72 3mtfB1 TYR 219 H 0.18 0.01 -0.16 -0.55 8.29 7.77 3mtfB1 TYR 219 HA 0.06 0.07 0.40 -0.75 4.56 4.33 3mtfB1 TYR 219 HB2 0.00 0.01 -0.04 -0.04 3.06 2.99 3mtfB1 TYR 219 HB3 0.03 0.01 0.03 -0.04 2.98 3.00 3mtfB1 TYR 219 HD2 -0.05 -0.03 -0.19 -0.04 7.15 6.84 3mtfB1 TYR 219 HE2 -0.04 0.01 -0.29 -0.04 6.85 6.49 3mtfB1 GLY 220 H -0.56 0.32 -0.35 -0.55 8.43 7.30 3mtfB1 GLY 220 HA2 -0.10 0.05 0.40 -0.51 4.01 3.85 3mtfB1 GLY 220 HA3 -0.07 0.20 0.37 -0.51 4.01 4.00 3mtfB1 GLU 221 H -0.02 0.58 0.33 -0.55 8.60 8.94 3mtfB1 GLU 221 HA -0.13 0.27 1.12 -0.75 4.29 4.79 3mtfB1 GLU 221 HB2 0.31 -0.06 -0.07 -0.04 2.09 2.23 3mtfB1 GLU 221 HB3 -0.05 0.06 0.12 -0.04 1.99 2.08 3mtfB1 GLU 221 HG2 -0.03 0.06 -0.16 -0.04 2.34 2.17 3mtfB1 GLU 221 HG3 0.04 -0.08 -0.25 -0.04 2.34 2.01 3mtfB1 VAL 222 H -0.06 0.47 0.36 -0.55 8.24 8.46 3mtfB1 VAL 222 HA 0.12 0.36 1.06 -0.75 4.13 4.91 3mtfB1 VAL 222 HB 0.05 -0.05 0.02 -0.04 2.12 2.10 3mtfB1 VAL 222 HG13 0.08 0.00 -0.14 -0.04 0.97 0.87 3mtfB1 VAL 222 HG23 0.11 -0.01 -0.28 -0.04 0.95 0.74 3mtfB1 TRP 223 H 0.20 0.47 0.34 -0.55 7.97 8.43 3mtfB1 TRP 223 HA -0.02 0.17 1.18 -0.75 4.62 5.20 3mtfB1 TRP 223 HB2 -0.20 0.00 -0.01 -0.04 3.23 2.99 3mtfB1 TRP 223 HB3 -0.10 0.05 -0.18 -0.04 3.23 2.95 3mtfB1 TRP 223 HD1 -0.17 0.02 -0.35 -0.04 7.22 6.68 3mtfB1 TRP 223 HE1 -0.07 0.00 -0.14 -0.04 10.20 9.95 3mtfB1 TRP 223 HE3 -0.04 -0.05 -0.41 -0.04 7.59 7.04 3mtfB1 TRP 223 HZ2 -0.00 0.01 -0.09 -0.04 7.44 7.32 3mtfB1 TRP 223 HZ3 -0.01 0.13 -0.36 -0.04 7.13 6.86 3mtfB1 TRP 223 HH2 0.01 0.04 -0.10 -0.04 7.19 7.10 3mtfB1 ARG 224 H 0.10 0.52 0.37 -0.55 8.46 8.90 3mtfB1 ARG 224 HA -0.16 0.23 1.04 -0.75 4.34 4.70 3mtfB1 ARG 224 HB2 -0.21 -0.01 0.16 -0.04 1.90 1.80 3mtfB1 ARG 224 HB3 -0.08 -0.07 0.26 -0.04 1.80 1.87 3mtfB1 ARG 224 HG2 -0.28 0.03 -0.12 -0.04 1.67 1.26 3mtfB1 ARG 224 HG3 -1.10 0.03 0.09 -0.04 1.67 0.65 3mtfB1 ARG 224 HD2 -0.34 0.00 -0.02 -0.04 3.22 2.82 3mtfB1 ARG 224 HD3 -0.33 -0.01 -0.00 -0.04 3.22 2.84 3mtfB1 GLY 225 H -0.05 0.80 0.33 -0.55 8.43 8.97 3mtfB1 GLY 225 HA2 0.02 0.09 1.01 -0.51 4.01 4.62 3mtfB1 GLY 225 HA3 -0.02 0.01 0.21 -0.51 4.01 3.71 3mtfB1 SER 226 H 0.04 0.81 0.30 -0.55 8.46 9.06 3mtfB1 SER 226 HA 0.07 0.33 0.71 -0.75 4.49 4.84 3mtfB1 SER 226 HB2 0.02 0.05 -0.13 -0.04 3.95 3.85 3mtfB1 SER 226 HB3 0.04 0.02 0.07 -0.04 3.93 4.02 3mtfB1 TRP 227 H 0.20 0.61 0.03 -0.55 7.97 8.26 3mtfB1 TRP 227 HA 0.02 0.41 0.96 -0.75 4.62 5.26 3mtfB1 TRP 227 HB2 0.02 -0.03 -0.14 -0.04 3.23 3.04 3mtfB1 TRP 227 HB3 0.00 0.05 0.08 -0.04 3.23 3.32 3mtfB1 TRP 227 HD1 0.02 0.20 -0.07 -0.04 7.22 7.33 3mtfB1 TRP 227 HE1 0.00 -0.02 -0.10 -0.04 10.20 10.05 3mtfB1 TRP 227 HE3 0.00 0.02 -0.08 -0.04 7.59 7.48 3mtfB1 TRP 227 HZ2 -0.00 -0.01 -0.06 -0.04 7.44 7.33 3mtfB1 TRP 227 HZ3 0.00 -0.00 -0.06 -0.04 7.13 7.04 3mtfB1 TRP 227 HH2 -0.01 0.01 -0.04 -0.04 7.19 7.12 3mtfB1 GLN 228 H 0.09 0.41 0.12 -0.55 8.47 8.55 3mtfB1 GLN 228 HA -0.06 0.05 0.32 -0.75 4.36 3.91 3mtfB1 GLN 228 HB2 -0.55 0.14 -0.05 -0.04 2.15 1.65 3mtfB1 GLN 228 HB3 -0.22 -0.01 0.22 -0.04 2.02 1.97 3mtfB1 GLN 228 HG2 -0.09 0.01 0.06 -0.04 2.40 2.34 3mtfB1 GLN 228 HG3 -0.11 0.04 -0.04 -0.04 2.39 2.24 3mtfB1 GLN 228 HE21 -0.00 -0.01 -0.04 -0.04 6.97 6.88 3mtfB1 GLN 228 HE22 0.05 0.03 -0.03 -0.04 7.69 7.69 3mtfB1 GLY 229 H 0.01 0.02 -0.43 -0.55 8.43 7.49 3mtfB1 GLY 229 HA2 -0.00 -0.02 0.20 -0.51 4.01 3.68 3mtfB1 GLY 229 HA3 -0.04 0.14 0.32 -0.51 4.01 3.93 3mtfB1 GLU 230 H -0.05 0.45 -0.45 -0.55 8.60 8.01 3mtfB1 GLU 230 HA -0.00 0.13 0.91 -0.75 4.29 4.57 3mtfB1 GLU 230 HB2 -0.01 0.09 0.06 -0.04 2.09 2.19 3mtfB1 GLU 230 HB3 0.04 0.04 0.01 -0.04 1.99 2.04 3mtfB1 GLU 230 HG2 -0.05 -0.03 0.01 -0.04 2.34 2.24 3mtfB1 GLU 230 HG3 -0.11 0.07 -0.07 -0.04 2.34 2.18 3mtfB1 ASN 231 H 0.02 0.10 0.18 -0.55 8.53 8.28 3mtfB1 ASN 231 HA -0.05 0.28 0.52 -0.75 4.76 4.75 3mtfB1 ASN 231 HB2 0.03 -0.04 0.18 -0.04 2.88 3.01 3mtfB1 ASN 231 HB3 -0.19 -0.02 0.01 -0.04 2.79 2.55 3mtfB1 ASN 231 HD21 -0.02 0.01 0.01 -0.04 7.03 6.99 3mtfB1 ASN 231 HD22 0.05 -0.03 0.04 -0.04 7.74 7.76 3mtfB1 VAL 232 H 0.00 0.67 0.39 -0.55 8.24 8.75 3mtfB1 VAL 232 HA 0.14 0.08 0.61 -0.75 4.13 4.20 3mtfB1 VAL 232 HB 0.00 0.12 0.08 -0.04 2.12 2.27 3mtfB1 VAL 232 HG13 0.22 0.01 -0.16 -0.04 0.97 1.00 3mtfB1 VAL 232 HG23 0.05 -0.02 -0.32 -0.04 0.95 0.61 3mtfB1 ALA 233 H 0.10 0.60 0.03 -0.55 8.40 8.58 3mtfB1 ALA 233 HA 0.19 0.31 1.03 -0.75 4.34 5.12 3mtfB1 ALA 233 HB3 0.17 -0.03 -0.04 -0.04 1.41 1.47 3mtfB1 VAL 234 H 0.06 0.50 0.30 -0.55 8.24 8.55 3mtfB1 VAL 234 HA -0.09 0.33 1.07 -0.75 4.13 4.68 3mtfB1 VAL 234 HB -0.31 -0.07 0.02 -0.04 2.12 1.71 3mtfB1 VAL 234 HG13 -1.05 -0.00 -0.28 -0.04 0.97 -0.40 3mtfB1 VAL 234 HG23 -0.16 0.01 -0.34 -0.04 0.95 0.41 3mtfB1 LYS 235 H 0.00 0.72 0.35 -0.55 8.42 8.94 3mtfB1 LYS 235 HA -0.02 0.29 1.12 -0.75 4.32 4.96 3mtfB1 LYS 235 HB2 -0.02 -0.04 0.04 -0.04 1.87 1.81 3mtfB1 LYS 235 HB3 0.05 -0.04 0.20 -0.04 1.79 1.97 3mtfB1 LYS 235 HG2 -0.85 -0.03 -0.37 -0.04 1.46 0.16 3mtfB1 LYS 235 HG3 -0.19 0.12 -0.09 -0.04 1.46 1.26 3mtfB1 LYS 235 HD2 -0.13 -0.02 -0.11 -0.04 1.69 1.40 3mtfB1 LYS 235 HD3 -0.33 -0.04 -0.09 -0.04 1.68 1.17 3mtfB1 LYS 235 HE2 -1.15 0.02 -0.18 -0.04 2.99 1.64 3mtfB1 LYS 235 HE3 -0.12 0.00 -0.21 -0.04 2.99 2.61 3mtfB1 ILE 236 H -0.03 0.50 0.26 -0.55 8.25 8.43 3mtfB1 ILE 236 HA 0.14 0.31 0.94 -0.75 4.18 4.81 3mtfB1 ILE 236 HB 0.07 -0.09 0.12 -0.04 1.89 1.94 3mtfB1 ILE 236 HG12 -0.96 0.02 -0.27 -0.04 1.49 0.24 3mtfB1 ILE 236 HG13 -0.20 0.01 -0.15 -0.04 1.21 0.84 3mtfB1 ILE 236 HG23 0.24 0.03 -0.12 -0.04 0.93 1.04 3mtfB1 ILE 236 HD13 -0.29 -0.00 -0.13 -0.04 0.88 0.42 3mtfB1 PHE 237 H 0.58 0.49 0.28 -0.55 8.34 9.13 3mtfB1 PHE 237 HA 0.16 0.11 0.55 -0.75 4.62 4.69 3mtfB1 PHE 237 HB2 0.12 -0.06 0.08 -0.04 3.15 3.25 3mtfB1 PHE 237 HB3 0.16 0.10 0.04 -0.04 3.06 3.32 3mtfB1 PHE 237 HD2 0.27 0.19 0.01 -0.04 7.28 7.70 3mtfB1 PHE 237 HE2 0.31 -0.03 -0.16 -0.04 7.38 7.46 3mtfB1 PHE 237 HZ 0.24 -0.02 -0.10 -0.04 7.32 7.39 3mtfB1 SER 238 H 0.16 0.61 0.38 -0.55 8.46 9.07 3mtfB1 SER 238 HA 0.10 0.16 0.79 -0.75 4.49 4.78 3mtfB1 SER 238 HB2 0.05 -0.08 0.15 -0.04 3.95 4.03 3mtfB1 SER 238 HB3 0.04 0.11 -0.03 -0.04 3.93 4.01 3mtfB1 SER 239 H 0.06 0.19 0.18 -0.55 8.46 8.35 3mtfB1 SER 239 HA 0.04 0.10 0.35 -0.75 4.49 4.23 3mtfB1 SER 239 HB2 0.02 0.04 0.08 -0.04 3.95 4.05 3mtfB1 SER 239 HB3 0.03 0.07 0.15 -0.04 3.93 4.14 3mtfB1 ARG 240 H 0.06 0.07 -0.18 -0.55 8.46 7.86 3mtfB1 ARG 240 HA 0.05 0.11 0.34 -0.75 4.34 4.09 3mtfB1 ARG 240 HB2 0.06 0.04 0.06 -0.04 1.90 2.02 3mtfB1 ARG 240 HB3 0.06 0.03 0.08 -0.04 1.80 1.92 3mtfB1 ASP 241 H 0.14 0.44 -0.61 -0.55 8.40 7.82 3mtfB1 ASP 241 HA 0.13 0.17 0.97 -0.75 4.63 5.14 3mtfB1 ASP 241 HB2 0.17 0.03 -0.14 -0.04 2.71 2.73 3mtfB1 ASP 241 HB3 0.27 0.12 0.15 -0.04 2.70 3.20 3mtfB1 GLU 242 H 0.10 0.38 -0.02 -0.55 8.60 8.51 3mtfB1 GLU 242 HA 0.10 0.07 0.44 -0.75 4.29 4.15 3mtfB1 LYS 243 H 0.10 0.13 -0.19 -0.55 8.42 7.91 3mtfB1 LYS 243 HA 0.12 0.10 0.48 -0.75 4.32 4.26 3mtfB1 LYS 243 HB2 0.07 -0.05 0.11 -0.04 1.87 1.96 3mtfB1 LYS 243 HB3 0.04 0.09 0.12 -0.04 1.79 2.00 3mtfB1 LYS 243 HG2 0.03 -0.06 0.13 -0.04 1.46 1.52 3mtfB1 LYS 243 HG3 0.00 0.25 0.22 -0.04 1.46 1.89 3mtfB1 LYS 243 HD2 -0.02 -0.08 -0.04 -0.04 1.69 1.50 3mtfB1 LYS 243 HD3 -0.02 -0.01 0.02 -0.04 1.68 1.63 3mtfB1 LYS 243 HE2 -0.12 0.09 0.10 -0.04 2.99 3.02 3mtfB1 LYS 243 HE3 -0.19 -0.04 0.02 -0.04 2.99 2.74 3mtfB1 SER 244 H 0.18 0.28 -0.27 -0.55 8.46 8.10 3mtfB1 SER 244 HA 0.12 0.30 0.59 -0.75 4.49 4.76 3mtfB1 SER 244 HB2 0.43 0.15 0.12 -0.04 3.95 4.61 3mtfB1 SER 244 HB3 0.34 -0.12 0.01 -0.04 3.93 4.12 3mtfB1 TRP 245 H 0.00 0.28 -0.13 -0.55 7.97 7.57 3mtfB1 TRP 245 HA -0.83 0.00 0.40 -0.75 4.62 3.44 3mtfB1 TRP 245 HB2 -1.56 -0.02 0.08 -0.04 3.23 1.69 3mtfB1 TRP 245 HB3 -0.34 0.21 0.15 -0.04 3.23 3.21 3mtfB1 TRP 245 HD1 -0.30 -0.02 -0.30 -0.04 7.22 6.55 3mtfB1 TRP 245 HE1 0.10 0.28 0.04 -0.04 10.20 10.58 3mtfB1 TRP 245 HE3 0.06 0.09 -0.13 -0.04 7.59 7.56 3mtfB1 TRP 245 HZ2 0.01 -0.02 -0.21 -0.04 7.44 7.19 3mtfB1 TRP 245 HZ3 0.15 0.01 -0.06 -0.04 7.13 7.19 3mtfB1 TRP 245 HH2 0.01 0.01 -0.09 -0.04 7.19 7.08 3mtfB1 PHE 246 H 0.31 0.33 -0.33 -0.55 8.34 8.10 3mtfB1 PHE 246 HA -0.45 0.04 0.35 -0.75 4.62 3.81 3mtfB1 PHE 246 HB2 0.24 0.03 0.10 -0.04 3.15 3.48 3mtfB1 PHE 246 HB3 0.04 0.13 0.15 -0.04 3.06 3.34 3mtfB1 PHE 246 HD2 0.09 0.02 -0.12 -0.04 7.28 7.22 3mtfB1 PHE 246 HE2 0.01 0.00 -0.03 -0.04 7.38 7.32 3mtfB1 PHE 246 HZ -0.01 0.01 -0.02 -0.04 7.32 7.26 3mtfB1 ARG 247 H 0.09 0.39 -0.22 -0.55 8.46 8.17 3mtfB1 ARG 247 HA -0.02 0.04 0.36 -0.75 4.34 3.95 3mtfB1 ARG 247 HB2 0.07 0.07 0.13 -0.04 1.90 2.13 3mtfB1 ARG 247 HB3 0.01 -0.03 0.18 -0.04 1.80 1.93 3mtfB1 ARG 247 HG2 -0.02 0.06 -0.18 -0.04 1.67 1.48 3mtfB1 ARG 247 HG3 -0.08 -0.01 -0.20 -0.04 1.67 1.35 3mtfB1 ARG 247 HD2 -0.04 -0.10 -0.00 -0.04 3.22 3.04 3mtfB1 ARG 247 HD3 0.04 -0.08 -0.04 -0.04 3.22 3.10 3mtfB1 GLU 248 H -0.08 0.53 -0.09 -0.55 8.60 8.41 3mtfB1 GLU 248 HA -0.16 0.07 0.43 -0.75 4.29 3.87 3mtfB1 GLU 248 HB2 0.04 0.09 0.07 -0.04 2.09 2.25 3mtfB1 GLU 248 HB3 0.22 -0.02 -0.01 -0.04 1.99 2.14 3mtfB1 GLU 248 HG2 0.01 -0.09 -0.30 -0.04 2.34 1.92 3mtfB1 GLU 248 HG3 0.13 0.20 -0.06 -0.04 2.34 2.57 3mtfB1 THR 249 H -0.46 0.50 -0.30 -0.55 8.28 7.46 3mtfB1 THR 249 HA -0.30 -0.01 0.28 -0.75 4.39 3.60 3mtfB1 THR 249 HB -0.88 0.09 0.08 -0.04 4.32 3.56 3mtfB1 THR 249 HG23 -0.40 -0.02 -0.07 -0.04 1.22 0.69 3mtfB1 GLU 250 H -0.48 0.66 -0.09 -0.55 8.60 8.14 3mtfB1 GLU 250 HA -0.34 -0.01 0.39 -0.75 4.29 3.59 3mtfB1 GLU 250 HB2 -0.49 -0.01 0.10 -0.04 2.09 1.66 3mtfB1 GLU 250 HB3 -0.22 0.11 0.17 -0.04 1.99 2.01 3mtfB1 GLU 250 HG2 -0.14 0.01 -0.22 -0.04 2.34 1.95 3mtfB1 GLU 250 HG3 -0.16 -0.04 0.00 -0.04 2.34 2.10 3mtfB1 LEU 251 H -0.25 0.50 -0.34 -0.55 8.37 7.73 3mtfB1 LEU 251 HA -0.18 0.00 0.14 -0.75 4.35 3.56 3mtfB1 LEU 251 HB2 -0.27 0.17 0.19 -0.04 1.64 1.68 3mtfB1 LEU 251 HB3 -0.37 -0.03 -0.02 -0.04 1.64 1.18 3mtfB1 LEU 251 HG -0.15 -0.04 -0.04 -0.04 1.64 1.37 3mtfB1 LEU 251 HD13 -0.12 -0.00 -0.10 -0.04 0.93 0.67 3mtfB1 LEU 251 HD23 -0.17 -0.01 -0.08 -0.04 0.89 0.60 3mtfB1 TYR 252 H -0.28 0.57 0.01 -0.55 8.29 8.04 3mtfB1 TYR 252 HA -0.28 0.08 0.42 -0.75 4.56 4.02 3mtfB1 TYR 252 HB2 -1.13 0.07 0.08 -0.04 3.06 2.04 3mtfB1 TYR 252 HB3 -1.43 -0.02 0.06 -0.04 2.98 1.55 3mtfB1 TYR 252 HD2 -0.15 0.09 0.04 -0.04 7.15 7.09 3mtfB1 TYR 252 HE2 0.10 -0.03 0.01 -0.04 6.85 6.88 3mtfB1 ASN 253 H -0.26 0.28 -0.53 -0.55 8.53 7.48 3mtfB1 ASN 253 HA -0.14 0.15 0.95 -0.75 4.76 4.97 3mtfB1 ASN 253 HB2 -0.22 0.28 0.09 -0.04 2.88 2.99 3mtfB1 ASN 253 HB3 -0.13 -0.07 -0.13 -0.04 2.79 2.41 3mtfB1 ASN 253 HD21 -0.01 -0.08 0.03 -0.04 7.03 6.93 3mtfB1 