============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TYR 5 0.840 44.074 25.156 42.034 -99.200 -91.000 TYR 6 0.840 38.042 18.375 41.485 -99.200 -91.000 HIS 21 0.900 25.466 28.446 17.535 -99.200 -91.000 PHE 37 1.000 29.826 21.082 36.141 -99.200 -91.000 TRP 40 1.040 25.782 24.518 44.417 -99.200 -91.000 TRP6 40 1.020 25.920 26.678 45.394 -99.200 -91.000 PHE 43 1.000 24.024 24.049 38.268 -99.200 -91.000 TYR 48 0.840 25.146 30.318 26.539 -99.200 -91.000 PHE 57 1.000 19.387 14.951 49.755 -99.200 -91.000 PHE 66 1.000 20.587 24.757 34.614 -99.200 -91.000 HIS 71 0.900 12.314 16.663 31.583 -99.200 -91.000 TYR 73 0.840 15.373 7.047 35.573 -99.200 -91.000 TYR 77 0.840 11.080 8.457 41.375 -99.200 -91.000 HIS 88 0.900 11.815 20.490 45.368 -99.200 -91.000 PHE 94 1.000 6.511 7.536 38.102 -99.200 -91.000 PHE 103 1.000 6.218 5.681 44.333 -99.200 -91.000 TRP 124 1.040 11.151 -6.871 27.466 -99.200 -91.000 TRP6 124 1.020 10.125 -6.967 29.603 -99.200 -91.000 PHE 138 1.000 6.714 5.764 25.824 -99.200 -91.000 HIS 140 0.900 18.740 7.835 29.114 -99.200 -91.000 PHE 146 1.000 24.430 11.596 12.379 -99.200 -91.000 PHE 149 1.000 21.151 10.155 17.963 -99.200 -91.000 PHE 159 1.000 10.395 0.222 22.932 -99.200 -91.000 TRP 168 1.040 6.757 14.450 27.617 -99.200 -91.000 TRP6 168 1.020 8.259 13.301 29.018 -99.200 -91.000 HIS 176 0.900 31.400 11.814 23.108 -99.200 -91.000 PHE 177 1.000 24.732 17.523 22.006 -99.200 -91.000 TYR 182 0.840 28.250 14.382 16.801 -99.200 -91.000 PHE 187 1.000 22.466 15.102 17.435 -99.200 -91.000 PHE 194 1.000 12.234 9.870 17.400 -99.200 -91.000 TYR 198 0.840 8.075 8.113 15.339 -99.200 -91.000 TYR 203 0.840 12.119 17.800 27.079 -99.200 -91.000 TYR 226 0.840 64.140 3.960 37.019 -99.200 -91.000 HIS 241 0.900 41.469 14.125 45.750 -99.200 -91.000 TYR 247 0.840 33.580 3.175 35.124 -99.200 -91.000 HIS 260 0.900 63.402 14.663 30.877 -99.200 -91.000 TYR 262 0.840 59.628 12.110 35.983 -99.200 -91.000 PHE 274 1.000 46.014 11.281 39.803 -99.200 -91.000 PHE 277 1.000 49.623 11.007 32.262 -99.200 -91.000 PHE 279 1.000 55.056 15.507 