ASN 253 HD22 -0.05 0.01 0.08 -0.04 7.74 7.74 3mtfB1 THR 254 H -0.14 0.35 0.05 -0.55 8.28 7.99 3mtfB1 THR 254 HA -0.07 0.16 1.00 -0.75 4.39 4.73 3mtfB1 THR 254 HB -0.07 -0.09 0.08 -0.04 4.32 4.20 3mtfB1 THR 254 HG23 -0.10 -0.02 -0.02 -0.04 1.22 1.04 3mtfB1 VAL 255 H -0.10 0.45 0.12 -0.55 8.24 8.17 3mtfB1 VAL 255 HA -0.05 0.15 0.92 -0.75 4.13 4.40 3mtfB1 VAL 255 HB -0.08 0.04 0.04 -0.04 2.12 2.08 3mtfB1 VAL 255 HG13 -0.05 0.01 -0.07 -0.04 0.97 0.82 3mtfB1 VAL 255 HG23 -0.09 -0.01 -0.03 -0.04 0.95 0.77 3mtfB1 MET 256 H -0.01 0.27 0.05 -0.55 8.47 8.23 3mtfB1 MET 256 HA 0.03 0.09 0.61 -0.75 4.52 4.50 3mtfB1 MET 256 HB2 0.02 -0.02 0.08 -0.04 2.15 2.19 3mtfB1 MET 256 HB3 0.02 0.21 0.14 -0.04 2.03 2.36 3mtfB1 MET 256 HG2 0.04 -0.05 0.05 -0.04 2.63 2.63 3mtfB1 MET 256 HG3 0.07 0.03 0.11 -0.04 2.56 2.73 3mtfB1 MET 256 HE3 0.06 -0.01 0.00 -0.04 2.10 2.11 3mtfB1 LEU 257 H 0.06 0.48 -0.22 -0.55 8.37 8.15 3mtfB1 LEU 257 HA 0.13 0.17 0.70 -0.75 4.35 4.59 3mtfB1 LEU 257 HB2 -0.02 0.03 -0.11 -0.04 1.64 1.50 3mtfB1 LEU 257 HB3 0.11 -0.02 0.14 -0.04 1.64 1.83 3mtfB1 LEU 257 HG 0.09 -0.06 -0.15 -0.04 1.64 1.48 3mtfB1 LEU 257 HD13 0.08 0.01 -0.09 -0.04 0.93 0.89 3mtfB1 LEU 257 HD23 -0.23 -0.02 -0.09 -0.04 0.89 0.50 3mtfB1 ARG 258 H 0.17 0.42 -0.02 -0.55 8.46 8.48 3mtfB1 ARG 258 HA 0.14 0.11 0.77 -0.75 4.34 4.62 3mtfB1 ARG 258 HB2 0.11 0.06 -0.18 -0.04 1.90 1.84 3mtfB1 ARG 258 HB3 0.10 0.03 -0.02 -0.04 1.80 1.87 3mtfB1 ARG 258 HG2 0.06 -0.05 -0.27 -0.04 1.67 1.37 3mtfB1 ARG 258 HG3 0.10 -0.00 -0.02 -0.04 1.67 1.70 3mtfB1 ARG 258 HD2 0.06 0.01 -0.06 -0.04 3.22 3.19 3mtfB1 ARG 258 HD3 0.06 -0.04 -0.06 -0.04 3.22 3.14 3mtfB1 HIS 259 H 0.11 0.35 0.10 -0.55 8.41 8.43 3mtfB1 HIS 259 HA -0.11 0.09 0.58 -0.75 4.63 4.44 3mtfB1 HIS 259 HB2 -0.55 0.22 -0.33 -0.04 3.26 2.57 3mtfB1 HIS 259 HB3 -0.18 -0.06 -0.13 -0.04 3.20 2.79 3mtfB1 HIS 259 HD2 -0.43 0.11 0.07 -0.04 6.97 6.67 3mtfB1 HIS 259 HE1 -0.06 -0.03 -0.26 -0.04 7.75 7.35 3mtfB1 GLU 260 H -0.63 0.19 0.12 -0.55 8.60 7.74 3mtfB1 GLU 260 HA -0.09 0.07 0.35 -0.75 4.29 3.87 3mtfB1 GLU 260 HB2 -0.33 0.00 0.14 -0.04 2.09 1.87 3mtfB1 GLU 260 HB3 -0.23 0.04 -0.04 -0.04 1.99 1.72 3mtfB1 GLU 260 HG2 -0.08 0.00 0.07 -0.04 2.34 2.29 3mtfB1 GLU 260 HG3 -0.10 0.01 0.05 -0.04 2.34 2.26 3mtfB1 ASN 261 H 0.06 0.02 -0.45 -0.55 8.53 7.61 3mtfB1 ASN 261 HA 0.01 0.38 0.96 -0.75 4.76 5.35 3mtfB1 ASN 261 HB2 0.24 -0.07 0.04 -0.04 2.88 3.05 3mtfB1 ASN 261 HB3 0.07 0.04 0.19 -0.04 2.79 3.05 3mtfB1 ASN 261 HD21 -0.03 -0.12 -0.08 -0.04 7.03 6.76 3mtfB1 ASN 261 HD22 -0.03 0.64 0.03 -0.04 7.74 8.34 3mtfB1 ILE 262 H 0.13 0.59 -0.23 -0.55 8.25 8.19 3mtfB1 ILE 262 HA 0.12 0.08 0.66 -0.75 4.18 4.28 3mtfB1 ILE 262 HB 0.16 -0.03 -0.03 -0.04 1.89 1.96 3mtfB1 ILE 262 HG12 0.09 0.03 0.01 -0.04 1.49 1.58 3mtfB1 ILE 262 HG13 0.10 -0.17 -0.46 -0.04 1.21 0.64 3mtfB1 ILE 262 HG23 0.19 0.06 -0.11 -0.04 0.93 1.03 3mtfB1 ILE 262 HD13 0.09 0.02 -0.14 -0.04 0.88 0.80 3mtfB1 LEU 263 H 0.16 0.65 0.03 -0.55 8.37 8.66 3mtfB1 LEU 263 HA 0.19 -0.04 0.30 -0.75 4.35 4.04 3mtfB1 LEU 263 HB2 0.15 0.00 -0.15 -0.04 1.64 1.60 3mtfB1 LEU 263 HB3 0.25 -0.05 0.11 -0.04 1.64 1.91 3mtfB1 LEU 263 HG 0.12 0.03 -0.28 -0.04 1.64 1.47 3mtfB1 LEU 263 HD13 0.21 0.01 -0.04 -0.04 0.93 1.06 3mtfB1 LEU 263 HD23 0.13 -0.04 -0.08 -0.04 0.89 0.86 3mtfB1 GLY 264 H 0.26 0.06 0.18 -0.55 8.43 8.39 3mtfB1 GLY 264 HA2 0.09 0.12 0.56 -0.51 4.01 4.27 3mtfB1 GLY 264 HA3 0.16 -0.01 0.37 -0.51 4.01 4.02 3mtfB1 PHE 265 H -0.11 0.25 0.27 -0.55 8.34 8.19 3mtfB1 PHE 265 HA -0.50 0.01 0.67 -0.75 4.62 4.05 3mtfB1 PHE 265 HB2 -2.12 0.01 0.13 -0.04 3.15 1.13 3mtfB1 PHE 265 HB3 -0.49 0.08 0.16 -0.04 3.06 2.77 3mtfB1 PHE 265 HD2 -0.44 -0.00 -0.16 -0.04 7.28 6.64 3mtfB1 PHE 265 HE2 -0.09 -0.01 -0.20 -0.04 7.38 7.03 3mtfB1 PHE 265 HZ -0.10 -0.10 -0.21 -0.04 7.32 6.87 3mtfB1 ILE 266 H -0.85 0.50 0.42 -0.55 8.25 7.77 3mtfB1 ILE 266 HA -0.36 0.21 0.97 -0.75 4.18 4.24 3mtfB1 ILE 266 HB -0.51 0.02 -0.11 -0.04 1.89 1.26 3mtfB1 ILE 266 HG12 -0.25 0.03 -0.12 -0.04 1.49 1.11 3mtfB1 ILE 266 HG13 -0.49 -0.04 -0.38 -0.04 1.21 0.26 3mtfB1 ILE 266 HG23 -0.66 -0.01 -0.20 -0.04 0.93 0.02 3mtfB1 ILE 266 HD13 -0.06 0.01 -0.21 -0.04 0.88 0.57 3mtfB1 ALA 267 H -0.93 0.46 0.37 -0.55 8.40 7.75 3mtfB1 ALA 267 HA -0.44 0.16 0.55 -0.75 4.34 3.86 3mtfB1 ALA 267 HB3 -0.28 0.02 -0.08 -0.04 1.41 1.03 3mtfB1 SER 268 H 0.07 0.27 0.21 -0.55 8.46 8.47 3mtfB1 SER 268 HA 0.20 0.20 0.92 -0.75 4.49 5.05 3mtfB1 SER 268 HB2 0.18 -0.01 0.09 -0.04 3.95 4.17 3mtfB1 SER 268 HB3 0.13 0.00 0.11 -0.04 3.93 4.14 3mtfB1 ASP 269 H 0.50 0.69 0.36 -0.55 8.40 9.40 3mtfB1 ASP 269 HA 0.15 0.17 0.96 -0.75 4.63 5.16 3mtfB1 ASP 269 HB2 0.11 -0.02 -0.27 -0.04 2.71 2.49 3mtfB1 ASP 269 HB3 -0.09 0.04 -0.16 -0.04 2.70 2.44 3mtfB1 MET 270 H -0.04 0.21 0.23 -0.55 8.47 8.32 3mtfB1 MET 270 HA -0.25 0.32 1.03 -0.75 4.52 4.86 3mtfB1 MET 270 HB2 -0.10 -0.03 0.14 -0.04 2.15 2.13 3mtfB1 MET 270 HB3 -0.18 0.03 0.02 -0.04 2.03 1.86 3mtfB1 MET 270 HG2 -0.35 0.05 -0.06 -0.04 2.63 2.23 3mtfB1 MET 270 HG3 0.04 -0.03 -0.08 -0.04 2.56 2.45 3mtfB1 MET 270 HE3 0.08 0.00 -0.04 -0.04 2.10 2.10 3mtfB1 THR 271 H -0.40 0.72 0.35 -0.55 8.28 8.40 3mtfB1 THR 271 HA -0.30 0.19 0.86 -0.75 4.39 4.38 3mtfB1 THR 271 HB -0.78 -0.04 -0.28 -0.04 4.32 3.17 3mtfB1 THR 271 HG23 -1.50 0.02 -0.21 -0.04 1.22 -0.51 3mtfB1 SER 272 H -0.24 0.20 0.17 -0.55 8.46 8.03 3mtfB1 SER 272 HA -0.12 0.32 0.78 -0.75 4.49 4.71 3mtfB1 SER 272 HB2 -0.11 0.00 -0.05 -0.04 3.95 3.75 3mtfB1 SER 272 HB3 -0.12 0.01 0.07 -0.04 3.93 3.85 3mtfB1 ARG 273 H -0.07 0.62 0.17 -0.55 8.46 8.63 3mtfB1 ARG 273 HA -0.18 0.05 0.72 -0.75 4.34 4.17 3mtfB1 ARG 273 HB2 -0.07 0.10 -0.34 -0.04 1.90 1.55 3mtfB1 ARG 273 HB3 -0.00 0.03 -0.09 -0.04 1.80 1.69 3mtfB1 ARG 273 HG2 -0.00 -0.01 -0.10 -0.04 1.67 1.52 3mtfB1 ARG 273 HG3 -0.16 0.00 -0.24 -0.04 1.67 1.24 3mtfB1 ARG 273 HD2 -0.48 -0.02 -0.01 -0.04 3.22 2.67 3mtfB1 ARG 273 HD3 -0.26 0.00 0.13 -0.04 3.22 3.05 3mtfB1 HIS 274 H -0.33 0.19 0.13 -0.55 8.41 7.86 3mtfB1 HIS 274 HA -0.00 0.05 0.34 -0.75 4.63 4.26 3mtfB1 HIS 274 HB2 0.01 0.19 0.06 -0.04 3.26 3.47 3mtfB1 HIS 274 HB3 0.01 0.02 0.20 -0.04 3.20 3.38 3mtfB1 HIS 274 HD2 0.03 0.03 -0.15 -0.04 6.97 6.83 3mtfB1 HIS 274 HE1 0.01 0.02 0.00 -0.04 7.75 7.74 3mtfB1 SER 275 H -0.02 0.03 -0.20 -0.55 8.46 7.72 3mtfB1 SER 275 HA -0.02 -0.01 0.18 -0.75 4.49 3.89 3mtfB1 SER 275 HB2 0.03 0.14 -0.26 -0.04 3.95 3.82 3mtfB1 SER 275 HB3 0.00 0.01 0.14 -0.04 3.93 4.05 3mtfB1 SER 276 H 0.01 0.27 -0.61 -0.55 8.46 7.59 3mtfB1 SER 276 HA -0.01 0.14 0.80 -0.75 4.49 4.67 3mtfB1 SER 276 HB2 0.04 0.10 0.00 -0.04 3.95 4.05 3mtfB1 SER 276 HB3 0.01 -0.03 0.10 -0.04 3.93 3.97 3mtfB1 THR 277 H -0.03 0.13 0.15 -0.55 8.28 7.97 3mtfB1 THR 277 HA -0.10 0.20 0.67 -0.75 4.39 4.41 3mtfB1 THR 277 HB -0.08 -0.03 0.09 -0.04 4.32 4.27 3mtfB1 THR 277 HG23 -0.16 -0.01 -0.16 -0.04 1.22 0.85 3mtfB1 GLN 278 H -0.14 0.96 0.44 -0.55 8.47 9.18 3mtfB1 GLN 278 HA 0.03 0.15 0.84 -0.75 4.36 4.63 3mtfB1 GLN 278 HB2 -0.00 -0.02 -0.02 -0.04 2.15 2.06 3mtfB1 GLN 278 HB3 0.46 0.00 -0.13 -0.04 2.02 2.31 3mtfB1 GLN 278 HG2 0.13 0.05 -0.07 -0.04 2.40 2.48 3mtfB1 GLN 278 HG3 0.07 0.05 -0.31 -0.04 2.39 2.15 3mtfB1 GLN 278 HE21 0.13 -0.03 -0.11 -0.04 6.97 6.92 3mtfB1 GLN 278 HE22 0.13 0.03 -0.11 -0.04 7.69 7.71 3mtfB1 LEU 279 H -0.00 0.22 0.14 -0.55 8.37 8.18 3mtfB1 LEU 279 HA -0.44 0.22 0.97 -0.75 4.35 4.35 3mtfB1 LEU 279 HB2 -0.28 -0.05 0.21 -0.04 1.64 1.48 3mtfB1 LEU 279 HB3 -1.93 0.04 0.08 -0.04 1.64 -0.22 3mtfB1 LEU 279 HG -0.37 -0.02 -0.04 -0.04 1.64 1.17 3mtfB1 LEU 279 HD13 -0.44 0.01 0.02 -0.04 0.93 0.47 3mtfB1 LEU 279 HD23 -1.18 0.02 -0.05 -0.04 0.89 -0.36 3mtfB1 TRP 280 H 0.31 0.84 0.40 -0.55 7.97 8.97 3mtfB1 TRP 280 HA 0.28 0.36 1.10 -0.75 4.62 5.61 3mtfB1 TRP 280 HB2 0.08 -0.07 0.03 -0.04 3.23 3.23 3mtfB1 TRP 280 HB3 0.08 0.01 -0.14 -0.04 3.23 3.14 3mtfB1 TRP 280 HD1 0.03 -0.04 -0.94 -0.04 7.22 6.22 3mtfB1 TRP 280 HE1 -0.07 -0.01 -0.21 -0.04 10.20 9.87 3mtfB1 TRP 280 HE3 -0.05 -0.03 -0.19 -0.04 7.59 7.27 3mtfB1 TRP 280 HZ2 -0.19 -0.01 -0.14 -0.04 7.44 7.06 3mtfB1 TRP 280 HZ3 -0.09 0.08 -0.11 -0.04 7.13 6.98 3mtfB1 TRP 280 HH2 -0.15 0.07 -0.10 -0.04 7.19 6.96 3mtfB1 LEU 281 H 0.49 0.71 0.38 -0.55 8.37 9.40 3mtfB1 LEU 281 HA 0.31 0.20 0.91 -0.75 4.35 5.01 3mtfB1 LEU 281 HB2 0.59 0.01 0.09 -0.04 1.64 2.28 3mtfB1 LEU 281 HB3 0.48 -0.07 0.18 -0.04 1.64 2.19 3mtfB1 LEU 281 HG 0.15 0.02 -0.34 -0.04 1.64 1.43 3mtfB1 LEU 281 HD13 0.33 0.04 0.01 -0.04 0.93 1.27 3mtfB1 LEU 281 HD23 0.36 -0.02 -0.07 -0.04 0.89 1.12 3mtfB1 ILE 282 H -0.13 0.76 0.35 -0.55 8.25 8.68 3mtfB1 ILE 282 HA -0.07 0.30 1.07 -0.75 4.18 4.73 3mtfB1 ILE 282 HB -0.32 -0.10 0.13 -0.04 1.89 1.55 3mtfB1 ILE 282 HG12 0.02 0.04 -0.22 -0.04 1.49 1.30 3mtfB1 ILE 282 HG13 0.10 -0.10 -0.55 -0.04 1.21 0.62 3mtfB1 ILE 282 HG23 -0.25 0.02 -0.13 -0.04 0.93 0.53 3mtfB1 ILE 282 HD13 0.03 0.01 -0.36 -0.04 0.88 0.52 3mtfB1 THR 283 H -0.07 0.68 0.36 -0.55 8.28 8.70 3mtfB1 THR 283 HA -0.30 0.13 0.96 -0.75 4.39 4.43 3mtfB1 THR 283 HB -0.05 0.10 0.05 -0.04 4.32 4.38 3mtfB1 THR 283 HG23 -0.01 -0.03 -0.32 -0.04 1.22 0.82 3mtfB1 HIS 284 H -0.17 0.48 0.22 -0.55 8.41 8.39 3mtfB1 HIS 284 HA -0.01 0.11 0.60 -0.75 4.63 4.57 3mtfB1 HIS 284 HB2 -0.03 -0.09 0.11 -0.04 3.26 3.21 3mtfB1 HIS 284 HB3 -0.22 0.04 0.01 -0.04 3.20 2.99 3mtfB1 HIS 284 HD2 0.05 0.04 0.02 -0.04 6.97 7.03 3mtfB1 HIS 284 HE1 0.04 0.02 -0.01 -0.04 7.75 7.76 3mtfB1 TYR 285 H 0.13 0.28 0.12 -0.55 8.29 8.26 3mtfB1 TYR 285 HA -0.03 0.11 0.73 -0.75 4.56 4.62 3mtfB1 TYR 285 HB2 0.01 -0.09 -0.51 -0.04 3.06 2.44 3mtfB1 TYR 285 HB3 -0.01 0.06 -0.13 -0.04 2.98 2.86 3mtfB1 TYR 285 HD2 0.01 -0.02 -0.18 -0.04 7.15 6.92 3mtfB1 TYR 285 HE2 0.02 -0.02 -0.10 -0.04 6.85 6.71 3mtfB1 HIS 286 H -0.38 0.21 -0.02 -0.55 8.41 7.68 3mtfB1 HIS 286 HA -0.12 0.14 0.92 -0.75 4.63 4.82 3mtfB1 HIS 286 HB2 -0.15 -0.02 0.07 -0.04 3.26 3.11 3mtfB1 HIS 286 HB3 -0.12 0.22 0.03 -0.04 3.20 3.28 3mtfB1 HIS 286 HD2 -0.01 0.02 -0.21 -0.04 6.97 6.72 3mtfB1 HIS 286 HE1 -0.02 0.03 -0.10 -0.04 7.75 7.61 3mtfB1 GLU 287 H -0.05 0.20 0.06 -0.55 8.60 8.27 3mtfB1 GLU 287 HA -0.19 0.07 0.25 -0.75 4.29 3.67 3mtfB1 GLU 287 HB2 0.11 0.05 0.07 -0.04 2.09 2.29 3mtfB1 GLU 287 HB3 0.21 0.01 0.07 -0.04 1.99 2.24 3mtfB1 GLU 287 HG2 0.04 -0.10 0.10 -0.04 2.34 2.34 3mtfB1 GLU 287 HG3 0.04 0.06 -0.11 -0.04 2.34 2.29 3mtfB1 MET 288 H -0.03 0.07 -0.35 -0.55 8.47 7.61 3mtfB1 MET 288 HA 0.03 0.10 0.42 -0.75 4.52 4.31 3mtfB1 MET 288 HB2 -0.10 0.20 -0.16 -0.04 2.15 2.05 3mtfB1 MET 288 HB3 -0.00 -0.00 -0.01 -0.04 2.03 1.97 3mtfB1 MET 288 HG2 -0.02 -0.15 -0.18 -0.04 2.63 2.24 3mtfB1 MET 288 HG3 -0.08 0.08 -0.30 -0.04 2.56 2.22 3mtfB1 MET 288 HE3 0.05 0.00 -0.06 -0.04 2.10 2.06 3mtfB1 GLY 289 H -0.09 0.35 -0.32 -0.55 8.43 7.82 3mtfB1 GLY 289 HA2 -0.06 0.01 0.27 -0.51 4.01 3.72 3mtfB1 GLY 289 HA3 -0.01 0.08 0.37 -0.51 4.01 3.95 3mtfB1 SER 290 H 0.02 0.08 0.21 -0.55 8.46 8.21 3mtfB1 SER 290 HA -0.02 0.21 0.81 -0.75 4.49 4.73 3mtfB1 SER 290 HB2 0.02 0.20 0.32 -0.04 3.95 4.46 3mtfB1 SER 290 HB3 0.01 0.04 0.18 -0.04 3.93 4.12 3mtfB1 LEU 291 H -0.01 0.66 0.22 -0.55 8.37 8.70 3mtfB1 LEU 291 HA 0.02 0.07 0.42 -0.75 4.35 4.11 3mtfB1 LEU 291 HB2 -0.02 -0.01 -0.04 -0.04 1.64 1.52 3mtfB1 LEU 291 HB3 0.03 0.09 0.17 -0.04 1.64 1.89 3mtfB1 LEU 291 HG 0.04 -0.00 -0.19 -0.04 1.64 1.44 3mtfB1 LEU 291 HD13 0.02 0.01 -0.05 -0.04 0.93 0.86 3mtfB1 LEU 291 HD23 -0.00 -0.01 -0.09 -0.04 0.89 0.75 3mtfB1 TYR 292 H 0.13 0.32 -0.24 -0.55 8.29 7.95 3mtfB1 TYR 292 HA -0.17 0.10 0.25 -0.75 4.56 3.98 3mtfB1 TYR 292 HB2 -0.02 -0.17 -0.25 -0.04 3.06 2.59 3mtfB1 TYR 292 HB3 -0.04 -0.03 -0.05 -0.04 2.98 2.81 3mtfB1 TYR 292 HD2 0.01 -0.03 -0.14 -0.04 7.15 6.95 3mtfB1 TYR 292 HE2 0.13 0.03 -0.07 -0.04 6.85 6.90 3mtfB1 ASP 293 H 0.10 0.03 -0.22 -0.55 8.40 7.77 3mtfB1 ASP 293 HA -0.16 0.06 0.46 -0.75 4.63 4.24 3mtfB1 ASP 293 HB2 0.04 0.16 0.15 -0.04 2.71 3.01 3mtfB1 ASP 293 HB3 -0.00 0.05 -0.00 -0.04 2.70 2.70 3mtfB1 TYR 294 H 0.09 0.63 -0.10 -0.55 8.29 8.35 3mtfB1 TYR 294 HA -0.08 0.02 0.31 -0.75 4.56 4.06 3mtfB1 TYR 294 HB2 -0.06 0.10 0.00 -0.04 3.06 3.06 3mtfB1 TYR 294 HB3 -0.08 0.04 0.08 -0.04 2.98 2.98 3mtfB1 TYR 294 HD2 -0.06 0.04 -0.11 -0.04 7.15 6.98 3mtfB1 TYR 294 HE2 -0.04 -0.02 -0.11 -0.04 6.85 6.63 3mtfB1 LEU 295 H -0.09 0.52 -0.30 -0.55 8.37 7.95 3mtfB1 LEU 295 HA -0.14 0.11 0.33 -0.75 4.35 3.90 3mtfB1 LEU 295 HB2 -0.31 0.04 0.01 -0.04 1.64 1.35 3mtfB1 LEU 295 HB3 -0.04 0.01 0.07 -0.04 1.64 1.64 3mtfB1 LEU 295 HG 0.02 0.07 -0.03 -0.04 1.64 1.67 3mtfB1 LEU 295 HD13 0.09 0.00 -0.22 -0.04 0.93 0.77 3mtfB1 LEU 295 HD23 0.02 -0.00 -0.03 -0.04 0.89 0.83 3mtfB1 GLN 296 H -0.28 0.42 -0.42 -0.55 8.47 7.65 3mtfB1 GLN 296 HA -0.14 0.12 0.93 -0.75 4.36 4.52 3mtfB1 GLN 296 HB2 -0.23 0.07 0.11 -0.04 2.15 2.06 3mtfB1 GLN 296 HB3 -0.16 -0.07 0.13 -0.04 2.02 1.88 3mtfB1 GLN 296 HG2 -0.44 -0.02 -0.13 -0.04 2.40 1.78 3mtfB1 GLN 296 HG3 -0.73 0.28 0.03 -0.04 2.39 1.94 3mtfB1 GLN 296 HE21 -0.64 -0.10 -0.06 -0.04 6.97 6.12 3mtfB1 GLN 296 HE22 -1.15 0.16 -0.09 -0.04 7.69 6.57 3mtfB1 LEU 297 H -0.21 0.30 -0.04 -0.55 8.37 7.88 3mtfB1 LEU 297 HA -0.12 0.04 0.64 -0.75 4.35 4.15 3mtfB1 LEU 297 HB2 -0.25 0.13 0.17 -0.04 1.64 1.65 3mtfB1 LEU 297 HB3 -0.15 -0.09 0.10 -0.04 1.64 1.47 3mtfB1 LEU 297 HG -0.10 -0.02 -0.05 -0.04 1.64 1.43 3mtfB1 LEU 297 HD13 -0.02 -0.00 -0.28 -0.04 0.93 0.59 3mtfB1 LEU 297 HD23 -0.04 -0.02 0.01 -0.04 0.89 0.80 3mtfB1 THR 298 H -0.24 0.25 -0.36 -0.55 8.28 7.38 3mtfB1 THR 298 HA -0.16 0.05 0.75 -0.75 4.39 4.27 3mtfB1 THR 298 HB -0.32 0.05 -0.48 -0.04 4.32 3.52 3mtfB1 THR 298 HG23 -0.83 0.07 -0.21 -0.04 1.22 0.21 3mtfB1 THR 299 H -0.11 0.07 0.16 -0.55 8.28 7.85 3mtfB1 THR 299 HA -0.10 0.32 0.98 -0.75 4.39 4.84 3mtfB1 THR 299 HB -0.07 0.05 0.11 -0.04 4.32 4.37 3mtfB1 THR 299 HG23 -0.07 0.01 -0.07 -0.04 1.22 1.05 3mtfB1 LEU 300 H -0.08 0.84 0.43 -0.55 8.37 9.01 3mtfB1 LEU 300 HA -0.04 0.11 0.94 -0.75 4.35 4.60 3mtfB1 LEU 300 HB2 -0.08 -0.01 -0.03 -0.04 1.64 1.48 3mtfB1 LEU 300 HB3 -0.04 -0.16 -0.01 -0.04 1.64 1.40 3mtfB1 LEU 300 HG -0.06 0.14 -0.20 -0.04 1.64 1.47 3mtfB1 LEU 300 HD13 -0.04 0.01 -0.14 -0.04 0.93 0.72 3mtfB1 LEU 300 HD23 0.06 0.02 -0.31 -0.04 0.89 0.62 3mtfB1 ASP 301 H -0.03 0.09 0.17 -0.55 8.40 8.08 3mtfB1 ASP 301 HA -0.05 0.34 0.92 -0.75 4.63 5.08 3mtfB1 ASP 301 HB2 -0.04 -0.07 0.26 -0.04 2.71 2.83 3mtfB1 ASP 301 HB3 -0.03 0.13 0.15 -0.04 2.70 2.90 3mtfB1 THR 302 H -0.05 0.20 0.20 -0.55 8.28 8.08 3mtfB1 THR 302 HA -0.08 0.14 0.27 -0.75 4.39 3.96 3mtfB1 THR 302 HB -0.04 -0.02 0.19 -0.04 4.32 4.40 3mtfB1 THR 302 HG23 -0.05 0.03 -0.13 -0.04 1.22 1.03 3mtfB1 VAL 303 H -0.04 0.08 -0.01 -0.55 8.24 7.73 3mtfB1 VAL 303 HA -0.03 0.14 0.50 -0.75 4.13 3.99 3mtfB1 VAL 303 HB -0.02 -0.03 0.06 -0.04 2.12 2.08 3mtfB1 VAL 303 HG13 -0.02 0.03 -0.08 -0.04 0.97 0.87 3mtfB1 VAL 303 HG23 -0.02 0.01 0.06 -0.04 0.95 0.96 3mtfB1 SER 304 H -0.03 0.03 -0.35 -0.55 8.46 7.56 3mtfB1 SER 304 HA -0.02 0.15 0.49 -0.75 4.49 4.36 3mtfB1 SER 304 HB2 -0.02 -0.07 0.12 -0.04 3.95 3.95 3mtfB1 SER 304 HB3 0.02 0.12 -0.04 -0.04 3.93 3.99 3mtfB1 CYS 305 H -0.05 0.50 -0.07 -0.55 8.50 8.33 3mtfB1 CYS 305 HA -0.06 0.09 0.44 -0.75 4.58 4.30 3mtfB1 CYS 305 HB2 -0.11 0.07 0.00 -0.04 2.97 2.90 3mtfB1 CYS 305 HB3 -0.10 0.03 0.07 -0.04 2.97 2.92 3mtfB1 LEU 306 H -0.06 0.44 -0.21 -0.55 8.37 8.00 3mtfB1 LEU 306 HA -0.05 0.02 0.42 -0.75 4.35 3.99 3mtfB1 LEU 306 HB2 -0.04 0.04 0.10 -0.04 1.64 1.71 3mtfB1 LEU 306 HB3 -0.03 0.07 -0.01 -0.04 1.64 1.64 3mtfB1 LEU 306 HG -0.07 0.06 0.05 -0.04 1.64 1.64 3mtfB1 LEU 306 HD13 -0.04 0.03 -0.12 -0.04 0.93 0.76 3mtfB1 LEU 306 HD23 -0.06 0.00 -0.06 -0.04 0.89 0.73 3mtfB1 ARG 307 H -0.03 0.45 -0.23 -0.55 8.46 8.10 3mtfB1 ARG 307 HA -0.02 -0.01 0.38 -0.75 4.34 3.94 3mtfB1 ARG 307 HB2 -0.03 0.19 0.19 -0.04 1.90 2.21 3mtfB1 ARG 307 HB3 -0.03 0.15 0.09 -0.04 1.80 1.97 3mtfB1 ARG 307 HG2 -0.04 -0.06 -0.30 -0.04 1.67 1.23 3mtfB1 ARG 307 HG3 -0.03 -0.05 -0.00 -0.04 1.67 1.55 3mtfB1 ARG 307 HD2 -0.03 0.02 -0.04 -0.04 3.22 3.13 3mtfB1 ARG 307 HD3 -0.03 -0.01 -0.09 -0.04 3.22 3.05 3mtfB1 ILE 308 H -0.03 0.50 -0.35 -0.55 8.25 7.82 3mtfB1 ILE 308 HA -0.04 -0.01 0.37 -0.75 4.18 3.74 3mtfB1 ILE 308 HB -0.04 0.15 0.17 -0.04 1.89 2.13 3mtfB1 ILE 308 HG12 -0.08 -0.08 -0.03 -0.04 1.49 1.26 3mtfB1 ILE 308 HG13 -0.04 0.16 0.07 -0.04 1.21 1.36 3mtfB1 ILE 308 HG23 -0.04 -0.04 -0.18 -0.04 0.93 0.64 3mtfB1 ILE 308 HD13 0.03 -0.03 -0.09 -0.04 0.88 0.75 3mtfB1 VAL 309 H -0.03 0.53 -0.08 -0.55 8.24 8.12 3mtfB1 VAL 309 HA 0.00 -0.01 0.08 -0.75 4.13 3.46 3mtfB1 VAL 309 HB -0.00 -0.05 0.05 -0.04 2.12 2.08 3mtfB1 VAL 309 HG13 -0.12 0.03 -0.01 -0.04 0.97 0.84 3mtfB1 VAL 309 HG23 -0.03 0.06 0.03 -0.04 0.95 0.96 3mtfB1 LEU 310 H 0.01 0.68 -0.24 -0.55 8.37 8.27 3mtfB1 LEU 310 HA 0.05 0.00 0.36 -0.75 4.35 4.00 3mtfB1 LEU 310 HB2 0.01 0.05 0.01 -0.04 1.64 1.67 3mtfB1 LEU 310 HB3 0.00 0.09 0.11 -0.04 1.64 1.80 3mtfB1 LEU 310 HG 0.01 -0.09 -0.24 -0.04 1.64 1.28 3mtfB1 LEU 310 HD13 0.01 -0.03 -0.04 -0.04 0.93 0.83 3mtfB1 LEU 310 HD23 -0.00 0.02 -0.08 -0.04 0.89 0.78 3mtfB1 SER 311 H 0.01 0.69 -0.04 -0.55 8.46 8.58 3mtfB1 SER 311 HA 0.02 -0.04 0.37 -0.75 4.49 4.09 3mtfB1 SER 311 HB2 -0.01 0.08 0.15 -0.04 3.95 4.13 3mtfB1 SER 311 HB3 -0.02 0.04 0.19 -0.04 3.93 4.10 3mtfB1 ILE 312 H 0.07 0.51 -0.33 -0.55 8.25 7.95 3mtfB1 ILE 312 HA 0.06 0.02 0.34 -0.75 4.18 3.85 3mtfB1 ILE 312 HB 0.25 0.14 0.07 -0.04 1.89 2.31 3mtfB1 ILE 312 HG12 0.02 -0.08 -0.09 -0.04 1.49 1.31 3mtfB1 ILE 312 HG13 0.02 0.14 -0.01 -0.04 1.21 1.32 3mtfB1 ILE 312 HG23 0.24 -0.02 -0.16 -0.04 0.93 0.94 3mtfB1 ILE 312 HD13 -0.03 -0.02 -0.16 -0.04 0.88 0.63 3mtfB1 ALA 313 H 0.17 0.58 -0.03 -0.55 8.40 8.58 3mtfB1 ALA 313 HA -0.28 -0.03 0.52 -0.75 4.34 3.79 3mtfB1 ALA 313 HB3 -0.07 0.06 0.09 -0.04 1.41 1.45 3mtfB1 SER 314 H 0.02 0.65 -0.15 -0.55 8.46 8.43 3mtfB1 SER 314 HA -0.00 0.00 0.37 -0.75 4.49 4.11 3mtfB1 SER 314 HB2 0.09 0.00 0.06 -0.04 3.95 4.06 3mtfB1 SER 314 HB3 0.12 0.00 -0.00 -0.04 3.93 4.01 3mtfB1 GLY 315 H 0.04 0.63 -0.09 -0.55 8.43 8.47 3mtfB1 GLY 315 HA2 -0.07 -0.03 0.52 -0.51 4.01 3.93 3mtfB1 GLY 315 HA3 0.04 0.22 0.32 -0.51 4.01 4.08 3mtfB1 LEU 316 H -0.06 0.54 -0.17 -0.55 8.37 8.13 3mtfB1 LEU 316 HA -0.13 0.04 0.41 -0.75 4.35 3.91 3mtfB1 LEU 316 HB2 -0.11 0.10 0.12 -0.04 1.64 1.71 3mtfB1 LEU 316 HB3 -0.27 0.03 0.16 -0.04 1.64 1.52 3mtfB1 LEU 316 HG -0.82 -0.06 -0.07 -0.04 1.64 0.65 3mtfB1 LEU 316 HD13 -0.13 -0.02 0.05 -0.04 0.93 0.79 3mtfB1 LEU 316 HD23 -0.18 -0.01 -0.07 -0.04 0.89 0.59 3mtfB1 ALA 317 H -0.14 0.78 0.05 -0.55 8.40 8.54 3mtfB1 ALA 317 HA -0.08 -0.12 0.47 -0.75 4.34 3.85 3mtfB1 ALA 317 HB3 -0.05 0.02 -0.05 -0.04 1.41 1.29 3mtfB1 HIS 318 H -0.05 0.32 -0.48 -0.55 8.41 7.65 3mtfB1 HIS 318 HA -0.12 0.02 0.32 -0.75 4.63 4.10 3mtfB1 HIS 318 HB2 -0.52 0.03 0.12 -0.04 3.26 2.85 3mtfB1 HIS 318 HB3 -0.38 0.12 0.11 -0.04 3.20 3.00 3mtfB1 HIS 318 HD2 -0.10 -0.01 -0.25 -0.04 6.97 6.57 3mtfB1 HIS 318 HE1 0.06 -0.00 0.03 -0.04 7.75 7.79 3mtfB1 LEU 319 H 0.01 0.40 -0.07 -0.55 8.37 8.16 3mtfB1 LEU 319 HA 0.04 0.03 0.54 -0.75 4.35 4.20 3mtfB1 LEU 319 HB2 -0.01 0.04 0.24 -0.04 1.64 1.86 3mtfB1 LEU 319 HB3 0.15 0.13 0.03 -0.04 1.64 1.91 3mtfB1 LEU 319 HG 0.06 0.13 0.05 -0.04 1.64 1.83 3mtfB1 LEU 319 HD13 0.12 -0.05 -0.08 -0.04 0.93 0.87 3mtfB1 LEU 319 HD23 0.06 -0.01 -0.07 -0.04 0.89 0.83 3mtfB1 HIS 320 H 0.05 0.47 -0.16 -0.55 8.41 8.22 3mtfB1 HIS 320 HA 0.11 0.04 0.04 -0.75 4.63 4.08 3mtfB1 HIS 320 HB2 -0.00 0.03 0.21 -0.04 3.26 3.46 3mtfB1 HIS 320 HB3 0.03 -0.14 0.07 -0.04 3.20 3.12 3mtfB1 HIS 320 HD2 0.06 0.40 0.16 -0.04 6.97 7.55 3mtfB1 HIS 320 HE1 0.00 0.09 0.09 -0.04 7.75 7.89 3mtfB1 ILE 321 H 0.01 0.47 -0.29 -0.55 8.25 7.90 3mtfB1 ILE 321 HA 0.02 -0.09 0.45 -0.75 4.18 3.81 3mtfB1 ILE 321 HB -0.07 0.13 0.09 -0.04 1.89 2.00 3mtfB1 ILE 321 HG12 0.02 -0.06 -0.01 -0.04 1.49 1.40 3mtfB1 ILE 321 HG13 0.04 -0.09 -0.02 -0.04 1.21 1.10 3mtfB1 ILE 321 HG23 -0.06 -0.03 -0.22 -0.04 0.93 0.58 3mtfB1 ILE 321 HD13 -0.00 -0.04 -0.06 -0.04 0.88 0.74 3mtfB1 GLU 322 H -0.07 0.01 0.22 -0.55 8.60 8.21 3mtfB1 GLU 322 HA -0.23 0.32 0.47 -0.75 4.29 4.09 3mtfB1 GLU 322 HB2 -0.19 -0.08 0.22 -0.04 2.09 1.99 3mtfB1 GLU 322 HB3 -0.28 -0.09 0.20 -0.04 1.99 1.78 3mtfB1 GLU 322 HG2 -1.43 -0.08 -0.27 -0.04 2.34 0.51 3mtfB1 GLU 322 HG3 -0.49 0.44 0.10 -0.04 2.34 2.34 3mtfB1 ILE 323 H -0.26 0.40 0.28 -0.55 8.25 8.12 3mtfB1 ILE 323 HA -0.23 0.10 0.83 -0.75 4.18 4.12 3mtfB1 ILE 323 HB -0.13 -0.03 0.16 -0.04 1.89 1.85 3mtfB1 ILE 323 HG12 -0.08 -0.06 0.01 -0.04 1.49 1.32 3mtfB1 ILE 323 HG13 -0.18 0.08 -0.19 -0.04 1.21 0.88 3mtfB1 ILE 323 HG23 -0.02 0.01 -0.10 -0.04 0.93 0.77 3mtfB1 ILE 323 HD13 -0.13 0.01 0.01 -0.04 0.88 0.73 3mtfB1 PHE 324 H 0.00 0.14 0.11 -0.55 8.34 8.05 3mtfB1 PHE 324 HA -0.02 0.17 0.82 -0.75 4.62 4.83 3mtfB1 PHE 324 HB2 -0.01 0.00 0.07 -0.04 3.15 3.17 3mtfB1 PHE 324 HB3 -0.01 -0.01 0.06 -0.04 3.06 3.06 3mtfB1 PHE 324 HD2 -0.02 0.01 -0.00 -0.04 7.28 7.23 3mtfB1 PHE 324 HE2 -0.02 -0.06 -0.08 -0.04 7.38 7.18 3mtfB1 PHE 324 HZ -0.01 -0.05 -0.05 -0.04 7.32 7.18 3mtfB1 GLY 325 H 0.15 0.18 0.16 -0.55 8.43 8.37 3mtfB1 GLY 325 HA2 0.06 0.04 0.27 -0.51 4.01 3.87 3mtfB1 GLY 325 HA3 0.06 0.14 0.76 -0.51 4.01 4.47 3mtfB1 THR 326 H 0.03 0.12 0.17 -0.55 8.28 8.05 3mtfB1 THR 326 HA 0.02 0.15 0.53 -0.75 4.39 4.33 3mtfB1 GLN 327 H 0.03 0.03 -0.03 -0.55 8.47 7.95 3mtfB1 GLN 327 HA 0.02 0.22 0.67 -0.75 4.36 4.51 3mtfB1 GLY 328 H 0.01 0.16 -0.88 -0.55 8.43 7.17 3mtfB1 GLY 328 HA2 -0.04 0.07 0.25 -0.51 4.01 3.79 3mtfB1 GLY 328 HA3 -0.04 0.03 -0.10 -0.51 4.01 3.39 3mtfB1 LYS 329 H -0.14 0.52 0.32 -0.55 8.42 8.57 3mtfB1 LYS 329 HA -0.08 0.06 0.65 -0.75 4.32 4.20 3mtfB1 LYS 329 HB2 -0.09 0.10 0.06 -0.04 1.87 1.90 3mtfB1 LYS 329 HB3 -0.06 0.11 -0.09 -0.04 1.79 1.72 3mtfB1 LYS 329 HG2 -0.16 -0.15 -0.05 -0.04 1.46 1.07 3mtfB1 LYS 329 HG3 -0.19 -0.04 0.07 -0.04 1.46 1.26 3mtfB1 LYS 329 HD2 -0.13 -0.04 -0.04 -0.04 1.69 1.45 3mtfB1 LYS 329 HD3 -0.61 -0.02 0.02 -0.04 1.68 1.03 3mtfB1 LYS 329 HE2 -0.09 -0.09 -0.02 -0.04 2.99 2.75 3mtfB1 LYS 329 HE3 -0.12 -0.17 -0.07 -0.04 2.99 2.59 3mtfB1 PRO 330 HA -0.18 -0.01 0.83 -0.51 4.44 4.57 3mtfB1 PRO 330 HB2 -0.16 0.07 0.05 -0.04 2.28 2.19 3mtfB1 PRO 330 HB3 -0.14 -0.11 0.05 -0.04 2.02 1.79 3mtfB1 PRO 330 HG2 -0.10 0.09 -0.08 -0.04 2.03 1.90 3mtfB1 PRO 330 HG3 -0.10 0.01 -0.01 -0.04 2.03 1.89 3mtfB1 PRO 330 HD2 -0.09 0.13 0.18 -0.04 3.68 3.86 3mtfB1 PRO 330 HD3 -0.08 0.12 0.14 -0.04 3.65 3.78 3mtfB1 ALA 331 H -0.19 0.36 0.41 -0.55 8.40 8.43 3mtfB1 ALA 331 HA -0.01 0.34 0.46 -0.75 4.34 4.38 3mtfB1 ALA 331 HB3 -0.05 -0.04 0.15 -0.04 1.41 1.43 3mtfB1 ILE 332 H 0.19 0.63 0.01 -0.55 8.25 8.52 3mtfB1 ILE 332 HA 0.16 0.30 0.96 -0.75 4.18 4.85 3mtfB1 ILE 332 HB 0.07 0.04 0.10 -0.04 1.89 2.06 3mtfB1 ILE 332 HG12 -0.03 -0.05 -0.16 -0.04 1.49 1.21 3mtfB1 ILE 332 HG13 -0.02 0.03 -0.63 -0.04 1.21 0.54 3mtfB1 ILE 332 HG23 0.03 -0.04 -0.22 -0.04 0.93 0.66 3mtfB1 ILE 332 HD13 -0.05 0.00 -0.08 -0.04 0.88 0.71 3mtfB1 ALA 333 H 0.32 0.50 0.18 -0.55 8.40 8.85 3mtfB1 ALA 333 HA 0.23 0.12 0.73 -0.75 4.34 4.67 3mtfB1 ALA 333 HB3 -0.06 0.00 -0.08 -0.04 1.41 1.23 3mtfB1 HIS 334 H 0.31 0.08 0.06 -0.55 8.41 8.31 3mtfB1 HIS 334 HA 0.06 0.16 0.36 -0.75 4.63 4.45 3mtfB1 HIS 334 HB2 0.09 0.09 0.02 -0.04 3.26 3.42 3mtfB1 HIS 334 HB3 0.11 -0.18 0.11 -0.04 3.20 3.19 3mtfB1 HIS 334 HD2 0.04 -0.00 -0.16 -0.04 6.97 6.79 3mtfB1 HIS 334 HE1 0.02 0.07 -0.13 -0.04 7.75 7.67 3mtfB1 ARG 335 H 0.29 0.04 0.04 -0.55 8.46 8.28 3mtfB1 ARG 335 HA 0.20 0.00 0.24 -0.75 4.34 4.02 3mtfB1 ARG 335 HB2 0.08 0.36 -0.22 -0.04 1.90 2.08 3mtfB1 ARG 335 HB3 0.13 -0.04 0.06 -0.04 1.80 1.91 3mtfB1 ARG 335 HG2 0.22 -0.06 -0.07 -0.04 1.67 1.73 3mtfB1 ARG 335 HG3 0.12 -0.16 -0.47 -0.04 1.67 1.12 3mtfB1 ARG 335 HD2 -0.17 -0.09 -0.11 -0.04 3.22 2.80 3mtfB1 ARG 335 HD3 -0.02 0.58 -0.11 -0.04 3.22 3.63 3mtfB1 ASP 336 H 0.74 0.14 -0.49 -0.55 8.40 8.24 3mtfB1 ASP 336 HA 0.15 0.18 0.66 -0.75 4.63 4.87 3mtfB1 ASP 336 HB2 0.12 0.07 -0.21 -0.04 2.71 2.65 3mtfB1 ASP 336 HB3 0.19 0.05 0.03 -0.04 2.70 2.93 3mtfB1 LEU 337 H 0.11 0.09 -0.09 -0.55 8.37 7.92 3mtfB1 LEU 337 HA -0.32 0.14 0.49 -0.75 4.35 3.90 3mtfB1 LEU 337 HB2 -0.24 -0.09 0.06 -0.04 1.64 1.34 3mtfB1 LEU 337 HB3 0.04 0.03 0.09 -0.04 1.64 1.76 3mtfB1 LEU 337 HG -0.03 0.02 -0.20 -0.04 1.64 1.40 3mtfB1 LEU 337 HD13 -0.21 0.01 -0.00 -0.04 0.93 0.68 3mtfB1 LEU 337 HD23 0.14 0.01 -0.06 -0.04 0.89 0.94 3mtfB1 LYS 338 H -0.17 0.36 0.21 -0.55 8.42 8.27 3mtfB1 LYS 338 HA -0.36 0.16 0.35 -0.75 4.32 3.71 3mtfB1 LYS 338 HB2 -1.00 -0.13 0.12 -0.04 1.87 0.82 3mtfB1 LYS 338 HB3 -1.31 0.29 0.03 -0.04 1.79 0.75 3mtfB1 LYS 338 HG2 -0.22 0.25 -0.37 -0.04 1.46 1.08 3mtfB1 LYS 338 HG3 -0.22 -0.26 -0.22 -0.04 1.46 0.72 3mtfB1 LYS 338 HD2 -0.25 -0.02 -0.07 -0.04 1.69 1.30 3mtfB1 LYS 338 HD3 -0.18 0.02 -0.13 -0.04 1.68 1.34 3mtfB1 LYS 338 HE2 -0.08 0.10 -0.09 -0.04 2.99 2.88 3mtfB1 LYS 338 HE3 -0.13 -0.10 -0.15 -0.04 2.99 2.58 3mtfB1 SER 339 H -0.01 0.23 0.14 -0.55 8.46 8.28 3mtfB1 SER 339 HA 0.03 0.15 0.26 -0.75 4.49 4.17 3mtfB1 SER 339 HB2 0.15 -0.01 -0.06 -0.04 3.95 3.99 3mtfB1 SER 339 HB3 0.19 0.11 0.04 -0.04 3.93 4.23 3mtfB1 LYS 340 H -0.06 0.10 -0.09 -0.55 8.42 7.82 3mtfB1 LYS 340 HA -0.01 0.05 0.73 -0.75 4.32 4.33 3mtfB1 LYS 340 HB2 -0.15 0.00 -0.01 -0.04 1.87 1.68 3mtfB1 LYS 340 HB3 -0.14 0.05 0.01 -0.04 1.79 1.67 3mtfB1 LYS 340 HG2 -0.37 0.01 0.03 -0.04 1.46 1.09 3mtfB1 LYS 340 HG3 -0.43 -0.04 0.01 -0.04 1.46 0.96 3mtfB1 LYS 340 HD2 -0.21 -0.01 -0.02 -0.04 1.69 1.42 3mtfB1 LYS 340 HD3 -0.22 0.01 -0.01 -0.04 1.68 1.41 3mtfB1 LYS 340 HE2 -0.73 0.03 -0.02 -0.04 2.99 2.23 3mtfB1 LYS 340 HE3 -1.00 0.02 -0.02 -0.04 2.99 1.95 3mtfB1 ASN 341 H -0.08 0.30 -0.48 -0.55 8.53 7.73 3mtfB1 ASN 341 HA -0.02 0.14 0.76 -0.75 4.76 4.89 3mtfB1 ASN 341 HB2 -0.07 -0.03 0.15 -0.04 2.88 2.89 3mtfB1 ASN 341 HB3 0.05 0.16 0.27 -0.04 2.79 3.22 3mtfB1 ASN 341 HD21 0.00 -0.12 -0.03 -0.04 7.03 6.84 3mtfB1 ASN 341 HD22 0.07 0.55 0.12 -0.04 7.74 8.45 3mtfB1 ILE 342 H -0.02 0.28 -0.37 -0.55 8.25 7.59 3mtfB1 ILE 342 HA -0.01 0.21 0.96 -0.75 4.18 4.58 3mtfB1 ILE 342 HB -0.02 -0.04 0.12 -0.04 1.89 1.91 3mtfB1 ILE 342 HG12 -0.02 0.03 -0.03 -0.04 1.49 1.42 3mtfB1 ILE 342 HG13 -0.05 0.00 -0.46 -0.04 1.21 0.67 3mtfB1 ILE 342 HG23 -0.04 0.01 -0.17 -0.04 0.93 0.70 3mtfB1 ILE 342 HD13 -0.01 -0.03 -0.15 -0.04 0.88 0.64 3mtfB1 LEU 343 H -0.06 0.75 0.30 -0.55 8.37 8.81 3mtfB1 LEU 343 HA -0.07 0.14 1.03 -0.75 4.35 4.69 3mtfB1 LEU 343 HB2 -0.19 -0.04 -0.07 -0.04 1.64 1.30 3mtfB1 LEU 343 HB3 -0.09 0.11 -0.06 -0.04 1.64 1.55 3mtfB1 LEU 343 HG -0.01 -0.10 -0.38 -0.04 1.64 1.11 3mtfB1 LEU 343 HD13 0.09 -0.01 -0.16 -0.04 0.93 0.81 3mtfB1 LEU 343 HD23 -0.02 0.01 -0.24 -0.04 0.89 0.61 3mtfB1 VAL 344 H -0.14 0.63 0.12 -0.55 8.24 8.31 3mtfB1 VAL 344 HA -0.22 0.13 0.71 -0.75 4.13 3.99 3mtfB1 VAL 344 HB -0.31 0.05 -0.12 -0.04 2.12 1.70 3mtfB1 VAL 344 HG13 -0.73 0.04 -0.19 -0.04 0.97 0.05 3mtfB1 VAL 344 HG23 -0.29 -0.02 -0.24 -0.04 0.95 0.35 3mtfB1 LYS 345 H -0.19 0.69 0.19 -0.55 8.42 8.56 3mtfB1 LYS 345 HA -0.03 0.09 0.77 -0.75 4.32 4.40 3mtfB1 LYS 345 HB2 -0.10 0.05 0.00 -0.04 1.87 1.79 3mtfB1 LYS 345 HB3 -0.02 -0.13 0.09 -0.04 1.79 1.69 3mtfB1 LYS 345 HG2 -0.35 -0.03 -0.14 -0.04 1.46 0.90 3mtfB1 LYS 345 HG3 -0.40 -0.03 -0.33 -0.04 1.46 0.65 3mtfB1 LYS 345 HD2 -0.17 0.10 -0.30 -0.04 1.69 1.28 3mtfB1 LYS 345 HD3 -0.11 -0.02 -0.35 -0.04 1.68 1.16 3mtfB1 LYS 345 HE2 -0.03 -0.12 -0.06 -0.04 2.99 2.74 3mtfB1 LYS 345 HE3 0.06 -0.05 -0.05 -0.04 2.99 2.90 3mtfB1 LYS 346 H 0.01 0.14 0.14 -0.55 8.42 8.16 3mtfB1 LYS 346 HA -0.03 0.16 0.36 -0.75 4.32 4.06 3mtfB1 LYS 346 HB2 0.00 -0.02 0.13 -0.04 1.87 1.94 3mtfB1 LYS 346 HB3 -0.00 0.06 0.03 -0.04 1.79 1.84 3mtfB1 LYS 346 HG2 0.01 0.06 0.01 -0.04 1.46 1.50 3mtfB1 LYS 346 HG3 0.02 -0.09 0.06 -0.04 1.46 1.41 3mtfB1 LYS 346 HD2 0.01 0.03 0.02 -0.04 1.69 1.71 3mtfB1 LYS 346 HD3 0.02 0.02 0.01 -0.04 1.68 1.69 3mtfB1 LYS 346 HE2 0.02 0.03 0.03 -0.04 2.99 3.03 3mtfB1 LYS 346 HE3 0.03 -0.06 0.06 -0.04 2.99 2.97 3mtfB1 ASN 347 H -0.03 0.02 -0.19 -0.55 8.53 7.79 3mtfB1 ASN 347 HA -0.02 0.16 0.52 -0.75 4.76 4.66 3mtfB1 ASN 347 HB2 -0.03 0.05 0.11 -0.04 2.88 2.97 3mtfB1 ASN 347 HB3 -0.02 -0.01 0.06 -0.04 2.79 2.78 3mtfB1 ASN 347 HD21 -0.04 0.03 -0.06 -0.04 7.03 6.91 3mtfB1 ASN 347 HD22 -0.03 0.04 -0.02 -0.04 7.74 7.68 3mtfB1 GLY 348 H -0.08 0.27 -0.48 -0.55 8.43 7.60 3mtfB1 GLY 348 HA2 -0.09 0.06 0.19 -0.51 4.01 3.66 3mtfB1 GLY 348 HA3 -0.05 0.14 0.52 -0.51 4.01 4.11 3mtfB1 GLN 349 H -0.07 -0.00 -0.31 -0.55 8.47 7.54 3mtfB1 GLN 349 HA -0.06 0.18 0.57 -0.75 4.36 4.30 3mtfB1 GLN 349 HB2 -0.07 -0.07 -0.07 -0.04 2.15 1.91 3mtfB1 GLN 349 HB3 -0.05 0.08 0.06 -0.04 2.02 2.07 3mtfB1 GLN 349 HG2 -0.04 0.06 -0.06 -0.04 2.40 2.32 3mtfB1 GLN 349 HG3 -0.04 -0.02 -0.10 -0.04 2.39 2.18 3mtfB1 GLN 349 HE21 -0.04 -0.01 -0.03 -0.04 6.97 6.84 3mtfB1 GLN 349 HE22 -0.04 0.01 -0.04 -0.04 7.69 7.59 3mtfB1 CYS 350 H -0.06 0.12 0.15 -0.55 8.50 8.17 3mtfB1 CYS 350 HA -0.15 0.22 0.95 -0.75 4.58 4.85 3mtfB1 CYS 350 HB2 -0.04 -0.02 0.02 -0.04 2.97 2.88 3mtfB1 CYS 350 HB3 -0.06 -0.00 0.00 -0.04 2.97 2.87 3mtfB1 CYS 351 H -0.13 0.60 0.27 -0.55 8.50 8.70 3mtfB1 CYS 351 HA -0.00 0.19 0.34 -0.75 4.58 4.35 3mtfB1 CYS 351 HB2 0.02 -0.07 -0.56 -0.04 2.97 2.32 3mtfB1 CYS 351 HB3 -0.08 0.23 -0.13 -0.04 2.97 2.96 3mtfB1 ILE 352 H 0.05 0.67 0.08 -0.55 8.25 8.50 3mtfB1 ILE 352 HA 0.02 0.11 0.83 -0.75 4.18 4.39 3mtfB1 ILE 352 HB 0.08 0.04 0.20 -0.04 1.89 2.17 3mtfB1 ILE 352 HG12 -0.01 -0.02 0.02 -0.04 1.49 1.44 3mtfB1 ILE 352 HG13 0.03 0.00 0.02 -0.04 1.21 1.22 3mtfB1 ILE 352 HG23 0.09 0.00 -0.15 -0.04 0.93 0.82 3mtfB1 ILE 352 HD13 0.00 0.01 -0.07 -0.04 0.88 0.78 3mtfB1 ALA 353 H 0.08 0.70 0.31 -0.55 8.40 8.94 3mtfB1 ALA 353 HA 0.16 0.09 0.80 -0.75 4.34 4.64 3mtfB1 ALA 353 HB3 0.08 -0.01 -0.09 -0.04 1.41 1.35 3mtfB1 ASP 354 H 0.16 0.10 0.05 -0.55 8.40 8.17 3mtfB1 ASP 354 HA 0.11 -0.04 0.33 -0.75 4.63 4.28 3mtfB1 ASP 354 HB2 0.05 -0.02 -0.20 -0.04 2.71 2.50 3mtfB1 ASP 354 HB3 0.12 0.24 0.04 -0.04 2.70 3.07 3mtfB1 LEU 355 H 0.02 0.14 0.07 -0.55 8.37 8.06 3mtfB1 LEU 355 HA -0.31 0.25 0.70 -0.75 4.35 4.25 3mtfB1 LEU 355 HB2 -0.24 -0.01 0.07 -0.04 1.64 1.42 3mtfB1 LEU 355 HB3 -0.22 0.07 0.14 -0.04 1.64 1.59 3mtfB1 LEU 355 HG -0.08 -0.12 -0.30 -0.04 1.64 1.09 3mtfB1 LEU 355 HD13 -0.53 0.03 -0.06 -0.04 0.93 0.32 3mtfB1 LEU 355 HD23 -0.12 0.03 -0.14 -0.04 0.89 0.63 3mtfB1 GLY 356 H -0.01 0.11 -0.42 -0.55 8.43 7.56 3mtfB1 GLY 356 HA2 0.03 0.11 0.34 -0.51 4.01 3.99 3mtfB1 GLY 356 HA3 0.11 -0.04 0.26 -0.51 4.01 3.84 3mtfB1 LEU 357 H -0.08 0.09 -0.38 -0.55 8.37 7.46 3mtfB1 LEU 357 HA 0.01 0.20 0.76 -0.75 4.35 4.56 3mtfB1 LEU 357 HB2 -0.00 -0.05 -0.08 -0.04 1.64 1.47 3mtfB1 LEU 357 HB3 0.02 0.04 0.01 -0.04 1.64 1.67 3mtfB1 LEU 357 HG 0.06 -0.12 -0.29 -0.04 1.64 1.24 3mtfB1 LEU 357 HD13 0.08 -0.02 -0.35 -0.04 0.93 0.59 3mtfB1 LEU 357 HD23 0.04 0.06 -0.08 -0.04 0.89 0.87 3mtfB1 ALA 358 H -0.08 0.20 -0.32 -0.55 8.40 7.64 3mtfB1 ALA 358 HA -0.05 0.23 0.30 -0.75 4.34 4.06 3mtfB1 ALA 358 HB3 -0.10 -0.04 0.03 -0.04 1.41 1.27 3mtfB1 VAL 359 H 0.01 0.48 0.31 -0.55 8.24 8.49 3mtfB1 VAL 359 HA -0.07 0.25 0.92 -0.75 4.13 4.48 3mtfB1 VAL 359 HB -0.13 -0.15 0.11 -0.04 2.12 1.91 3mtfB1 VAL 359 HG13 -0.13 -0.01 -0.12 -0.04 0.97 0.67 3mtfB1 VAL 359 HG23 -0.43 0.04 -0.04 -0.04 0.95 0.48 3mtfB1 MET 360 H -0.02 0.60 0.37 -0.55 8.47 8.87 3mtfB1 MET 360 HA -0.02 0.44 1.18 -0.75 4.52 5.37 3mtfB1 MET 360 HB2 -0.07 -0.08 0.04 -0.04 2.15 1.99 3mtfB1 MET 360 HB3 -0.10 -0.01 0.08 -0.04 2.03 1.95 3mtfB1 MET 360 HG2 -0.05 0.08 -0.16 -0.04 2.63 2.46 3mtfB1 MET 360 HG3 -0.05 -0.03 -0.37 -0.04 2.56 2.07 3mtfB1 MET 360 HE3 -0.06 -0.01 -0.10 -0.04 2.10 1.89 3mtfB1 HIS 361 H -0.30 0.63 0.33 -0.55 8.41 8.52 3mtfB1 HIS 361 HA -0.26 0.29 0.82 -0.75 4.63 4.73 3mtfB1 HIS 361 HB2 -0.76 0.04 -0.10 -0.04 3.26 2.40 3mtfB1 HIS 361 HB3 -1.73 -0.02 -0.01 -0.04 3.20 1.40 3mtfB1 HIS 361 HD2 -0.24 -0.07 -0.27 -0.04 6.97 6.35 3mtfB1 HIS 361 HE1 -0.00 0.06 -0.18 -0.04 