32.838 -99.200 -91.000 PHE 291 1.000 46.730 14.395 36.903 -99.200 -91.000 TYR 297 0.840 29.384 10.934 34.606 -99.200 -91.000 TRP 303 1.040 36.008 14.294 53.376 -99.200 -91.000 TRP6 303 1.020 37.664 15.990 53.284 -99.200 -91.000 PHE 304 1.000 41.956 5.923 49.501 -99.200 -91.000 PHE 326 1.000 35.064 20.608 49.458 -99.200 -91.000 TYR 328 0.840 40.086 18.050 61.818 -99.200 -91.000 TYR 331 0.840 38.912 13.408 57.972 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3mt1A1 ILE 2 HA -0.16 -0.03 0.13 -0.75 4.18 3.36 3mt1A1 ILE 2 HB -0.11 -0.01 0.02 -0.04 1.89 1.76 3mt1A1 ILE 2 HG12 -0.04 -0.01 -0.14 -0.04 1.49 1.27 3mt1A1 ILE 2 HG13 -0.04 0.00 -0.02 -0.04 1.21 1.11 3mt1A1 ILE 2 HG23 -0.08 -0.01 0.03 -0.04 0.93 0.83 3mt1A1 ILE 2 HD13 -0.04 -0.00 -0.01 -0.04 0.88 0.78 3mt1A1 GLU 3 H -0.09 0.08 0.03 -0.55 8.60 8.07 3mt1A1 GLU 3 HA 0.03 -0.00 0.43 -0.75 4.29 3.99 3mt1A1 GLU 3 HB2 -0.02 -0.07 0.13 -0.04 2.09 2.09 3mt1A1 GLU 3 HB3 0.02 0.06 0.04 -0.04 1.99 2.06 3mt1A1 GLU 3 HG2 0.02 0.07 0.05 -0.04 2.34 2.44 3mt1A1 GLU 3 HG3 0.00 -0.05 0.02 -0.04 2.34 2.27 3mt1A1 THR 4 H 0.08 0.03 0.15 -0.55 8.28 8.00 3mt1A1 THR 4 HA 0.23 0.12 0.50 -0.75 4.39 4.48 3mt1A1 THR 4 HB -0.06 0.01 0.13 -0.04 4.32 4.36 3mt1A1 THR 4 HG23 -0.01 0.03 -0.21 -0.04 1.22 1.00 3mt1A1 PRO 5 HA -0.11 0.29 0.59 -0.51 4.44 4.70 3mt1A1 PRO 5 HB2 -0.26 -0.02 -0.00 -0.04 2.28 1.95 3mt1A1 PRO 5 HB3 -0.10 -0.05 0.14 -0.04 2.02 1.96 3mt1A1 PRO 5 HG2 -0.16 0.02 -0.13 -0.04 2.03 1.72 3mt1A1 PRO 5 HG3 -0.03 0.21 0.23 -0.04 2.03 2.40 3mt1A1 PRO 5 HD2 0.03 0.01 0.36 -0.04 3.68 4.04 3mt1A1 PRO 5 HD3 0.03 0.08 0.21 -0.04 3.65 3.92 3mt1A1 TYR 6 H -0.35 0.38 0.30 -0.55 8.29 8.06 3mt1A1 TYR 6 HA -0.14 0.07 0.54 -0.75 4.56 4.28 3mt1A1 TYR 6 HB2 -0.03 0.09 -0.08 -0.04 3.06 3.01 3mt1A1 TYR 6 HB3 -0.04 0.10 -0.00 -0.04 2.98 2.99 3mt1A1 TYR 6 HD2 -0.04 0.12 -0.51 -0.04 7.15 6.68 3mt1A1 TYR 6 HE2 -0.04 0.01 -0.27 -0.04 6.85 6.51 3mt1A1 TYR 7 H 0.13 0.62 0.24 -0.55 8.29 8.72 3mt1A1 TYR 7 HA -0.00 0.22 1.07 -0.75 4.56 5.09 3mt1A1 TYR 7 HB2 0.04 -0.07 0.19 -0.04 3.06 3.17 3mt1A1 TYR 7 HB3 