7.75 7.59 3mtfB1 SER 362 H -0.61 0.52 0.30 -0.55 8.46 8.13 3mtfB1 SER 362 HA -0.23 0.20 1.06 -0.75 4.49 4.76 3mtfB1 SER 362 HB2 -0.15 0.18 0.11 -0.04 3.95 4.05 3mtfB1 SER 362 HB3 -0.19 0.02 0.23 -0.04 3.93 3.95 3mtfB1 GLN 363 H -0.01 0.26 0.15 -0.55 8.47 8.33 3mtfB1 GLN 363 HA -0.00 0.14 0.73 -0.75 4.36 4.48 3mtfB1 GLN 363 HB2 0.27 0.03 0.13 -0.04 2.15 2.54 3mtfB1 GLN 363 HB3 0.14 0.07 0.19 -0.04 2.02 2.38 3mtfB1 GLN 363 HG2 0.28 0.00 0.00 -0.04 2.40 2.64 3mtfB1 GLN 363 HG3 0.19 0.00 0.03 -0.04 2.39 2.58 3mtfB1 GLN 363 HE21 0.09 0.02 0.03 -0.04 6.97 7.06 3mtfB1 GLN 363 HE22 0.14 0.00 0.03 -0.04 7.69 7.82 3mtfB1 SER 364 H 0.02 -0.06 -0.39 -0.55 8.46 7.48 3mtfB1 SER 364 HA 0.02 0.23 0.74 -0.75 4.49 4.73 3mtfB1 SER 364 HB2 0.22 -0.03 0.05 -0.04 3.95 4.15 3mtfB1 SER 364 HB3 0.04 0.03 -0.01 -0.04 3.93 3.94 3mtfB1 THR 365 H -0.07 -0.03 0.03 -0.55 8.28 7.66 3mtfB1 THR 365 HA -0.03 0.24 0.75 -0.75 4.39 4.59 3mtfB1 THR 365 HB -0.05 0.06 0.10 -0.04 4.32 4.39 3mtfB1 THR 365 HG23 -0.03 0.01 -0.07 -0.04 1.22 1.09 3mtfB1 ASN 366 H -0.10 -0.03 -0.14 -0.55 8.53 7.71 3mtfB1 ASN 366 HA -0.20 0.13 0.39 -0.75 4.76 4.32 3mtfB1 ASN 366 HB2 -0.01 0.07 -0.14 -0.04 2.88 2.77 3mtfB1 ASN 366 HB3 0.02 -0.02 0.27 -0.04 2.79 3.03 3mtfB1 ASN 366 HD21 0.13 -0.03 0.04 -0.04 7.03 7.13 3mtfB1 ASN 366 HD22 0.17 -0.01 0.02 -0.04 7.74 7.89 3mtfB1 GLN 367 H -0.19 -0.02 -0.19 -0.55 8.47 7.53 3mtfB1 GLN 367 HA -0.02 0.21 0.93 -0.75 4.36 4.73 3mtfB1 GLN 367 HB2 -0.03 0.09 0.06 -0.04 2.15 2.23 3mtfB1 GLN 367 HB3 -0.04 0.10 0.01 -0.04 2.02 2.05 3mtfB1 GLN 367 HG2 -0.10 -0.17 0.03 -0.04 2.40 2.12 3mtfB1 GLN 367 HG3 -0.09 -0.02 -0.07 -0.04 2.39 2.17 3mtfB1 GLN 367 HE21 -0.04 0.03 -0.02 -0.04 6.97 6.90 3mtfB1 GLN 367 HE22 -0.06 -0.05 -0.03 -0.04 7.69 7.51 3mtfB1 LEU 368 H 0.05 0.21 0.16 -0.55 8.37 8.25 3mtfB1 LEU 368 HA 0.10 0.19 0.91 -0.75 4.35 4.80 3mtfB1 LEU 368 HB2 0.24 -0.04 0.07 -0.04 1.64 1.87 3mtfB1 LEU 368 HB3 0.11 0.01 0.13 -0.04 1.64 1.84 3mtfB1 LEU 368 HG 0.10 -0.03 -0.26 -0.04 1.64 1.40 3mtfB1 LEU 368 HD13 0.23 0.04 -0.02 -0.04 0.93 1.14 3mtfB1 LEU 368 HD23 0.22 0.02 -0.18 -0.04 0.89 0.90 3mtfB1 ASP 369 H 0.00 0.72 0.22 -0.55 8.40 8.79 3mtfB1 ASP 369 HA -0.01 0.11 0.89 -0.75 4.63 4.87 3mtfB1 ASP 369 HB2 -0.04 0.02 -0.22 -0.04 2.71 2.43 3mtfB1 ASP 369 HB3 -0.05 -0.02 0.10 -0.04 2.70 2.70 3mtfB1 VAL 370 H -0.01 0.19 0.13 -0.55 8.24 8.00 3mtfB1 VAL 370 HA -0.11 0.17 0.87 -0.75 4.13 4.31 3mtfB1 VAL 370 HB -0.11 0.02 0.11 -0.04 2.12 2.10 3mtfB1 VAL 370 HG13 -0.09 -0.01 -0.10 -0.04 0.97 0.72 3mtfB1 VAL 370 HG23 0.00 0.04 -0.08 -0.04 0.95 0.88 3mtfB1 GLY 371 H -0.01 -0.06 -0.05 -0.55 8.43 7.76 3mtfB1 GLY 371 HA2 0.01 0.00 0.25 -0.51 4.01 3.76 3mtfB1 GLY 371 HA3 0.00 0.12 0.37 -0.51 4.01 4.00 3mtfB1 ASN 372 H 0.00 0.15 -0.08 -0.55 8.53 8.06 3mtfB1 ASN 372 HA -0.00 0.16 0.59 -0.75 4.76 4.75 3mtfB1 ASN 372 HB2 -0.02 0.05 -0.16 -0.04 2.88 2.70 3mtfB1 ASN 372 HB3 -0.05 -0.05 0.11 -0.04 2.79 2.76 3mtfB1 ASN 372 HD21 -0.03 -0.01 -0.01 -0.04 7.03 6.95 3mtfB1 ASN 372 HD22 -0.04 -0.02 -0.00 -0.04 7.74 7.64 3mtfB1 ASN 373 H 0.01 0.35 0.03 -0.55 8.53 8.37 3mtfB1 ASN 373 HA 0.03 0.12 0.92 -0.75 4.76 5.07 3mtfB1 ASN 373 HB2 0.03 0.02 0.00 -0.04 2.88 2.90 3mtfB1 ASN 373 HB3 0.03 0.13 0.10 -0.04 2.79 3.01 3mtfB1 ASN 373 HD21 0.10 -0.20 -0.11 -0.04 7.03 6.78 3mtfB1 ASN 373 HD22 0.06 0.41 0.02 -0.04 7.74 8.18 3mtfB1 PRO 374 HA 0.02 0.18 0.69 -0.51 4.44 4.82 3mtfB1 PRO 374 HB2 0.02 0.01 0.02 -0.04 2.28 2.29 3mtfB1 PRO 374 HB3 0.01 0.03 0.09 -0.04 2.02 2.12 3mtfB1 PRO 374 HG2 0.04 0.02 0.10 -0.04 2.03 2.15 3mtfB1 PRO 374 HG3 0.02 0.05 0.08 -0.04 2.03 2.14 3mtfB1 PRO 374 HD2 0.04 -0.01 0.28 -0.04 3.68 3.94 3mtfB1 PRO 374 HD3 0.01 0.20 0.05 -0.04 3.65 3.88 3mtfB1 ARG 375 H 0.06 -0.02 -0.13 -0.55 8.46 7.81 3mtfB1 ARG 375 HA 0.07 -0.02 0.36 -0.75 4.34 4.00 3mtfB1 ARG 375 HB2 0.09 -0.07 0.07 -0.04 1.90 1.96 3mtfB1 ARG 375 HB3 0.08 0.01 -0.02 -0.04 1.80 1.82 3mtfB1 ARG 375 HG2 0.08 0.09 -0.37 -0.04 1.67 1.42 3mtfB1 ARG 375 HG3 0.09 -0.01 -0.03 -0.04 1.67 1.69 3mtfB1 ARG 375 HD2 0.13 -0.06 -0.07 -0.04 3.22 3.18 3mtfB1 ARG 375 HD3 0.10 0.01 -0.18 -0.04 3.22 3.12 3mtfB1 VAL 376 H 0.07 0.08 0.19 -0.55 8.24 8.02 3mtfB1 VAL 376 HA 0.08 0.22 0.77 -0.75 4.13 4.45 3mtfB1 VAL 376 HB 0.11 0.01 0.04 -0.04 2.12 2.24 3mtfB1 VAL 376 HG13 0.04 0.04 -0.01 -0.04 0.97 0.99 3mtfB1 VAL 376 HG23 0.07 -0.01 0.03 -0.04 0.95 0.99 3mtfB1 GLY 377 H 0.11 0.13 0.05 -0.55 8.43 8.17 3mtfB1 GLY 377 HA2 0.10 -0.01 0.33 -0.51 4.01 3.93 3mtfB1 GLY 377 HA3 0.12 0.15 0.31 -0.51 4.01 4.08 3mtfB1 THR 378 H 0.11 0.10 0.09 -0.55 8.28 8.03 3mtfB1 THR 378 HA 0.12 0.07 0.52 -0.75 4.39 4.35 3mtfB1 THR 378 HB 0.16 0.02 0.04 -0.04 4.32 4.50 3mtfB1 THR 378 HG23 0.21 -0.04 -0.06 -0.04 1.22 1.29 3mtfB1 LYS 379 H 0.13 0.13 0.14 -0.55 8.42 8.27 3mtfB1 LYS 379 HA 0.10 0.11 0.17 -0.75 4.32 3.95 3mtfB1 LYS 379 HB2 0.09 0.02 0.08 -0.04 1.87 2.02 3mtfB1 LYS 379 HB3 0.04 0.06 -0.12 -0.04 1.79 1.73 3mtfB1 LYS 379 HG2 0.21 -0.00 -0.06 -0.04 1.46 1.57 3mtfB1 LYS 379 HG3 0.15 0.05 0.02 -0.04 1.46 1.63 3mtfB1 LYS 379 HD2 0.12 0.02 0.00 -0.04 1.69 1.79 3mtfB1 LYS 379 HD3 0.14 0.05 -0.17 -0.04 1.68 1.66 3mtfB1 LYS 379 HE2 0.45 -0.12 -0.00 -0.04 2.99 3.28 3mtfB1 LYS 379 HE3 0.27 0.06 -0.02 -0.04 2.99 3.27 3mtfB1 ARG 380 H 0.15 0.03 -0.08 -0.55 8.46 8.01 3mtfB1 ARG 380 HA 0.06 0.11 0.26 -0.75 4.34 4.01 3mtfB1 ARG 380 HB2 0.12 -0.02 0.08 -0.04 1.90 2.04 3mtfB1 ARG 380 HB3 0.24 -0.11 -0.00 -0.04 1.80 1.89 3mtfB1 ARG 380 HG2 -0.21 -0.02 -0.17 -0.04 1.67 1.23 3mtfB1 ARG 380 HG3 0.11 0.09 -0.00 -0.04 1.67 1.83 3mtfB1 ARG 380 HD2 0.13 -0.14 -0.03 -0.04 3.22 3.14 3mtfB1 ARG 380 HD3 0.05 0.23 -0.05 -0.04 3.22 3.40 3mtfB1 TYR 381 H 0.40 0.09 -0.64 -0.55 8.29 7.59 3mtfB1 TYR 381 HA 0.36 0.21 0.59 -0.75 4.56 4.96 3mtfB1 TYR 381 HB2 0.17 -0.02 -0.02 -0.04 3.06 3.16 3mtfB1 TYR 381 HB3 0.25 0.01 0.15 -0.04 2.98 3.35 3mtfB1 TYR 381 HD2 0.14 -0.00 -0.02 -0.04 7.15 7.23 3mtfB1 TYR 381 HE2 0.12 -0.02 -0.04 -0.04 6.85 6.88 3mtfB1 MET 382 H 0.16 0.57 -0.30 -0.55 8.47 8.35 3mtfB1 MET 382 HA 0.08 -0.07 0.39 -0.75 4.52 4.17 3mtfB1 MET 382 HB2 -0.05 0.20 0.13 -0.04 2.15 2.39 3mtfB1 MET 382 HB3 -0.12 -0.03 -0.07 -0.04 2.03 1.76 3mtfB1 MET 382 HG2 0.08 -0.08 -0.08 -0.04 2.63 2.51 3mtfB1 MET 382 HG3 0.11 0.17 -0.26 -0.04 2.56 2.55 3mtfB1 MET 382 HE3 0.21 0.01 -0.14 -0.04 2.10 2.14 3mtfB1 ALA 383 H -0.19 0.03 0.22 -0.55 8.40 7.91 3mtfB1 ALA 383 HA -2.23 0.25 0.44 -0.75 4.34 2.04 3mtfB1 ALA 383 HB3 -0.36 0.01 0.18 -0.04 1.41 1.20 3mtfB1 PRO 384 HA -0.38 0.08 0.39 -0.51 4.44 4.02 3mtfB1 PRO 384 HB2 -0.21 0.03 -0.03 -0.04 2.28 2.03 3mtfB1 PRO 384 HB3 -0.29 0.14 -0.01 -0.04 2.02 1.82 3mtfB1 PRO 384 HG2 -0.29 0.03 0.12 -0.04 2.03 1.84 3mtfB1 PRO 384 HG3 -0.34 0.20 0.05 -0.04 2.03 1.89 3mtfB1 PRO 384 HD2 -1.37 0.09 0.23 -0.04 3.68 2.58 3mtfB1 PRO 384 HD3 -2.34 0.26 0.15 -0.04 3.65 1.68 3mtfB1 GLU 385 H -0.25 0.23 -0.10 -0.55 8.60 7.94 3mtfB1 GLU 385 HA -0.11 0.09 0.49 -0.75 4.29 4.01 3mtfB1 GLU 385 HB2 -0.09 -0.05 -0.06 -0.04 2.09 1.85 3mtfB1 GLU 385 HB3 -0.10 0.14 0.06 -0.04 1.99 2.05 3mtfB1 GLU 385 HG2 -0.13 -0.01 -0.21 -0.04 2.34 1.96 3mtfB1 GLU 385 HG3 -0.11 -0.04 -0.06 -0.04 2.34 2.09 3mtfB1 VAL 386 H -0.20 0.29 -0.49 -0.55 8.24 7.29 3mtfB1 VAL 386 HA -0.02 0.07 0.70 -0.75 4.13 4.12 3mtfB1 VAL 386 HB -0.10 0.16 0.05 -0.04 2.12 2.20 3mtfB1 VAL 386 HG13 0.10 0.00 -0.07 -0.04 0.97 0.96 3mtfB1 VAL 386 HG23 -0.03 -0.02 0.00 -0.04 0.95 0.85 3mtfB1 LEU 387 H -0.22 0.38 -0.08 -0.55 8.37 7.90 3mtfB1 LEU 387 HA -0.51 0.04 0.28 -0.75 4.35 3.40 3mtfB1 LEU 387 HB2 -0.29 0.07 0.08 -0.04 1.64 1.46 3mtfB1 LEU 387 HB3 -0.47 -0.07 0.02 -0.04 1.64 1.08 3mtfB1 LEU 387 HG -0.33 0.09 -0.11 -0.04 1.64 1.25 3mtfB1 LEU 387 HD13 -0.32 0.03 -0.26 -0.04 0.93 0.33 3mtfB1 LEU 387 HD23 -0.60 -0.00 -0.05 -0.04 0.89 0.20 3mtfB1 ASP 388 H -0.12 0.47 -0.13 -0.55 8.40 8.07 3mtfB1 ASP 388 HA -0.02 0.15 0.75 -0.75 4.63 4.75 3mtfB1 ASP 388 HB2 -0.04 -0.01 0.11 -0.04 2.71 2.73 3mtfB1 ASP 388 HB3 -0.08 0.01 0.04 -0.04 2.70 2.62 3mtfB1 GLU 389 H 0.01 0.20 -0.64 -0.55 8.60 7.62 3mtfB1 GLU 389 HA 0.03 0.04 0.31 -0.75 4.29 3.92 3mtfB1 GLU 389 HB2 0.03 0.11 -0.21 -0.04 2.09 1.98 3mtfB1 GLU 389 HB3 0.03 -0.05 0.14 -0.04 1.99 2.07 3mtfB1 GLU 389 HG2 0.15 0.11 0.00 -0.04 2.34 2.56 3mtfB1 GLU 389 HG3 0.16 0.06 -0.34 -0.04 2.34 2.18 3mtfB1 THR 390 H -0.03 0.09 -0.29 -0.55 8.28 7.50 3mtfB1 THR 390 HA -0.02 0.20 0.78 -0.75 4.39 4.59 3mtfB1 THR 390 HB -0.03 -0.04 0.10 -0.04 4.32 4.31 3mtfB1 THR 390 HG23 -0.03 0.02 -0.13 -0.04 1.22 1.04 3mtfB1 ILE 391 H -0.04 0.28 -0.10 -0.55 8.25 7.84 3mtfB1 ILE 391 HA -0.09 -0.05 0.34 -0.75 4.18 3.63 3mtfB1 ILE 391 HB -0.08 0.01 -0.25 -0.04 1.89 1.52 3mtfB1 ILE 391 HG12 -0.25 -0.00 -0.35 -0.04 1.49 0.85 3mtfB1 ILE 391 HG13 -0.18 -0.04 -0.07 -0.04 1.21 0.87 3mtfB1 ILE 391 HG23 -0.03 0.00 -0.09 -0.04 0.93 0.77 3mtfB1 ILE 391 HD13 -0.20 -0.00 -0.19 -0.04 0.88 0.45 3mtfB1 GLN 392 H -0.11 0.08 0.12 -0.55 8.47 8.01 3mtfB1 GLN 392 HA -0.04 0.19 0.68 -0.75 4.36 4.43 3mtfB1 VAL 393 H -0.02 0.39 0.08 -0.55 8.24 8.14 3mtfB1 VAL 393 HA -0.06 0.04 0.05 -0.75 4.13 3.41 3mtfB1 VAL 393 HB 0.16 0.02 0.03 -0.04 2.12 2.29 3mtfB1 VAL 393 HG13 0.06 0.05 -0.04 -0.04 0.97 1.00 3mtfB1 VAL 393 HG23 0.04 0.02 -0.01 -0.04 0.95 0.96 3mtfB1 ASP 394 H 0.02 0.04 -0.40 -0.55 8.40 7.52 3mtfB1 ASP 394 HA 0.11 0.14 0.47 -0.75 4.63 4.59 3mtfB1 ASP 394 HB2 0.03 -0.01 -0.04 -0.04 2.71 2.65 3mtfB1 ASP 394 HB3 0.05 0.02 0.09 -0.04 2.70 2.82 3mtfB1 CYS 395 H 0.01 0.51 -0.21 -0.55 8.50 8.26 3mtfB1 CYS 395 HA 0.05 0.17 0.86 -0.75 4.58 4.91 3mtfB1 CYS 395 HB2 -0.01 0.05 -0.02 -0.04 2.97 2.95 3mtfB1 CYS 395 HB3 -0.06 0.07 0.14 -0.04 2.97 3.08 3mtfB1 PHE 396 H 0.08 0.21 0.13 -0.55 8.34 8.21 3mtfB1 PHE 396 HA 0.21 0.15 0.25 -0.75 4.62 4.48 3mtfB1 PHE 396 HB2 -0.33 0.07 0.05 -0.04 3.15 2.90 3mtfB1 PHE 396 HB3 -0.33 -0.03 0.06 -0.04 3.06 2.72 3mtfB1 PHE 396 HD2 -0.02 0.01 -0.14 -0.04 7.28 7.09 3mtfB1 PHE 396 HE2 -0.01 0.11 -0.22 -0.04 7.38 7.21 3mtfB1 PHE 396 HZ -0.00 0.02 -0.64 -0.04 7.32 6.66 3mtfB1 ASP 397 H -0.04 0.11 -0.18 -0.55 8.40 7.75 3mtfB1 ASP 397 HA -0.29 0.06 0.30 -0.75 4.63 3.94 3mtfB1 ASP 397 HB2 -0.07 0.00 -0.01 -0.04 2.71 2.59 3mtfB1 ASP 397 HB3 -0.09 0.07 -0.02 -0.04 2.70 2.62 3mtfB1 SER 398 H -0.20 0.28 -0.41 -0.55 8.46 7.58 3mtfB1 SER 398 HA -0.19 0.02 0.42 -0.75 4.49 3.99 3mtfB1 SER 398 HB2 -0.67 0.20 -0.03 -0.04 3.95 3.41 3mtfB1 SER 398 HB3 -0.35 -0.11 -0.04 -0.04 3.93 3.39 3mtfB1 TYR 399 H -0.39 0.46 -0.25 -0.55 8.29 7.56 3mtfB1 TYR 399 HA -0.08 0.04 0.37 -0.75 4.56 4.14 3mtfB1 TYR 399 HB2 -0.36 0.11 0.08 -0.04 3.06 2.85 3mtfB1 TYR 399 HB3 -0.09 -0.06 -0.02 -0.04 2.98 2.77 3mtfB1 TYR 