0.04 -0.04 0.02 -0.04 2.98 2.97 3mt1A1 TYR 7 HD2 0.04 0.05 -0.05 -0.04 7.15 7.14 3mt1A1 TYR 7 HE2 -0.01 0.08 0.01 -0.04 6.85 6.89 3mt1A1 LEU 8 H 0.12 0.60 0.31 -0.55 8.37 8.85 3mt1A1 LEU 8 HA 0.15 0.33 0.94 -0.75 4.35 5.02 3mt1A1 LEU 8 HB2 0.20 0.05 -0.16 -0.04 1.64 1.69 3mt1A1 LEU 8 HB3 0.05 -0.10 0.12 -0.04 1.64 1.68 3mt1A1 LEU 8 HG 0.07 -0.03 -0.36 -0.04 1.64 1.27 3mt1A1 LEU 8 HD13 0.11 0.01 -0.36 -0.04 0.93 0.65 3mt1A1 LEU 8 HD23 0.10 -0.00 -0.12 -0.04 0.89 0.82 3mt1A1 ILE 9 H 0.08 0.75 0.38 -0.55 8.25 8.91 3mt1A1 ILE 9 HA 0.06 0.15 0.91 -0.75 4.18 4.54 3mt1A1 ILE 9 HB 0.06 -0.03 0.16 -0.04 1.89 2.04 3mt1A1 ILE 9 HG12 0.24 0.02 -0.06 -0.04 1.49 1.65 3mt1A1 ILE 9 HG13 0.14 -0.04 -0.13 -0.04 1.21 1.13 3mt1A1 ILE 9 HG23 0.06 -0.01 -0.24 -0.04 0.93 0.70 3mt1A1 ILE 9 HD13 0.07 0.02 -0.06 -0.04 0.88 0.87 3mt1A1 ASP 10 H 0.01 0.86 0.38 -0.55 8.40 9.11 3mt1A1 ASP 10 HA 0.01 0.13 1.02 -0.75 4.63 5.04 3mt1A1 ASP 10 HB2 0.01 0.07 0.13 -0.04 2.71 2.87 3mt1A1 ASP 10 HB3 -0.01 -0.01 0.31 -0.04 2.70 2.95 3mt1A1 LYS 11 H 0.01 0.68 0.28 -0.55 8.42 8.83 3mt1A1 LYS 11 HA 0.00 0.09 0.49 -0.75 4.32 4.16 3mt1A1 LYS 11 HB2 0.01 0.09 0.21 -0.04 1.87 2.14 3mt1A1 LYS 11 HB3 0.01 -0.00 0.02 -0.04 1.79 1.78 3mt1A1 LYS 11 HG2 0.02 0.04 0.05 -0.04 1.46 1.54 3mt1A1 LYS 11 HG3 0.01 0.04 0.01 -0.04 1.46 1.47 3mt1A1 LYS 11 HD2 0.02 -0.16 0.07 -0.04 1.69 1.57 3mt1A1 LYS 11 HD3 0.03 0.05 0.04 -0.04 1.68 1.76 3mt1A1 LYS 11 HE2 0.02 0.05 0.01 -0.04 2.99 3.03 3mt1A1 LYS 11 HE3 0.01 -0.05 -0.00 -0.04 2.99 2.90 3mt1A1 ALA 12 H -0.00 0.12 -0.20 -0.55 8.40 7.77 3mt1A1 ALA 12 HA -0.01 0.11 0.48 -0.75 4.34 4.16 3mt1A1 ALA 12 HB3 -0.01 0.02 0.05 -0.04 1.41 1.43 3mt1A1 LYS 13 H -0.02 0.06 -0.13 -0.55 8.42 7.77 3mt1A1 LYS 13 HA -0.04 0.05 0.50 -0.75 4.32 4.07 3mt1A1 LYS 13 HB2 -0.03 -0.01 0.30 -0.04 1.87 2.10 3mt1A1 LYS 13 HB3 -0.04 0.17 0.18 -0.04 1.79 2.05 3mt1A1 LYS 13 HG2 -0.03 0.03 0.11 -0.04 1.46 1.53 3mt1A1 LYS 13 HG3 -0.02 -0.12 0.05 -0.04 1.46 1.32 3mt1A1 LYS 13 HD2 -0.02 -0.04 0.07 -0.04 1.69 1.66 3mt1A1 LYS 13 HD3 -0.02 0.22 0.11 -0.04 1.68 1.94 3mt1A1 LYS 13 HE2 -0.02 -0.02 0.01 -0.04 2.99 2.92 3mt1A1 LYS 13 HE3 -0.01 -0.04 0.01 -0.04 2.99 2.90 3mt1A1 LEU 14 H -0.04 0.54 -0.01 -0.55 8.37 8.31 3mt1A1 LEU 14 HA -0.10 0.08 0.44 -0.75 4.35 4.02 3mt1A1 LEU 14 HB2 -0.05 0.00 0.08 -0.04 1.64 1.63 3mt1A1 LEU 14 HB3 -0.04 0.05 0.10 -0.04 1.64 1.71 3mt1A1 LEU 14 HG -0.07 0.07 -0.06 -0.04 1.64 1.53 3mt1A1 LEU 14 HD13 -0.21 -0.00 -0.03 -0.04 0.93 0.65 3mt1A1 LEU 14 HD23 0.02 -0.02 -0.06 -0.04 0.89 0.78 3mt1A1 THR 15 H -0.05 0.67 -0.07 -0.55 8.28 8.28 3mt1A1 THR 15 HA -0.19 0.03 0.52 -0.75 4.39 3.99 3mt1A1 THR 15 HB -0.03 0.10 0.24 -0.04 4.32 4.59 3mt1A1 THR 15 HG23 -0.01 -0.02 -0.03 -0.04 1.22 1.11 3mt1A1 ARG 16 H -0.06 0.47 -0.07 -0.55 8.46 8.24 3mt1A1 ARG 16 HA -0.05 -0.06 0.41 -0.75 4.34 3.89 3mt1A1 ARG 16 HB2 -0.03 -0.08 0.15 -0.04 1.90 1.89 3mt1A1 ARG 16 HB3 -0.05 0.17 0.19 -0.04 1.80 2.07 3mt1A1 ARG 16 HG2 -0.04 0.03 -0.17 -0.04 1.67 1.45 3mt1A1 ARG 16 HG3 -0.02 -0.08 0.03 -0.04 1.67 1.55 3mt1A1 ARG 16 HD2 -0.03 -0.06 -0.02 -0.04 3.22 3.06 3mt1A1 ARG 16 HD3 -0.03 -0.08 0.02 -0.04 3.22 3.09 3mt1A1 ASN 17 H -0.10 0.39 -0.26 -0.55 8.53 8.00 3mt1A1 ASN 17 HA -0.07 -0.04 0.34 -0.75 4.76 4.23 3mt1A1 ASN 17 HB2 -0.13 0.20 0.21 -0.04 2.88 3.12 3mt1A1 ASN 17 HB3 -0.12 -0.02 0.16 -0.04 2.79 2.77 3mt1A1 ASN 17 HD21 -0.12 0.37 -0.22 -0.04 7.03 7.02 3mt1A1 ASN 17 HD22 -0.15 0.16 -0.14 -0.04 7.74 7.57 3mt1A1 GLU 19 HA 0.06 -0.11 0.35 -0.75 4.29 3.84 3mt1A1 GLU 19 HB2 0.02 0.11 0.09 -0.04 2.09 2.27 3mt1A1 GLU 19 HB3 0.20 -0.11 0.04 -0.04 1.99 2.08 3mt1A1 GLU 19 HG2 -0.06 0.10 0.10 -0.04 2.34 2.44 3mt1A1 GLU 19 HG3 0.06 -0.07 0.01 -0.04 2.34 2.30 3mt1A1 ARG 20 H 0.00 0.50 -1.20 -0.55 8.46 7.20 3mt1A1 ARG 20 HA 0.17 -0.02 0.56 -0.75 4.34 4.29 3mt1A1 ARG 20 HB2 0.02 0.15 0.19 -0.04 1.90 2.22 3mt1A1 ARG 20 HB3 0.08 -0.06 0.09 -0.04 1.80 1.87 3mt1A1 ARG 20 HG2 0.02 -0.12 0.01 -0.04 1.67 1.53 3mt1A1 ARG 20 HG3 0.01 0.32 0.05 -0.04 1.67 2.00 3mt1A1 ARG 20 HD2 -0.02 0.06 -0.00 -0.04 3.22 3.21 3mt1A1 ARG 20 HD3 0.01 -0.05 -0.04 -0.04 3.22 3.09 3mt1A1 ILE 21 H 0.05 0.72 0.34 -0.55 8.25 