399 HD2 -0.01 -0.02 -0.01 -0.04 7.15 7.06 3mtfB1 TYR 399 HE2 0.04 0.05 -0.13 -0.04 6.85 6.77 3mtfB1 LYS 400 H -0.45 0.31 -0.09 -0.55 8.42 7.64 3mtfB1 LYS 400 HA -0.49 -0.02 0.49 -0.75 4.32 3.55 3mtfB1 LYS 400 HB2 -0.39 0.08 0.16 -0.04 1.87 1.68 3mtfB1 LYS 400 HB3 -0.38 -0.03 0.06 -0.04 1.79 1.40 3mtfB1 LYS 400 HG2 -1.48 0.00 0.05 -0.04 1.46 -0.01 3mtfB1 LYS 400 HG3 -1.03 0.03 -0.03 -0.04 1.46 0.39 3mtfB1 LYS 400 HD2 -0.24 -0.09 0.03 -0.04 1.69 1.35 3mtfB1 LYS 400 HD3 -0.07 0.18 0.01 -0.04 1.68 1.76 3mtfB1 LYS 400 HE2 -0.26 -0.06 -0.07 -0.04 2.99 2.57 3mtfB1 LYS 400 HE3 -0.16 0.02 0.02 -0.04 2.99 2.83 3mtfB1 ARG 401 H -0.13 0.50 -0.31 -0.55 8.46 7.97 3mtfB1 ARG 401 HA 0.06 0.07 0.39 -0.75 4.34 4.11 3mtfB1 ARG 401 HB2 -0.05 0.06 0.14 -0.04 1.90 2.00 3mtfB1 ARG 401 HB3 0.04 -0.01 0.06 -0.04 1.80 1.85 3mtfB1 ARG 401 HG2 0.03 0.23 0.02 -0.04 1.67 1.91 3mtfB1 ARG 401 HG3 -0.05 -0.08 -0.00 -0.04 1.67 1.50 3mtfB1 ARG 401 HD2 -0.08 -0.06 -0.28 -0.04 3.22 2.76 3mtfB1 ARG 401 HD3 -0.02 -0.15 -0.36 -0.04 3.22 2.65 3mtfB1 VAL 402 H 0.00 0.44 -0.11 -0.55 8.24 8.02 3mtfB1 VAL 402 HA 0.10 0.02 0.60 -0.75 4.13 4.09 3mtfB1 VAL 402 HB 0.07 0.16 0.23 -0.04 2.12 2.55 3mtfB1 VAL 402 HG13 0.14 -0.03 -0.04 -0.04 0.97 0.99 3mtfB1 VAL 402 HG23 -0.04 -0.00 0.04 -0.04 0.95 0.90 3mtfB1 ASP 403 H 0.15 0.44 -0.16 -0.55 8.40 8.28 3mtfB1 ASP 403 HA 0.23 -0.05 0.42 -0.75 4.63 4.48 3mtfB1 ASP 403 HB2 0.31 0.34 0.23 -0.04 2.71 3.55 3mtfB1 ASP 403 HB3 0.23 -0.03 -0.01 -0.04 2.70 2.85 3mtfB1 ILE 404 H 0.21 0.39 -0.13 -0.55 8.25 8.17 3mtfB1 ILE 404 HA 0.18 -0.05 0.50 -0.75 4.18 4.06 3mtfB1 ILE 404 HB 0.17 0.13 0.20 -0.04 1.89 2.34 3mtfB1 ILE 404 HG12 0.19 0.14 0.09 -0.04 1.49 1.87 3mtfB1 ILE 404 HG13 0.10 0.15 0.07 -0.04 1.21 1.49 3mtfB1 ILE 404 HG23 0.10 0.09 -0.01 -0.04 0.93 1.07 3mtfB1 ILE 404 HD13 -0.02 -0.07 -0.11 -0.04 0.88 0.64 3mtfB1 TRP 405 H 0.43 0.41 -0.12 -0.55 7.97 8.14 3mtfB1 TRP 405 HA 0.30 0.32 0.46 -0.75 4.62 4.94 3mtfB1 TRP 405 HB2 0.17 0.06 0.20 -0.04 3.23 3.63 3mtfB1 TRP 405 HB3 0.16 0.09 0.27 -0.04 3.23 3.70 3mtfB1 TRP 405 HD1 0.19 0.09 -0.27 -0.04 7.22 7.19 3mtfB1 TRP 405 HE1 0.10 0.04 -0.40 -0.04 10.20 9.90 3mtfB1 TRP 405 HE3 0.22 0.11 0.06 -0.04 7.59 7.94 3mtfB1 TRP 405 HZ2 0.01 0.02 -0.05 -0.04 7.44 7.39 3mtfB1 TRP 405 HZ3 0.08 0.21 -0.05 -0.04 7.13 7.33 3mtfB1 TRP 405 HH2 -0.11 0.12 0.03 -0.04 7.19 7.18 3mtfB1 ALA 406 H 0.47 0.31 -0.21 -0.55 8.40 8.42 3mtfB1 ALA 406 HA 0.37 0.10 0.48 -0.75 4.34 4.54 3mtfB1 ALA 406 HB3 0.34 0.06 0.10 -0.04 1.41 1.87 3mtfB1 PHE 407 H 0.33 0.51 -0.24 -0.55 8.34 8.39 3mtfB1 PHE 407 HA 0.06 -0.06 0.37 -0.75 4.62 4.24 3mtfB1 PHE 407 HB2 0.03 -0.01 0.08 -0.04 3.15 3.21 3mtfB1 PHE 407 HB3 0.04 0.18 0.15 -0.04 3.06 3.38 3mtfB1 PHE 407 HD2 -0.04 0.04 -0.19 -0.04 7.28 7.06 3mtfB1 PHE 407 HE2 -0.05 -0.03 -0.12 -0.04 7.38 7.14 3mtfB1 PHE 407 HZ -0.04 0.10 -0.01 -0.04 7.32 7.33 3mtfB1 GLY 408 H 0.16 0.60 -0.22 -0.55 8.43 8.43 3mtfB1 GLY 408 HA2 -0.18 -0.04 0.46 -0.51 4.01 3.74 3mtfB1 GLY 408 HA3 -0.28 0.19 0.27 -0.51 4.01 3.68 3mtfB1 LEU 409 H 0.13 0.40 -0.27 -0.55 8.37 8.09 3mtfB1 LEU 409 HA 0.24 0.05 0.49 -0.75 4.35 4.38 3mtfB1 LEU 409 HB2 0.16 0.12 0.15 -0.04 1.64 2.02 3mtfB1 LEU 409 HB3 -0.14 -0.11 0.04 -0.04 1.64 1.39 3mtfB1 LEU 409 HG -0.46 0.21 0.06 -0.04 1.64 1.41 3mtfB1 LEU 409 HD13 0.09 0.00 -0.02 -0.04 0.93 0.96 3mtfB1 LEU 409 HD23 -0.88 -0.02 0.00 -0.04 0.89 -0.05 3mtfB1 VAL 410 H 0.11 0.48 -0.17 -0.55 8.24 8.11 3mtfB1 VAL 410 HA 0.20 -0.02 0.48 -0.75 4.13 4.04 3mtfB1 VAL 410 HB -0.16 0.16 0.04 -0.04 2.12 2.11 3mtfB1 VAL 410 HG13 -0.06 -0.02 -0.23 -0.04 0.97 0.63 3mtfB1 VAL 410 HG23 0.13 0.02 -0.11 -0.04 0.95 0.94 3mtfB1 LEU 411 H -0.24 0.63 -0.19 -0.55 8.37 8.03 3mtfB1 LEU 411 HA -0.24 -0.03 0.49 -0.75 4.35 3.82 3mtfB1 LEU 411 HB2 -0.49 0.18 0.15 -0.04 1.64 1.44 3mtfB1 LEU 411 HB3 -0.16 0.17 0.13 -0.04 1.64 1.75 3mtfB1 LEU 411 HG -0.16 0.00 -0.09 -0.04 1.64 1.34 3mtfB1 LEU 411 HD13 -0.21 -0.03 0.02 -0.04 0.93 0.68 3mtfB1 LEU 411 HD23 -0.03 -0.01 -0.06 -0.04 0.89 0.74 3mtfB1 TRP 412 H 0.27 0.55 -0.19 -0.55 7.97 8.06 3mtfB1 TRP 412 HA 0.20 -0.01 0.39 -0.75 4.62 4.45 3mtfB1 TRP 412 HB2 0.34 0.07 0.11 -0.04 3.23 3.70 3mtfB1 TRP 412 HB3 0.15 0.20 0.18 -0.04 3.23 3.71 3mtfB1 TRP 412 HD1 0.37 -0.01 -0.11 -0.04 7.22 7.43 3mtfB1 TRP 412 HE1 -0.14 0.55 -0.10 -0.04 10.20 10.46 3mtfB1 TRP 412 HE3 -0.01 0.09 -0.11 -0.04 7.59 7.51 3mtfB1 TRP 412 HZ2 -0.01 0.01 0.00 -0.04 7.44 7.39 3mtfB1 TRP 412 HZ3 -0.11 0.09 -0.52 -0.04 7.13 6.55 3mtfB1 TRP 412 HH2 0.08 -0.03 -0.12 -0.04 7.19 7.09 3mtfB1 GLU 413 H 0.33 0.35 -0.20 -0.55 8.60 8.54 3mtfB1 GLU 413 HA -0.11 0.07 0.28 -0.75 4.29 3.77 3mtfB1 GLU 413 HB2 0.21 0.07 0.16 -0.04 2.09 2.48 3mtfB1 GLU 413 HB3 0.33 -0.04 0.01 -0.04 1.99 2.25 3mtfB1 GLU 413 HG2 0.38 0.14 0.13 -0.04 2.34 2.94 3mtfB1 GLU 413 HG3 0.43 0.23 0.14 -0.04 2.34 3.11 3mtfB1 VAL 414 H -0.02 0.45 -0.31 -0.55 8.24 7.80 3mtfB1 VAL 414 HA -0.04 0.06 0.46 -0.75 4.13 3.85 3mtfB1 VAL 414 HB -0.13 0.10 0.12 -0.04 2.12 2.17 3mtfB1 VAL 414 HG13 -0.09 -0.02 -0.13 -0.04 0.97 0.69 3mtfB1 VAL 414 HG23 -0.04 0.05 -0.02 -0.04 0.95 0.90 3mtfB1 ALA 415 H -0.25 0.65 -0.02 -0.55 8.40 8.24 3mtfB1 ALA 415 HA -0.44 -0.06 0.35 -0.75 4.34 3.43 3mtfB1 ALA 415 HB3 -0.97 0.00 0.06 -0.04 1.41 0.46 3mtfB1 ARG 416 H -0.28 0.45 -0.36 -0.55 8.46 7.72 3mtfB1 ARG 416 HA 0.17 -0.06 0.39 -0.75 4.34 4.09 3mtfB1 ARG 416 HB2 -0.33 0.23 0.07 -0.04 1.90 1.84 3mtfB1 ARG 416 HB3 -0.22 0.04 -0.09 -0.04 1.80 1.49 3mtfB1 ARG 416 HG2 -0.24 -0.11 0.04 -0.04 1.67 1.32 3mtfB1 ARG 416 HG3 -0.63 0.10 0.04 -0.04 1.67 1.14 3mtfB1 ARG 416 HD2 -2.07 -0.07 -0.04 -0.04 3.22 1.00 3mtfB1 ARG 416 HD3 -1.18 0.04 -0.00 -0.04 3.22 2.03 3mtfB1 ARG 417 H -0.15 0.38 -0.37 -0.55 8.46 7.78 3mtfB1 ARG 417 HA -0.08 0.19 0.78 -0.75 4.34 4.47 3mtfB1 ARG 417 HB2 -0.08 0.02 0.11 -0.04 1.90 1.91 3mtfB1 ARG 417 HB3 -0.08 -0.02 0.29 -0.04 1.80 1.94 3mtfB1 ARG 417 HG2 -0.04 0.07 0.06 -0.04 1.67 1.72 3mtfB1 ARG 417 HG3 -0.02 -0.02 0.14 -0.04 1.67 1.73 3mtfB1 ARG 417 HD2 -0.06 0.18 -0.22 -0.04 3.22 3.08 3mtfB1 ARG 417 HD3 0.02 -0.15 -0.12 -0.04 3.22 2.93 3mtfB1 MET 418 H -0.21 0.50 -0.29 -0.55 8.47 7.93 3mtfB1 MET 418 HA -0.12 0.08 0.89 -0.75 4.52 4.61 3mtfB1 MET 418 HB2 -0.23 -0.04 0.04 -0.04 2.15 1.88 3mtfB1 MET 418 HB3 -0.30 0.03 0.08 -0.04 2.03 1.80 3mtfB1 MET 418 HG2 -0.13 0.15 -0.30 -0.04 2.63 2.31 3mtfB1 MET 418 HG3 -0.13 -0.02 -0.27 -0.04 2.56 2.10 3mtfB1 MET 418 HE3 -0.14 -0.03 -0.14 -0.04 2.10 1.74 3mtfB1 VAL 419 H -0.08 0.64 0.33 -0.55 8.24 8.58 3mtfB1 VAL 419 HA -0.05 0.39 0.58 -0.75 4.13 4.30 3mtfB1 VAL 419 HB -0.05 -0.07 0.16 -0.04 2.12 2.12 3mtfB1 VAL 419 HG13 -0.03 -0.04 -0.26 -0.04 0.97 0.59 3mtfB1 VAL 419 HG23 -0.05 0.02 -0.07 -0.04 0.95 0.81 3mtfB1 SER 420 H -0.03 0.64 0.29 -0.55 8.46 8.81 3mtfB1 SER 420 HA -0.04 0.02 0.51 -0.75 4.49 4.22 3mtfB1 SER 420 HB2 -0.02 -0.01 0.07 -0.04 3.95 3.95 3mtfB1 SER 420 HB3 -0.07 -0.02 0.05 -0.04 3.93 3.85 3mtfB1 ASN 421 H -0.02 0.14 0.10 -0.55 8.53 8.21 3mtfB1 ASN 421 HA -0.01 0.02 0.35 -0.75 4.76 4.38 3mtfB1 ASN 421 HB2 0.01 0.15 -0.17 -0.04 2.88 2.84 3mtfB1 ASN 421 HB3 0.01 0.02 0.22 -0.04 2.79 2.99 3mtfB1 ASN 421 HD21 0.01 0.10 0.04 -0.04 7.03 7.14 3mtfB1 ASN 421 HD22 0.02 0.04 -0.15 -0.04 7.74 7.61 3mtfB1 GLY 422 H -0.01 0.02 -0.21 -0.55 8.43 7.68 3mtfB1 GLY 422 HA2 -0.02 -0.02 0.21 -0.51 4.01 3.68 3mtfB1 GLY 422 HA3 -0.01 0.06 0.44 -0.51 4.01 3.99 3mtfB1 ILE 423 H -0.00 0.59 -0.54 -0.55 8.25 7.75 3mtfB1 ILE 423 HA -0.00 0.13 0.84 -0.75 4.18 4.40 3mtfB1 ILE 423 HB 0.03 0.13 0.12 -0.04 1.89 2.12 3mtfB1 ILE 423 HG12 0.01 -0.04 -0.00 -0.04 1.49 1.42 3mtfB1 ILE 423 HG13 0.01 0.10 -0.11 -0.04 1.21 1.17 3mtfB1 ILE 423 HG23 0.03 -0.03 -0.15 -0.04 0.93 0.74 3mtfB1 ILE 423 HD13 0.02 -0.03 0.00 -0.04 0.88 0.84 3mtfB1 VAL 424 H -0.00 0.30 0.20 -0.55 8.24 8.19 3mtfB1 VAL 424 HA 0.00 0.21 0.52 -0.75 4.13 4.10 3mtfB1 VAL 424 HB -0.04 -0.07 -0.30 -0.04 2.12 1.68 3mtfB1 VAL 424 HG13 -0.03 -0.02 -0.19 -0.04 0.97 0.69 3mtfB1 VAL 424 HG23 -0.05 0.09 -0.05 -0.04 0.95 0.89 3mtfB1 GLU 425 H -0.00 0.66 0.27 -0.55 8.60 8.98 3mtfB1 GLU 425 HA -0.04 0.07 0.95 -0.75 4.29 4.52 3mtfB1 GLU 425 HB2 -0.05 0.09 0.13 -0.04 2.09 2.22 3mtfB1 GLU 425 HB3 -0.10 0.03 0.10 -0.04 1.99 1.97 3mtfB1 GLU 425 HG2 -0.07 -0.03 0.03 -0.04 2.34 2.23 3mtfB1 GLU 425 HG3 -0.02 -0.03 -0.03 -0.04 2.34 2.22 3mtfB1 ASP 426 H -0.08 0.03 0.11 -0.55 8.40 7.92 3mtfB1 ASP 426 HA -0.06 0.09 0.52 -0.75 4.63 4.42 3mtfB1 ASP 426 HB2 -0.11 -0.06 0.03 -0.04 2.71 2.53 3mtfB1 ASP 426 HB3 -0.08 0.11 0.02 -0.04 2.70 2.72 3mtfB1 TYR 427 H 0.01 0.12 0.15 -0.55 8.29 8.02 3mtfB1 TYR 427 HA -0.15 0.10 0.52 -0.75 4.56 4.27 3mtfB1 TYR 427 HB2 -0.15 0.25 0.05 -0.04 3.06 3.17 3mtfB1 TYR 427 HB3 -0.14 -0.08 0.10 -0.04 2.98 2.82 3mtfB1 TYR 427 HD2 -0.12 0.04 -0.11 -0.04 7.15 6.92 3mtfB1 TYR 427 HE2 0.08 -0.08 -0.13 -0.04 6.85 6.68 3mtfB1 LYS 428 H -0.77 0.26 0.22 -0.55 8.42 7.57 3mtfB1 LYS 428 HA -0.55 0.13 0.29 -0.75 4.32 3.44 3mtfB1 LYS 428 HB2 -0.35 -0.03 0.01 -0.04 1.87 1.46 3mtfB1 LYS 428 HB3 -0.72 0.02 0.05 -0.04 1.79 1.09 3mtfB1 LYS 428 HG2 -0.48 0.10 -0.44 -0.04 1.46 0.61 3mtfB1 LYS 428 HG3 -1.04 -0.08 -0.06 -0.04 1.46 0.24 3mtfB1 LYS 428 HD2 -1.15 -0.06 0.03 -0.04 1.69 0.47 3mtfB1 LYS 428 HD3 -0.40 0.11 0.15 -0.04 1.68 1.50 3mtfB1 LYS 428 HE2 -0.28 -0.01 -0.05 -0.04 2.99 2.60 3mtfB1 LYS 428 HE3 -0.34 -0.05 -0.03 -0.04 2.99 2.53 3mtfB1 PRO 429 HA 0.21 0.12 0.69 -0.51 4.44 4.94 3mtfB1 PRO 429 HB2 0.19 0.11 -0.02 -0.04 2.28 2.52 3mtfB1 PRO 429 HB3 0.37 -0.04 0.05 -0.04 2.02 2.36 3mtfB1 PRO 429 HG2 0.20 0.03 -0.03 -0.04 2.03 2.19 3mtfB1 PRO 429 HG3 0.21 0.02 0.02 -0.04 2.03 2.24 3mtfB1 PRO 429 HD2 -0.05 0.08 0.18 -0.04 3.68 3.85 3mtfB1 PRO 429 HD3 0.00 0.15 0.06 -0.04 3.65 3.83 3mtfB1 PRO 430 HA -0.67 0.01 0.39 -0.51 4.44 3.67 3mtfB1 PRO 430 HB2 -0.61 0.12 -0.02 -0.04 2.28 1.73 3mtfB1 PRO 430 HB3 -0.69 0.06 0.11 -0.04 2.02 1.47 3mtfB1 PRO 430 HG2 -0.86 0.01 0.00 -0.04 2.03 1.14 3mtfB1 PRO 430 HG3 -0.11 0.09 0.02 -0.04 2.03 2.00 3mtfB1 PRO 430 HD2 0.01 0.02 0.15 -0.04 3.68 3.82 3mtfB1 PRO 430 HD3 0.23 0.13 0.21 -0.04 3.65 4.18 3mtfB1 PHE 431 H -0.74 0.10 0.16 -0.55 8.34 7.30 3mtfB1 PHE 431 HA -0.31 -0.02 0.25 -0.75 4.62 3.78 3mtfB1 PHE 431 HB2 -0.16 0.24 -0.06 -0.04 3.15 3.13 3mtfB1 PHE 431 HB3 -0.17 -0.05 0.07 -0.04 3.06 2.87 3mtfB1 PHE 431 HD2 -0.25 0.03 -0.15 -0.04 7.28 6.87 3mtfB1 PHE 431 HE2 -0.21 0.07 -0.21 -0.04 7.38 6.99 3mtfB1 PHE 431 HZ -0.25 0.10 -0.03 -0.04 7.32 7.10 3mtfB1 TYR 432 H 0.15 0.28 -0.12 -0.55 8.29 8.05 3mtfB1 TYR 432 HA 0.04 0.11 0.12 -0.75 4.56 4.08 3mtfB1 TYR 432 HB2 0.04 -0.03 0.07 -0.04 3.06 3.10 3mtfB1 TYR 432 HB3 0.04 0.23 0.07 -0.04 2.98 