8.80 3mt1A1 ILE 21 HA 0.20 -0.03 0.58 -0.75 4.18 4.17 3mt1A1 ILE 21 HB 0.06 0.11 0.04 -0.04 1.89 2.05 3mt1A1 ILE 21 HG12 0.38 -0.10 -0.06 -0.04 1.49 1.67 3mt1A1 ILE 21 HG13 0.20 -0.01 -0.04 -0.04 1.21 1.31 3mt1A1 ILE 21 HG23 0.12 0.02 -0.17 -0.04 0.93 0.86 3mt1A1 ILE 21 HD13 0.01 -0.00 -0.13 -0.04 0.88 0.71 3mt1A1 ALA 22 H 0.09 0.18 -0.22 -0.55 8.40 7.91 3mt1A1 ALA 22 HA 0.05 0.14 0.37 -0.75 4.34 4.15 3mt1A1 ALA 22 HB3 0.08 0.04 0.10 -0.04 1.41 1.59 3mt1A1 HIS 23 H 0.12 0.42 -0.29 -0.55 8.41 8.12 3mt1A1 HIS 23 HA 0.03 -0.00 0.43 -0.75 4.63 4.33 3mt1A1 HIS 23 HB2 0.04 0.16 0.21 -0.04 3.26 3.63 3mt1A1 HIS 23 HB3 0.03 -0.10 0.06 -0.04 3.20 3.14 3mt1A1 HIS 23 HD2 0.02 -0.06 0.02 -0.04 6.97 6.91 3mt1A1 HIS 23 HE1 0.04 -0.03 0.01 -0.04 7.75 7.72 3mt1A1 VAL 24 H 0.11 0.52 -0.08 -0.55 8.24 8.24 3mt1A1 VAL 24 HA 0.04 -0.07 0.28 -0.75 4.13 3.62 3mt1A1 VAL 24 HB -0.07 0.14 0.15 -0.04 2.12 2.31 3mt1A1 VAL 24 HG13 -0.25 -0.03 -0.13 -0.04 0.97 0.52 3mt1A1 VAL 24 HG23 0.06 0.02 0.06 -0.04 0.95 1.05 3mt1A1 ARG 25 H 0.01 0.65 -0.21 -0.55 8.46 8.35 3mt1A1 ARG 25 HA -0.04 0.07 0.40 -0.75 4.34 4.01 3mt1A1 ARG 25 HB2 0.00 0.12 0.17 -0.04 1.90 2.15 3mt1A1 ARG 25 HB3 -0.01 -0.02 0.02 -0.04 1.80 1.74 3mt1A1 ARG 25 HG2 -0.02 0.04 0.08 -0.04 1.67 1.74 3mt1A1 ARG 25 HG3 0.01 -0.02 0.01 -0.04 1.67 1.63 3mt1A1 ARG 25 HD2 0.05 -0.10 0.21 -0.04 3.22 3.34 3mt1A1 ARG 25 HD3 0.06 0.10 -0.04 -0.04 3.22 3.30 3mt1A1 GLU 26 H -0.01 0.52 -0.07 -0.55 8.60 8.49 3mt1A1 GLU 26 HA -0.01 0.06 0.49 -0.75 4.29 4.08 3mt1A1 GLU 26 HB2 -0.02 0.08 0.20 -0.04 2.09 2.31 3mt1A1 GLU 26 HB3 -0.00 -0.09 0.04 -0.04 1.99 1.90 3mt1A1 GLU 26 HG2 -0.02 -0.05 0.04 -0.04 2.34 2.26 3mt1A1 GLU 26 HG3 -0.03 0.04 0.01 -0.04 2.34 2.32 3mt1A1 LYS 27 H 0.02 0.72 0.04 -0.55 8.42 8.65 3mt1A1 LYS 27 HA 0.01 -0.01 0.39 -0.75 4.32 3.96 3mt1A1 LYS 27 HB2 0.03 0.08 0.06 -0.04 1.87 2.00 3mt1A1 LYS 27 HB3 0.02 -0.11 -0.00 -0.04 1.79 1.66 3mt1A1 LYS 27 HG2 0.04 -0.06 0.02 -0.04 1.46 1.42 3mt1A1 LYS 27 HG3 0.08 0.14 0.07 -0.04 1.46 1.70 3mt1A1 LYS 27 HD2 0.08 0.01 -0.17 -0.04 1.69 1.57 3mt1A1 LYS 27 HD3 0.04 -0.08 -0.07 -0.04 1.68 1.52 3mt1A1 LYS 27 HE2 0.02 -0.08 -0.03 -0.04 2.99 2.86 3mt1A1 LYS 27 HE3 0.04 -0.02 -0.01 -0.04 2.99 2.96 3mt1A1 SER 28 H -0.03 0.58 -0.18 -0.55 8.46 8.29 3mt1A1 SER 28 HA -0.06 0.09 0.63 -0.75 4.49 4.40 3mt1A1 SER 28 HB2 -0.16 -0.08 0.09 -0.04 3.95 3.76 3mt1A1 SER 28 HB3 -0.13 -0.06 0.12 -0.04 3.93 3.83 3mt1A1 GLY 29 H -0.03 0.45 -0.13 -0.55 8.43 8.17 3mt1A1 GLY 29 HA2 -0.02 0.02 0.37 -0.51 4.01 3.86 3mt1A1 GLY 29 HA3 -0.02 0.05 0.70 -0.51 4.01 4.24 3mt1A1 ALA 30 H -0.07 -0.06 -0.34 -0.55 8.40 7.39 3mt1A1 ALA 30 HA -0.09 0.16 0.59 -0.75 4.34 4.24 3mt1A1 ALA 30 HB3 -0.08 -0.02 -0.09 -0.04 1.41 1.18 3mt1A1 LYS 31 H -0.23 0.59 0.35 -0.55 8.42 8.58 3mt1A1 LYS 31 HA -0.07 0.18 0.93 -0.75 4.32 4.61 3mt1A1 LYS 31 HB2 -0.59 0.00 0.13 -0.04 1.87 1.37 3mt1A1 LYS 31 HB3 -0.06 0.01 -0.03 -0.04 1.79 1.67 3mt1A1 LYS 31 HG2 -0.07 0.03 -0.00 -0.04 1.46 1.38 3mt1A1 LYS 31 HG3 -0.17 0.06 -0.18 -0.04 1.46 1.13 3mt1A1 LYS 31 HD2 -0.30 -0.01 -0.04 -0.04 1.69 1.30 3mt1A1 LYS 31 HD3 -0.02 -0.02 -0.04 -0.04 1.68 1.55 3mt1A1 LYS 31 HE2 -0.00 0.00 -0.01 -0.04 2.99 2.94 3mt1A1 LYS 31 HE3 -0.05 0.04 -0.04 -0.04 2.99 2.90 3mt1A1 ALA 32 H 0.01 0.31 0.19 -0.55 8.40 8.36 3mt1A1 ALA 32 HA 0.06 0.14 0.93 -0.75 4.34 4.72 3mt1A1 ALA 32 HB3 0.08 0.01 -0.04 -0.04 1.41 1.41 3mt1A1 LEU 33 H 0.03 0.75 0.28 -0.55 8.37 8.89 3mt1A1 LEU 33 HA -0.10 0.33 0.76 -0.75 4.35 4.58 3mt1A1 LEU 33 HB2 -0.09 -0.10 -0.18 -0.04 1.64 1.23 3mt1A1 LEU 33 HB3 -0.19 -0.09 -0.52 -0.04 1.64 0.80 3mt1A1 LEU 33 HG 0.02 0.01 -0.34 -0.04 1.64 1.29 3mt1A1 LEU 33 HD13 -0.78 -0.01 -0.29 -0.04 0.93 -0.19 3mt1A1 LEU 33 HD23 -0.09 0.05 -0.49 -0.04 0.89 0.32 3mt1A1 LEU 34 H -0.29 0.67 0.33 -0.55 8.37 8.52 3mt1A1 LEU 34 HA -0.06 0.17 0.63 -0.75 4.35 4.34 3mt1A1 LEU 34 HB2 -0.13 0.08 0.09 -0.04 1.64 1.64 3mt1A1 LEU 34 HB3 -0.51 0.02 0.19 -0.04 1.64 1.30 3mt1A1 LEU 34 HG -0.02 -0.10 -0.46 -0.04 1.64 1.01 3mt1A1 LEU 34 HD13 0.05 -0.01 -0.01 -0.04 0.93 0.93 3mt1A1 LEU 34 HD23 0.11 0.01 -0.10 -0.04 0.89 0.87 3mt1A1 ALA 35 H -0.03 0.48 0.11 -0.55 8.40 8.41 3mt1A1 