3.28 3mtfB1 TYR 432 HD2 0.06 0.08 -0.10 -0.04 7.15 7.16 3mtfB1 TYR 432 HE2 0.14 -0.00 -0.04 -0.04 6.85 6.91 3mtfB1 ASP 433 H -0.79 -0.03 -0.34 -0.55 8.40 6.69 3mtfB1 ASP 433 HA -0.29 0.15 0.53 -0.75 4.63 4.27 3mtfB1 ASP 433 HB2 -0.28 0.03 0.04 -0.04 2.71 2.46 3mtfB1 ASP 433 HB3 -0.84 -0.01 0.03 -0.04 2.70 1.83 3mtfB1 VAL 434 H -0.13 0.40 -0.21 -0.55 8.24 7.76 3mtfB1 VAL 434 HA -0.08 0.23 0.98 -0.75 4.13 4.50 3mtfB1 VAL 434 HB -0.09 -0.01 0.11 -0.04 2.12 2.10 3mtfB1 VAL 434 HG13 -0.11 -0.02 -0.23 -0.04 0.97 0.58 3mtfB1 VAL 434 HG23 -0.06 -0.02 -0.12 -0.04 0.95 0.71 3mtfB1 VAL 435 H -0.03 0.38 0.02 -0.55 8.24 8.05 3mtfB1 VAL 435 HA -0.04 0.07 0.51 -0.75 4.13 3.91 3mtfB1 VAL 435 HB -0.03 -0.10 0.07 -0.04 2.12 2.01 3mtfB1 VAL 435 HG13 -0.13 -0.03 -0.23 -0.04 0.97 0.54 3mtfB1 VAL 435 HG23 0.01 0.10 -0.13 -0.04 0.95 0.89 3mtfB1 PRO 436 HA 0.03 0.13 0.51 -0.51 4.44 4.60 3mtfB1 PRO 436 HB2 0.03 0.24 0.04 -0.04 2.28 2.55 3mtfB1 PRO 436 HB3 0.02 -0.01 0.11 -0.04 2.02 2.10 3mtfB1 PRO 436 HG2 0.01 0.01 0.01 -0.04 2.03 2.02 3mtfB1 PRO 436 HG3 0.00 0.03 0.04 -0.04 2.03 2.06 3mtfB1 PRO 436 HD2 -0.00 -0.01 0.09 -0.04 3.68 3.72 3mtfB1 PRO 436 HD3 -0.01 0.12 0.17 -0.04 3.65 3.88 3mtfB1 ASN 437 H 0.05 0.07 0.12 -0.55 8.53 8.22 3mtfB1 ASN 437 HA 0.08 0.08 0.66 -0.75 4.76 4.82 3mtfB1 ASN 437 HB2 0.05 -0.01 0.06 -0.04 2.88 2.95 3mtfB1 ASN 437 HB3 0.07 -0.03 0.06 -0.04 2.79 2.85 3mtfB1 ASN 437 HD21 0.06 0.04 0.04 -0.04 7.03 7.13 3mtfB1 ASN 437 HD22 0.05 -0.02 0.08 -0.04 7.74 7.80 3mtfB1 ASP 438 H 0.07 0.06 0.11 -0.55 8.40 8.10 3mtfB1 ASP 438 HA 0.07 -0.04 0.33 -0.75 4.63 4.23 3mtfB1 ASP 438 HB2 0.06 -0.07 -0.05 -0.04 2.71 2.61 3mtfB1 ASP 438 HB3 0.05 0.12 -0.03 -0.04 2.70 2.80 3mtfB1 PRO 439 HA 0.02 0.04 0.21 -0.51 4.44 4.20 3mtfB1 PRO 439 HB2 -0.02 0.03 -0.08 -0.04 2.28 2.17 3mtfB1 PRO 439 HB3 0.00 0.12 -0.02 -0.04 2.02 2.07 3mtfB1 PRO 439 HG2 0.04 -0.10 -0.08 -0.04 2.03 1.85 3mtfB1 PRO 439 HG3 0.03 0.12 -0.05 -0.04 2.03 2.09 3mtfB1 PRO 439 HD2 0.07 -0.09 0.09 -0.04 3.68 3.71 3mtfB1 PRO 439 HD3 0.06 0.24 -0.01 -0.04 3.65 3.91 3mtfB1 SER 440 H 0.02 0.05 0.17 -0.55 8.46 8.15 3mtfB1 SER 440 HA 0.07 0.21 0.63 -0.75 4.49 4.65 3mtfB1 SER 440 HB2 0.06 -0.00 0.20 -0.04 3.95 4.17 3mtfB1 SER 440 HB3 0.03 0.14 0.16 -0.04 3.93 4.23 3mtfB1 PHE 441 H 0.21 0.18 0.18 -0.55 8.34 8.35 3mtfB1 PHE 441 HA -0.02 0.15 0.45 -0.75 4.62 4.45 3mtfB1 PHE 441 HB2 -0.00 0.02 0.18 -0.04 3.15 3.30 3mtfB1 PHE 441 HB3 -0.01 -0.01 0.12 -0.04 3.06 3.12 3mtfB1 PHE 441 HD2 -0.01 -0.03 -0.02 -0.04 7.28 7.17 3mtfB1 PHE 441 HE2 -0.02 0.08 0.01 -0.04 7.38 7.40 3mtfB1 PHE 441 HZ -0.02 0.16 -0.00 -0.04 7.32 7.42 3mtfB1 GLU 442 H 0.12 0.06 -0.03 -0.55 8.60 8.20 3mtfB1 GLU 442 HA 0.00 0.14 0.37 -0.75 4.29 4.05 3mtfB1 ASP 443 H -0.01 -0.01 -0.16 -0.55 8.40 7.67 3mtfB1 ASP 443 HA -0.06 0.07 0.45 -0.75 4.63 4.33 3mtfB1 ASP 443 HB2 -0.04 0.14 0.09 -0.04 2.71 2.86 3mtfB1 ASP 443 HB3 -0.06 0.12 -0.02 -0.04 2.70 2.69 3mtfB1 MET 444 H -0.13 0.42 -0.37 -0.55 8.47 7.85 3mtfB1 MET 444 HA -0.25 0.06 0.21 -0.75 4.52 3.78 3mtfB1 MET 444 HB2 -0.27 0.06 0.08 -0.04 2.15 1.99 3mtfB1 MET 444 HB3 -0.26 0.06 -0.05 -0.04 2.03 1.74 3mtfB1 MET 444 HG2 -0.09 0.07 -0.17 -0.04 2.63 2.41 3mtfB1 MET 444 HG3 -0.09 0.00 -0.36 -0.04 2.56 2.07 3mtfB1 MET 444 HE3 -0.30 0.06 -0.01 -0.04 2.10 1.80 3mtfB1 ARG 445 H -0.23 0.47 -0.12 -0.55 8.46 8.02 3mtfB1 ARG 445 HA -0.25 0.01 0.37 -0.75 4.34 3.72 3mtfB1 ARG 445 HB2 -0.28 0.15 0.13 -0.04 1.90 1.85 3mtfB1 ARG 445 HB3 -0.12 0.01 0.13 -0.04 1.80 1.77 3mtfB1 ARG 445 HG2 -0.12 -0.09 -0.07 -0.04 1.67 1.35 3mtfB1 ARG 445 HG3 -0.20 -0.07 -0.22 -0.04 1.67 1.15 3mtfB1 ARG 445 HD2 -0.04 -0.04 -0.03 -0.04 3.22 3.07 3mtfB1 ARG 445 HD3 -0.02 0.28 0.03 -0.04 3.22 3.46 3mtfB1 LYS 446 H -0.12 0.62 -0.10 -0.55 8.42 8.25 3mtfB1 LYS 446 HA -0.08 -0.04 0.32 -0.75 4.32 3.76 3mtfB1 LYS 446 HB2 -0.07 -0.04 0.11 -0.04 1.87 1.83 3mtfB1 LYS 446 HB3 -0.09 0.19 0.19 -0.04 1.79 2.04 3mtfB1 LYS 446 HG2 -0.06 0.01 -0.01 -0.04 1.46 1.36 3mtfB1 LYS 446 HG3 -0.08 0.00 -0.26 -0.04 1.46 1.09 3mtfB1 LYS 446 HD2 -0.05 -0.05 0.04 -0.04 1.69 1.59 3mtfB1 LYS 446 HD3 -0.05 -0.02 0.03 -0.04 1.68 1.60 3mtfB1 LYS 446 HE2 -0.03 -0.01 -0.00 -0.04 2.99 2.90 3mtfB1 LYS 446 HE3 -0.04 -0.00 -0.01 -0.04 2.99 2.90 3mtfB1 VAL 447 H -0.18 0.36 -0.30 -0.55 8.24 7.57 3mtfB1 VAL 447 HA -0.14 0.01 0.24 -0.75 4.13 3.48 3mtfB1 VAL 447 HB -0.30 0.08 0.12 -0.04 2.12 1.98 3mtfB1 VAL 447 HG13 -0.38 -0.00 -0.19 -0.04 0.97 0.35 3mtfB1 VAL 447 HG23 -0.14 0.02 0.02 -0.04 0.95 0.81 3mtfB1 VAL 448 H -0.28 0.65 0.05 -0.55 8.24 8.11 3mtfB1 VAL 448 HA -0.15 0.18 0.53 -0.75 4.13 3.94 3mtfB1 VAL 448 HB -0.27 0.01 0.11 -0.04 2.12 1.92 3mtfB1 VAL 448 HG13 -0.20 0.00 -0.09 -0.04 0.97 0.64 3mtfB1 VAL 448 HG23 -0.40 0.02 0.01 -0.04 0.95 0.55 3mtfB1 CYS 449 H -0.16 0.59 -0.01 -0.55 8.50 8.37 3mtfB1 CYS 449 HA -0.10 0.10 0.43 -0.75 4.58 4.26 3mtfB1 CYS 449 HB2 -0.12 0.10 0.17 -0.04 2.97 3.08 3mtfB1 CYS 449 HB3 -0.09 -0.04 -0.00 -0.04 2.97 2.79 3mtfB1 VAL 450 H -0.09 0.30 0.11 -0.55 8.24 8.02 3mtfB1 VAL 450 HA -0.04 0.07 0.51 -0.75 4.13 3.91 3mtfB1 VAL 450 HB -0.06 0.06 0.27 -0.04 2.12 2.35 3mtfB1 VAL 450 HG13 -0.04 -0.01 -0.10 -0.04 0.97 0.79 3mtfB1 VAL 450 HG23 -0.05 -0.02 -0.01 -0.04 0.95 0.84 3mtfB1 ASP 451 H -0.07 0.77 0.22 -0.55 8.40 8.78 3mtfB1 ASP 451 HA -0.04 -0.02 0.33 -0.75 4.63 4.15 3mtfB1 ASP 451 HB2 -0.08 0.11 0.11 -0.04 2.71 2.81 3mtfB1 ASP 451 HB3 -0.05 -0.05 0.06 -0.04 2.70 2.61 3mtfB1 GLN 452 H -0.06 -0.03 -1.02 -0.55 8.47 6.81 3mtfB1 GLN 452 HA -0.01 0.32 0.21 -0.75 4.36 4.13 3mtfB1 GLN 452 HB2 -0.01 0.14 -0.37 -0.04 2.15 1.87 3mtfB1 GLN 452 HB3 0.00 0.02 0.05 -0.04 2.02 2.05 3mtfB1 GLN 452 HG2 0.05 -0.01 0.10 -0.04 2.40 2.50 3mtfB1 GLN 452 HG3 0.02 0.03 0.07 -0.04 2.39 2.47 3mtfB1 GLN 452 HE21 0.06 -0.08 0.04 -0.04 6.97 6.94 3mtfB1 GLN 452 HE22 0.08 -0.02 0.05 -0.04 7.69 7.76 3mtfB1 GLN 453 H -0.06 0.55 -0.01 -0.55 8.47 8.41 3mtfB1 GLN 453 HA -0.03 0.07 0.57 -0.75 4.36 4.21 3mtfB1 GLN 453 HB2 -0.09 -0.00 -0.14 -0.04 2.15 1.87 3mtfB1 GLN 453 HB3 -0.03 -0.09 -0.10 -0.04 2.02 1.76 3mtfB1 GLN 453 HG2 -0.06 0.07 -0.21 -0.04 2.40 2.16 3mtfB1 GLN 453 HG3 -0.09 -0.09 -0.04 -0.04 2.39 2.13 3mtfB1 GLN 453 HE21 -0.06 -0.04 -0.04 -0.04 6.97 6.79 3mtfB1 GLN 453 HE22 -0.07 -0.02 -0.04 -0.04 7.69 7.52 3mtfB1 ARG 454 H -0.10 0.23 0.17 -0.55 8.46 8.20 3mtfB1 ARG 454 HA -0.36 0.16 0.70 -0.75 4.34 4.08 3mtfB1 ARG 454 HB2 -0.15 -0.05 -0.05 -0.04 1.90 1.60 3mtfB1 ARG 454 HB3 -0.82 0.02 0.03 -0.04 1.80 0.99 3mtfB1 ARG 454 HG2 -0.02 0.04 -0.61 -0.04 1.67 1.03 3mtfB1 ARG 454 HG3 0.05 -0.05 -0.10 -0.04 1.67 1.54 3mtfB1 ARG 454 HD2 -0.80 -0.09 0.03 -0.04 3.22 2.32 3mtfB1 ARG 454 HD3 -0.14 0.14 0.11 -0.04 3.22 3.29 3mtfB1 PRO 455 HA -0.72 -0.05 0.33 -0.51 4.44 3.49 3mtfB1 PRO 455 HB2 -1.57 0.07 -0.02 -0.04 2.28 0.72 3mtfB1 PRO 455 HB3 -2.38 -0.04 0.09 -0.04 2.02 -0.35 3mtfB1 PRO 455 HG2 -1.41 0.06 0.06 -0.04 2.03 0.70 3mtfB1 PRO 455 HG3 -1.84 -0.07 0.07 -0.04 2.03 0.14 3mtfB1 PRO 455 HD2 -2.98 0.14 0.13 -0.04 3.68 0.93 3mtfB1 PRO 455 HD3 -1.52 0.17 0.15 -0.04 3.65 2.41 3mtfB1 ASN 456 H -0.20 0.01 0.16 -0.55 8.53 7.96 3mtfB1 ASN 456 HA -0.02 0.12 0.60 -0.75 4.76 4.71 3mtfB1 ASN 456 HB2 0.03 -0.06 0.10 -0.04 2.88 2.90 3mtfB1 ASN 456 HB3 -0.02 0.02 -0.12 -0.04 2.79 2.64 3mtfB1 ASN 456 HD21 -0.06 0.02 -0.01 -0.04 7.03 6.94 3mtfB1 ASN 456 HD22 -0.03 -0.04 -0.01 -0.04 7.74 7.62 3mtfB1 ILE 457 H 0.02 0.16 0.10 -0.55 8.25 7.98 3mtfB1 ILE 457 HA -0.61 0.16 0.68 -0.75 4.18 3.65 3mtfB1 ILE 457 HB 0.08 -0.05 0.12 -0.04 1.89 2.01 3mtfB1 ILE 457 HG12 0.17 0.03 0.03 -0.04 1.49 1.68 3mtfB1 ILE 457 HG13 0.19 -0.01 -0.01 -0.04 1.21 1.33 3mtfB1 ILE 457 HG23 -0.47 0.05 -0.09 -0.04 0.93 0.38 3mtfB1 ILE 457 HD13 0.35 0.01 -0.20 -0.04 0.88 1.00 3mtfB1 PRO 458 HA -0.26 0.04 0.48 -0.51 4.44 4.18 3mtfB1 PRO 458 HB2 -0.85 -0.10 -0.06 -0.04 2.28 1.24 3mtfB1 PRO 458 HB3 -0.29 0.03 0.06 -0.04 2.02 1.77 3mtfB1 PRO 458 HG2 -0.77 0.08 0.04 -0.04 2.03 1.34 3mtfB1 PRO 458 HG3 -0.42 0.07 0.05 -0.04 2.03 1.69 3mtfB1 PRO 458 HD2 -3.18 0.05 0.20 -0.04 3.68 0.71 3mtfB1 PRO 458 HD3 -0.77 0.51 0.24 -0.04 3.65 3.59 3mtfB1 ASN 459 H -0.08 0.15 0.16 -0.55 8.53 8.20 3mtfB1 ASN 459 HA 0.15 0.16 0.34 -0.75 4.76 4.65 3mtfB1 ASN 459 HB2 0.03 0.05 0.13 -0.04 2.88 3.05 3mtfB1 ASN 459 HB3 0.02 -0.02 0.08 -0.04 2.79 2.84 3mtfB1 ASN 459 HD21 0.06 0.01 0.00 -0.04 7.03 7.07 3mtfB1 ASN 459 HD22 0.08 0.03 0.03 -0.04 7.74 7.85 3mtfB1 ARG 460 H -0.01 0.09 -0.21 -0.55 8.46 7.77 3mtfB1 ARG 460 HA 0.09 0.09 0.22 -0.75 4.34 3.98 3mtfB1 ARG 460 HB2 0.09 0.06 0.01 -0.04 1.90 2.01 3mtfB1 ARG 460 HB3 0.05 -0.00 0.03 -0.04 1.80 1.84 3mtfB1 ARG 460 HG2 0.08 0.01 -0.10 -0.04 1.67 1.63 3mtfB1 ARG 460 HG3 0.18 -0.08 -0.19 -0.04 1.67 1.54 3mtfB1 ARG 460 HD2 0.24 -0.05 -0.40 -0.04 3.22 2.97 3mtfB1 ARG 460 HD3 0.10 0.06 -0.12 -0.04 3.22 3.22 3mtfB1 TRP 461 H 0.06 0.36 -0.64 -0.55 7.97 7.21 3mtfB1 TRP 461 HA -0.14 0.03 0.37 -0.75 4.62 4.13 3mtfB1 TRP 461 HB2 -0.48 0.15 -0.07 -0.04 3.23 2.80 3mtfB1 TRP 461 HB3 -0.34 -0.00 -0.16 -0.04 3.23 2.69 3mtfB1 TRP 461 HD1 -0.12 -0.12 -0.23 -0.04 7.22 6.71 3mtfB1 TRP 461 HE1 -0.17 0.05 -0.07 -0.04 10.20 9.96 3mtfB1 TRP 461 HE3 -0.22 0.01 -0.02 -0.04 7.59 7.32 3mtfB1 TRP 461 HZ2 -0.46 0.01 -0.13 -0.04 7.44 6.82 3mtfB1 TRP 461 HZ3 0.04 -0.00 -0.06 -0.04 7.13 7.06 3mtfB1 TRP 461 HH2 -0.69 0.06 0.02 -0.04 7.19 6.54 3mtfB1 PHE 462 H 0.08 0.42 -0.21 -0.55 8.34 8.08 3mtfB1 PHE 462 HA 0.09 0.10 0.63 -0.75 4.62 4.68 3mtfB1 PHE 462 HB2 0.05 0.16 0.10 -0.04 3.15 3.42 3mtfB1 PHE 462 HB3 0.05 -0.04 0.16 -0.04 3.06 3.19 3mtfB1 PHE 462 HD2 0.05 0.01 0.03 -0.04 7.28 7.32 3mtfB1 PHE 462 HE2 0.04 0.02 -0.03 -0.04 7.38 7.36 3mtfB1 PHE 462 HZ 0.07 0.01 -0.04 -0.04 7.32 7.31 3mtfB1 SER 463 H 0.14 0.39 -0.71 -0.55 8.46 7.74 3mtfB1 SER 463 HA 0.09 0.15 0.74 -0.75 4.49 4.71 3mtfB1 SER 463 HB2 0.08 0.12 0.05 -0.04 3.95 4.15 3mtfB1 SER 463 HB3 0.06 -0.06 0.15 -0.04 3.93 4.04 3mtfB1 ASP 464 H 0.07 0.38 -0.23 -0.55 8.40 8.07 3mtfB1 ASP 464 HA 0.01 0.17 0.63 -0.75 4.63 4.69 3mtfB1 ASP 464 HB2 -0.01 0.10 -0.01 -0.04 2.71 2.75 3mtfB1 ASP 464 HB3 -0.04 0.02 0.11 -0.04 2.70 2.75 3mtfB1 PRO 465 HA 0.02 0.15 0.42 -0.51 4.44 4.53 3mtfB1 PRO 465 HB2 -0.01 0.01 0.12 -0.04 2.28 2.36 3mtfB1 PRO 465 HB3 0.01 0.07 0.07 -0.04 2.02 2.12 3mtfB1 PRO 465 HG2 0.00 0.06 0.08 -0.04 2.03 2.13 3mtfB1 PRO 465 HG3 0.02 0.09 0.01 -0.04 2.03 2.10 3mtfB1 PRO 465 HD2 -0.01 0.10 0.21 -0.04 3.68 3.94 3mtfB1 PRO 465 HD3 0.02 0.22 -0.04 -0.04 3.65 3.81 3mtfB1 THR 466 H -0.05 0.17 0.00 -0.55 8.28 7.85 3mtfB1 THR 466 HA -0.06 0.08 0.44 -0.75 4.39 4.09 3mtfB1 THR 466 HB -0.11 -0.05 0.10 -0.04 4.32 4.21 3mtfB1 THR 466 HG23 -0.11 0.01 -0.09 -0.04 1.22 0.98 3mtfB1 LEU 467 H -0.15 0.11 -0.16 -0.55 8.37 7.63 3mtfB1 LEU 467 HA -0.35 0.01 0.38 -0.75 4.35 3.63 3mtfB1 LEU 467 HB2 -0.21 0.11 0.12 -0.04 1.64 1.62 3mtfB1 LEU 467 HB3 -0.56 -0.01 0.05 -0.04 1.64 1.07 3mtfB1 LEU 467 HG -0.36 -0.13 -0.01 -0.04 1.64 1.09 3mtfB1 LEU 467 HD13 -0.36 0.03 -0.06 -0.04 0.93 0.50 3mtfB1 LEU 467 HD23 -1.14 0.02 0.02 -0.04 0.89 -0.25 3mtfB1 THR 468 H -0.04 0.38 -0.32 -0.55 8.28 7.75 3mtfB1 THR 468 HA -0.01 0.01 0.53 -0.75 4.39 4.17 3mtfB1 THR 468 HB 0.06 0.08 0.22 -0.04 4.32 4.64 3mtfB1 THR 468 HG23 0.19 -0.03 -0.08 -0.04 1.22 1.25 3mtfB1 SER 469 H -0.03 0.56 -0.07 -0.55 8.46 8.37 3mtfB1 SER 469 HA 0.01 0.01 0.42 -0.75 4.49 4.17 3mtfB1 SER 469 HB2 -0.04 0.13 0.20 -0.04 3.95 4.20 3mtfB1 SER 469 HB3 -0.02 -0.06 0.00 -0.04 3.93 3.81 3mtfB1 LEU 470 H -0.11 0.44 -0.11 -0.55 8.37 8.04 3mtfB1 LEU 470 HA -0.09 0.02 0.48 -0.75 4.35 4.01 3mtfB1 LEU 470 HB2 -0.28 0.05 0.09 -0.04 1.64 1.46 3mtfB1 LEU 470 HB3 -0.21 -0.02 -0.01 -0.04 1.64 1.36 3mtfB1 LEU 470 HG -0.16 0.24 -0.07 -0.04 1.64 1.61 3mtfB1 LEU 470 HD13 -0.25 -0.01 -0.11 -0.04 0.93 0.51 3mtfB1 LEU 470 HD23 -0.08 -0.01 -0.09 -0.04 0.89 0.66 3mtfB1 ALA 471 H -0.06 0.62 -0.16 -0.55 8.40 8.25 3mtfB1 ALA 471 HA 0.07 -0.00 0.41 -0.75 4.34 4.07 3mtfB1 ALA 471 HB3 0.08 0.04 0.07 -0.04 1.41 1.56 3mtfB1 LYS 472 H 0.03 0.49 -0.21 -0.55 8.42 8.18 3mtfB1 LYS 472 HA 0.02 0.02 0.46 -0.75 4.32 4.07 3mtfB1 LYS 472 HB2 0.01 0.12 0.09 -0.04 1.87 2.05 3mtfB1 LYS 472 HB3 0.02 -0.05 -0.04 -0.04 1.79 1.68 3mtfB1 LYS 472 HG2 0.11 -0.05 0.03 -0.04 1.46 1.51 3mtfB1 LYS 472 HG3 0.08 0.25 0.06 -0.04 1.46 1.81 3mtfB1 LYS 472 HD2 0.04 -0.02 -0.02 -0.04 1.69 1.65 3mtfB1 LYS 472 HD3 0.06 -0.03 -0.01 -0.04 1.68 1.66 3mtfB1 LYS 472 HE2 0.05 -0.03 -0.03 -0.04 2.99 2.94 3mtfB1 LYS 472 HE3 0.09 0.02 -0.05 -0.04 2.99 3.01 3mtfB1 LEU 473 H -0.06 0.47 -0.17 -0.55 8.37 8.07 3mtfB1 LEU 473 HA -0.07 -0.01 0.46 -0.75 4.35 3.98 3mtfB1 LEU 473 HB2 -0.08 0.19 0.19 -0.04 1.64 1.90 3mtfB1 LEU 473 HB3 -0.04 -0.07 -0.08 -0.04 1.64 1.41 3mtfB1 LEU 473 HG -0.03 0.17 0.06 -0.04 1.64 1.80 3mtfB1 LEU 473 HD13 0.02 -0.03 -0.04 -0.04 0.93 0.84 3mtfB1 LEU 473 HD23 -0.01 -0.03 -0.00 -0.04 0.89 0.81 3mtfB1 MET 474 H -0.24 0.66 -0.12 -0.55 8.47 8.22 3mtfB1 MET 474 HA -0.70 -0.05 0.34 -0.75 4.52 3.35 3mtfB1 MET 474 HB2 -0.43 0.21 0.16 -0.04 2.15 2.05 3mtfB1 MET 474 HB3 -1.69 -0.01 -0.07 -0.04 2.03 0.22 3mtfB1 MET 474 HG2 -0.34 0.06 0.06 -0.04 2.63 2.36 3mtfB1 MET 474 HG3 -0.23 0.08 0.00 -0.04 2.56 2.38 3mtfB1 MET 474 HE3 -0.09 0.01 -0.37 -0.04 2.10 1.61 3mtfB1 LYS 475 H -0.34 0.51 -0.24 -0.55 8.42 7.80 3mtfB1 LYS 475 HA -0.18 0.04 0.37 -0.75 4.32 3.79 3mtfB1 LYS 475 HB2 -0.12 0.12 0.10 -0.04 1.87 1.93 3mtfB1 LYS 475 HB3 -0.08 -0.06 0.01 -0.04 1.79 1.62 3mtfB1 LYS 475 HG2 0.01 -0.04 0.02 -0.04 1.46 1.40 3mtfB1 LYS 475 HG3 -0.00 0.26 0.02 -0.04 1.46 1.70 3mtfB1 LYS 475 HD2 0.08 -0.03 -0.02 -0.04 1.69 1.67 3mtfB1 LYS 475 HD3 0.13 -0.01 -0.02 -0.04 1.68 1.75 3mtfB1 LYS 475 HE2 0.23 -0.02 -0.04 -0.04 2.99 3.12 3mtfB1 LYS 475 HE3 0.23 0.02 -0.10 -0.04 2.99 3.10 3mtfB1 GLU 476 H -0.28 0.46 -0.27 -0.55 8.60 7.97 3mtfB1 GLU 476 HA -0.99 0.07 0.61 -0.75 4.29 3.23 3mtfB1 GLU 476 HB2 -0.06 0.07 0.13 -0.04 2.09 2.18 3mtfB1 GLU 476 HB3 0.11 -0.08 0.17 -0.04 1.99 2.16 3mtfB1 GLU 476 HG2 0.02 -0.04 -0.03 -0.04 2.34 2.24 3mtfB1 GLU 476 HG3 -0.06 0.27 0.07 -0.04 2.34 2.57 3mtfB1 CYS 477 H -0.39 0.47 -0.31 -0.55 8.50 7.73 3mtfB1 CYS 477 HA 0.03 0.02 0.80 -0.75 4.58 4.68 3mtfB1 CYS 477 HB2 -0.53 0.13 0.11 -0.04 2.97 2.64 3mtfB1 CYS 477 HB3 0.00 0.10 0.05 -0.04 2.97 3.08 3mtfB1 TRP 478 H -0.16 0.33 -0.31 -0.55 7.97 7.29 3mtfB1 TRP 478 HA 0.09 0.15 0.69 -0.75 4.62 4.80 3mtfB1 TRP 478 HB2 -0.17 0.06 0.07 -0.04 3.23 3.16 3mtfB1 TRP 478 HB3 -0.13 -0.02 0.14 -0.04 3.23 3.18 3mtfB1 TRP 478 HD1 -0.96 0.09 -0.17 -0.04 7.22 6.14 3mtfB1 TRP 478 HE1 -0.58 -0.13 -0.28 -0.04 10.20 9.17 3mtfB1 TRP 478 HE3 -0.15 0.00 -0.10 -0.04 7.59 7.30 3mtfB1 TRP 478 HZ2 -0.28 -0.01 -0.15 -0.04 7.44 6.95 3mtfB1 TRP 478 HZ3 -0.11 0.07 -0.10 -0.04 7.13 6.95 3mtfB1 TRP 478 HH2 -0.19 -0.04 -0.09 -0.04 7.19 6.82 3mtfB1 TYR 479 H 0.19 0.07 -0.31 -0.55 8.29 7.69 3mtfB1 TYR 479 HA 0.20 0.06 0.47 -0.75 4.56 4.54 3mtfB1 TYR 479 HB2 0.14 0.06 -0.09 -0.04 3.06 3.13 3mtfB1 TYR 479 HB3 0.11 -0.17 0.03 -0.04 2.98 2.91 3mtfB1 TYR 479 HD2 0.09 0.01 -0.15 -0.04 7.15 7.06 3mtfB1 TYR 479 HE2 0.05 0.01 0.01 -0.04 6.85 6.88 3mtfB1 GLN 480 H 0.26 0.11 0.17 -0.55 8.47 8.47 3mtfB1 GLN 480 HA 0.15 0.17 0.49 -0.75 4.36 4.42 3mtfB1 GLN 480 HB2 0.12 0.12 0.15 -0.04 2.15 2.50 3mtfB1 GLN 480 HB3 0.08 -0.06 0.09 -0.04 2.02 2.09 3mtfB1 GLN 480 HG2 0.00 -0.05 0.02 -0.04 2.40 2.33 3mtfB1 GLN 480 HG3 -0.01 -0.10 0.17 -0.04 2.39 2.41 3mtfB1 GLN 480 HE21 -0.07 0.07 0.15 -0.04 6.97 7.07 3mtfB1 GLN 480 HE22 -0.08 -0.16 0.01 -0.04 7.69 7.42 3mtfB1 ASN 481 H 0.14 0.04 -0.21 -0.55 8.53 7.96 3mtfB1 ASN 481 HA 0.03 0.19 0.73 -0.75 4.76 4.96 3mtfB1 ASN 481 HB2 0.01 0.06 0.05 -0.04 2.88 2.96 3mtfB1 ASN 481 HB3 -0.00 -0.01 0.12 -0.04 2.79 2.86 3mtfB1 ASN 481 HD21 -0.02 0.01 -0.04 -0.04 7.03 6.94 3mtfB1 ASN 481 HD22 -0.03 0.05 -0.01 -0.04 7.74 7.71 3mtfB1 PRO 482 HA 0.12 0.21 0.18 -0.51 4.44 4.43 3mtfB1 PRO 482 HB2 -0.01 -0.02 -0.02 -0.04 2.28 2.18 3mtfB1 PRO 482 HB3 0.01 0.03 0.04 -0.04 2.02 2.06 3mtfB1 PRO 482 HG2 -0.04 -0.03 0.06 -0.04 2.03 1.98 3mtfB1 PRO 482 HG3 -0.02 0.06 0.05 -0.04 2.03 2.07 3mtfB1 PRO 482 HD2 -0.01 0.02 0.18 -0.04 3.68 3.83 3mtfB1 PRO 482 HD3 0.00 0.41 0.36 -0.04 3.65 4.39 3mtfB1 SER 483 H 0.01 0.08 -0.24 -0.55 8.46 7.76 3mtfB1 SER 483 HA 0.01 0.07 0.42 -0.75 4.49 4.23 3mtfB1 SER 483 HB2 -0.01 0.02 -0.11 -0.04 3.95 3.80 3mtfB1 SER 483 HB3 -0.01 0.02 0.00 -0.04 3.93 3.90 3mtfB1 ALA 484 H 0.02 0.26 -0.37 -0.55 8.40 7.76 3mtfB1 ALA 484 HA -0.07 0.03 0.44 -0.75 4.34 3.99 3mtfB1 ALA 484 HB3 -0.31 0.01 0.06 -0.04 1.41 1.13 3mtfB1 ARG 485 H 0.14 0.22 -0.47 -0.55 8.46 7.79 3mtfB1 ARG 485 HA 0.34 0.21 0.38 -0.75 4.34 4.52 3mtfB1 ARG 485 HB2 0.15 0.06 0.12 -0.04 1.90 2.19 3mtfB1 ARG 485 HB3 0.16 0.02 0.08 -0.04 1.80 2.02 3mtfB1 ARG 485 HG2 0.27 -0.05 -0.28 -0.04 1.67 1.57 3mtfB1 ARG 485 HG3 0.31 -0.07 -0.12 -0.04 1.67 1.75 3mtfB1 ARG 485 HD2 0.21 -0.08 0.08 -0.04 3.22 3.38 3mtfB1 ARG 485 HD3 0.34 0.08 0.03 -0.04 3.22 3.63 3mtfB1 LEU 486 H 0.12 0.37 0.23 -0.55 8.37 8.54 3mtfB1 LEU 486 HA 0.06 0.03 0.49 -0.75 4.35 4.17 3mtfB1 LEU 486 HB2 0.02 0.00 -0.04 -0.04 1.64 1.59 3mtfB1 LEU 486 HB3 0.01 -0.10 0.04 -0.04 1.64 1.55 3mtfB1 LEU 486 HG 0.08 0.14 0.07 -0.04 1.64 1.88 3mtfB1 LEU 486 HD13 0.00 -0.01 -0.06 -0.04 0.93 0.82 3mtfB1 LEU 486 HD23 0.06 -0.00 0.01 -0.04 0.89 0.91 3mtfB1 THR 487 H 0.02 0.05 0.19 -0.55 8.28 7.99 3mtfB1 THR 487 HA 0.04 0.29 0.81 -0.75 4.39 4.78 3mtfB1 THR 487 HB 0.04 -0.06 0.14 -0.04 4.32 4.39 3mtfB1 THR 487 HG23 0.03 0.07 0.01 -0.04 1.22 1.29 3mtfB1 ALA 488 H 0.07 0.24 0.15 -0.55 8.40 8.31 3mtfB1 ALA 488 HA -0.21 0.12 0.30 -0.75 4.34 3.81 3mtfB1 ALA 488 HB3 -0.14 0.04 0.02 -0.04 1.41 1.29 3mtfB1 LEU 489 H -0.00 0.10 -0.10 -0.55 8.37 7.83 3mtfB1 LEU 489 HA -0.03 0.11 0.41 -0.75 4.35 4.08 3mtfB1 LEU 489 HB2 0.01 0.06 0.09 -0.04 1.64 1.75 3mtfB1 LEU 489 HB3 0.01 -0.04 0.05 -0.04 1.64 1.62 3mtfB1 LEU 489 HG 0.01 0.01 -0.15 -0.04 1.64 1.47 3mtfB1 LEU 489 HD13 0.00 -0.00 0.04 -0.04 0.93 0.93 3mtfB1 LEU 489 HD23 0.02 0.02 -0.02 -0.04 0.89 0.87 3mtfB1 ARG 490 H -0.01 0.03 -0.28 -0.55 8.46 7.65 3mtfB1 ARG 490 HA -0.00 0.07 0.42 -0.75 4.34 4.07 3mtfB1 ARG 490 HB2 0.01 -0.02 0.11 -0.04 1.90 1.96 3mtfB1 ARG 490 HB3 -0.00 0.02 0.16 -0.04 1.80 1.94 3mtfB1 ARG 490 HG2 0.02 0.04 0.03 -0.04 1.67 1.72 3mtfB1 ARG 490 HG3 0.01 0.03 -0.10 -0.04 1.67 1.57 3mtfB1 ARG 490 HD2 0.01 -0.02 0.04 -0.04 3.22 3.20 3mtfB1 ARG 490 HD3 0.01 0.05 0.01 -0.04 3.22 3.26 3mtfB1 ILE 491 H -0.07 0.55 -0.19 -0.55 8.25 7.99 3mtfB1 ILE 491 HA -0.04 0.04 0.36 -0.75 4.18 3.79 3mtfB1 ILE 491 HB -0.25 0.04 0.12 -0.04 1.89 1.76 3mtfB1 ILE 491 HG12 -0.04 0.00 -0.07 -0.04 1.49 1.34 3mtfB1 ILE 491 HG13 -0.06 -0.00 -0.09 -0.04 1.21 1.02 3mtfB1 ILE 491 HG23 -0.16 -0.01 -0.14 -0.04 0.93 0.59 3mtfB1 ILE 491 HD13 -0.16 -0.01 -0.23 -0.04 0.88 0.44 3mtfB1 LYS 492 H -0.09 0.60 -0.10 -0.55 8.42 8.27 3mtfB1 LYS 492 HA -0.04 -0.00 0.30 -0.75 4.32 3.82 3mtfB1 LYS 492 HB2 -0.07 0.02 -0.00 -0.04 1.87 1.78 3mtfB1 LYS 492 HB3 -0.04 0.09 0.15 -0.04 1.79 1.96 3mtfB1 LYS 492 HG2 -0.01 0.02 -0.24 -0.04 1.46 1.20 3mtfB1 LYS 492 HG3 -0.01 -0.04 -0.08 -0.04 1.46 1.29 3mtfB1 LYS 492 HD2 -0.01 -0.05 -0.07 -0.04 1.69 1.52 3mtfB1 LYS 492 HD3 -0.00 0.02 -0.05 -0.04 1.68 1.61 3mtfB1 LYS 492 HE2 0.02 0.03 -0.07 -0.04 2.99 2.93 3mtfB1 LYS 492 HE3 0.03 -0.04 -0.05 -0.04 2.99 2.89 3mtfB1 LYS 493 H -0.02 0.54 -0.14 -0.55 8.42 8.25 3mtfB1 LYS 493 HA -0.00 0.01 0.41 -0.75 4.32 3.99 3mtfB1 THR 494 H -0.01 0.63 -0.05 -0.55 8.28 8.30 3mtfB1 THR 494 HA -0.00 -0.01 0.41 -0.75 4.39 4.03 3mtfB1 THR 494 HB -0.01 0.09 0.16 -0.04 4.32 4.53 3mtfB1 THR 494 HG23 -0.00 -0.02 -0.06 -0.04 1.22 1.09 3mtfB1 LEU 495 H -0.01 0.65 -0.17 -0.55 8.37 8.29 3mtfB1 LEU 495 HA -0.01 -0.05 0.30 -0.75 4.35 3.84 3mtfB1 LEU 495 HB2 0.01 0.12 0.10 -0.04 1.64 1.82 3mtfB1 LEU 495 HB3 0.01 -0.07 -0.02 -0.04 1.64 1.52 3mtfB1 LEU 495 HG 0.03 0.09 -0.00 -0.04 1.64 1.72 3mtfB1 LEU 495 HD13 0.13 -0.05 -0.24 -0.04 0.93 0.74 3mtfB1 LEU 495 HD23 0.01 -0.03 -0.06 -0.04 0.89 0.77 3mtfB1 THR 496 H -0.00 0.49 -0.15 -0.55 8.28 8.07 3mtfB1 THR 496 HA -0.00 -0.00 0.51 -0.75 4.39 4.14 3mtfB1 THR 496 HB -0.00 0.09 0.15 -0.04 4.32 4.52 3mtfB1 THR 496 HG23 0.00 -0.03 -0.05 -0.04 1.22 1.11 3mtfB1 LYS 497 H -0.00 0.41 -0.25 -0.55 8.42 8.03 3mtfB1 LYS 497 HA -0.00 0.01 0.51 -0.75 4.32 4.08 3mtfB1 LYS 497 HB2 -0.00 0.17 0.21 -0.04 1.87 2.21 3mtfB1 LYS 497 HB3 -0.00 -0.11 0.03 -0.04 1.79 1.66 3mtfB1 LYS 497 HG2 0.00 -0.05 -0.01 -0.04 1.46 1.36 3mtfB1 LYS 497 HG3 0.00 0.08 -0.01 -0.04 1.46 1.49 3mtfB1 LYS 497 HD2 0.00 -0.02 -0.02 -0.04 1.69 1.61 3mtfB1 LYS 497 HD3 0.00 -0.05 -0.03 -0.04 1.68 1.56 3mtfB1 LYS 497 HE2 0.00 0.02 -0.14 -0.04 2.99 2.83 3mtfB1 LYS 497 HE3 0.00 -0.01 -0.15 -0.04 2.99 2.79 3mtfB1 ILE 498 H -0.01 0.32 -0.08 -0.55 8.25 7.93 3mtfB1 ILE 498 HA -0.01 -0.07 0.29 -0.75 4.18 3.63 3mtfB1 ILE 498 HB -0.02 0.14 0.07 -0.04 1.89 2.04 3mtfB1 ILE 498 HG12 -0.02 0.10 -0.07 -0.04 1.49 1.46 3mtfB1 ILE 498 HG13 -0.03 -0.06 -0.06 -0.04 1.21 1.02 3mtfB1 ILE 498 HG23 -0.04 -0.08 -0.10 -0.04 0.93 0.68 3mtfB1 ILE 498 HD13 -0.01 -0.02 -0.04 -0.04 0.88 0.77 3mtfB1 ASP 499 H -0.02 0.09 0.09 -0.55 8.40 8.02 3mtfB1 ASP 499 HA -0.02 0.29 0.67 -0.75 4.63 4.82 3mtfB1 ASP 499 HB2 -0.01 -0.04 0.11 -0.04 2.71 2.72 3mtfB1 ASP 499 HB3 -0.02 -0.05 0.09 -0.04 2.70 2.68