ALA 35 HA -0.00 0.16 0.69 -0.75 4.34 4.44 3mt1A1 ALA 35 HB3 0.03 -0.02 -0.01 -0.04 1.41 1.37 3mt1A1 LEU 36 H 0.00 0.55 0.27 -0.55 8.37 8.64 3mt1A1 LEU 36 HA 0.09 0.36 0.28 -0.75 4.35 4.32 3mt1A1 LEU 36 HB2 0.05 -0.09 0.06 -0.04 1.64 1.62 3mt1A1 LEU 36 HB3 0.11 -0.04 0.03 -0.04 1.64 1.70 3mt1A1 LEU 36 HG -0.07 0.12 0.04 -0.04 1.64 1.68 3mt1A1 LEU 36 HD13 0.03 -0.05 -0.05 -0.04 0.93 0.82 3mt1A1 LEU 36 HD23 0.08 0.02 -0.03 -0.04 0.89 0.92 3mt1A1 LYS 37 H 0.06 0.10 -0.27 -0.55 8.42 7.76 3mt1A1 LYS 37 HA 0.08 0.09 0.35 -0.75 4.32 4.08 3mt1A1 LYS 37 HB2 0.17 0.05 0.02 -0.04 1.87 2.07 3mt1A1 LYS 37 HB3 0.12 -0.07 0.01 -0.04 1.79 1.81 3mt1A1 LYS 37 HG2 0.12 -0.07 -0.11 -0.04 1.46 1.35 3mt1A1 LYS 37 HG3 0.30 0.03 -0.26 -0.04 1.46 1.49 3mt1A1 LYS 37 HD2 0.18 0.02 -0.08 -0.04 1.69 1.77 3mt1A1 LYS 37 HD3 0.15 -0.01 -0.10 -0.04 1.68 1.67 3mt1A1 LYS 37 HE2 0.16 0.02 -0.09 -0.04 2.99 3.04 3mt1A1 LYS 37 HE3 0.23 -0.03 -0.08 -0.04 2.99 3.08 3mt1A1 CYS 38 H -0.07 0.36 -0.44 -0.55 8.50 7.80 3mt1A1 CYS 38 HA -1.18 0.09 0.62 -0.75 4.58 3.36 3mt1A1 CYS 38 HB2 -0.51 -0.09 0.03 -0.04 2.97 2.36 3mt1A1 CYS 38 HB3 -0.18 0.28 0.15 -0.04 2.97 3.18 3mt1A1 PHE 39 H 0.06 0.34 -0.02 -0.55 8.34 8.17 3mt1A1 PHE 39 HA -0.07 0.12 0.84 -0.75 4.62 4.77 3mt1A1 PHE 39 HB2 -0.10 0.01 -0.32 -0.04 3.15 2.70 3mt1A1 PHE 39 HB3 -0.02 0.03 -0.04 -0.04 3.06 2.99 3mt1A1 PHE 39 HD2 0.08 0.19 -0.14 -0.04 7.28 7.37 3mt1A1 PHE 39 HE2 0.09 0.03 -0.10 -0.04 7.38 7.36 3mt1A1 PHE 39 HZ -0.01 -0.00 -0.07 -0.04 7.32 7.21 3mt1A1 ALA 40 H -0.47 0.13 0.09 -0.55 8.40 7.61 3mt1A1 ALA 40 HA 0.28 0.20 0.74 -0.75 4.34 4.81 3mt1A1 ALA 40 HB3 0.06 0.05 -0.02 -0.04 1.41 1.46 3mt1A1 THR 41 H -1.37 0.12 -0.03 -0.55 8.28 6.46 3mt1A1 THR 41 HA -0.48 0.09 0.60 -0.75 4.39 3.85 3mt1A1 THR 41 HB -0.75 0.02 0.14 -0.04 4.32 3.69 3mt1A1 THR 41 HG23 -0.33 -0.02 -0.08 -0.04 1.22 0.75 3mt1A1 TRP 42 H -0.69 0.23 0.22 -0.55 7.97 7.17 3mt1A1 TRP 42 HA -2.19 0.11 -0.15 -0.75 4.62 1.64 3mt1A1 TRP 42 HB2 -0.42 0.05 0.07 -0.04 3.23 2.89 3mt1A1 TRP 42 HB3 -0.55 0.08 0.02 -0.04 3.23 2.75 3mt1A1 TRP 42 HD1 -0.16 0.14 0.13 -0.04 7.22 7.28 3mt1A1 TRP 42 HE1 -0.08 -0.00 0.02 -0.04 10.20 10.10 3mt1A1 TRP 42 HE3 -0.12 0.01 -0.27 -0.04 7.59 7.17 3mt1A1 TRP 42 HZ2 -0.06 -0.01 -0.01 -0.04 7.44 7.32 3mt1A1 TRP 42 HZ3 -0.05 0.01 -0.04 -0.04 7.13 7.00 3mt1A1 TRP 42 HH2 -0.05 -0.00 -0.01 -0.04 7.19 7.09 3mt1A1 SER 43 H -0.79 0.06 -0.32 -0.55 8.46 6.86 3mt1A1 SER 43 HA -0.14 0.13 0.36 -0.75 4.49 4.08 3mt1A1 SER 43 HB2 -0.26 0.02 0.12 -0.04 3.95 3.78 3mt1A1 SER 43 HB3 -0.73 0.01 0.06 -0.04 3.93 3.22 3mt1A1 VAL 44 H -0.13 0.29 -0.57 -0.55 8.24 7.28 3mt1A1 VAL 44 HA 0.06 0.19 0.96 -0.75 4.13 4.59 3mt1A1 VAL 44 HB 0.12 -0.02 0.11 -0.04 2.12 2.29 3mt1A1 VAL 44 HG13 0.03 -0.03 -0.22 -0.04 0.97 0.71 3mt1A1 VAL 44 HG23 0.32 0.07 -0.15 -0.04 0.95 1.15 3mt1A1 PHE 45 H 0.14 0.42 -0.02 -0.55 8.34 8.33 3mt1A1 PHE 45 HA 0.06 0.10 0.53 -0.75 4.62 4.55 3mt1A1 PHE 45 HB2 0.14 0.10 0.16 -0.04 3.15 3.51 3mt1A1 PHE 45 HB3 -0.12 0.16 0.04 -0.04 3.06 3.10 3mt1A1 PHE 45 HD2 0.31 0.02 -0.30 -0.04 7.28 7.26 3mt1A1 PHE 45 HE2 0.32 -0.03 -0.23 -0.04 7.38 7.39 3mt1A1 PHE 45 HZ 0.18 -0.04 -0.13 -0.04 7.32 7.29 3mt1A1 ASP 46 H 0.15 0.05 -0.18 -0.55 8.40 7.87 3mt1A1 ASP 46 HA 0.00 0.12 0.33 -0.75 4.63 4.33 3mt1A1 ASP 46 HB2 0.03 -0.01 -0.01 -0.04 2.71 2.68 3mt1A1 ASP 46 HB3 0.06 0.01 0.06 -0.04 2.70 2.79 3mt1A1 LEU 47 H 0.09 0.07 -0.56 -0.55 8.37 7.42 3mt1A1 LEU 47 HA 0.08 0.05 0.46 -0.75 4.35 4.19 3mt1A1 LEU 47 HB2 0.07 -0.13 0.03 -0.04 1.64 1.57 3mt1A1 LEU 47 HB3 0.09 0.22 0.10 -0.04 1.64 2.01 3mt1A1 LEU 47 HG 0.15 -0.01 0.07 -0.04 1.64 1.80 3mt1A1 LEU 47 HD13 0.04 -0.03 0.04 -0.04 0.93 0.94 3mt1A1 LEU 47 HD23 0.05 0.02 -0.04 -0.04 0.89 0.88 3mt1A1 ARG 49 HA -0.29 -0.06 0.30 -0.75 4.34 3.53 3mt1A1 ARG 49 HB2 -0.39 -0.01 -0.00 -0.04 1.90 1.46 3mt1A1 ARG 49 HB3 -1.11 -0.00 0.08 -0.04 1.80 0.73 3mt1A1 ARG 49 HG2 -0.16 0.12 -0.18 -0.04 1.67 1.41 3mt1A1 ARG 49 HG3 -0.14 -0.09 -0.23 -0.04 1.67 1.17 3mt1A1 ARG 49 HD2 -0.18 -0.03 -0.19 -0.04 3.22 2.78 3mt1A1 ARG 49 HD3 -0.08 -0.12 -0.05 -0.04 3.22 2.93 3mt1A1 ASP 50 H -0.04 0.44 -0.28 -0.55 8.40 7.97 3mt1A1 ASP 50 HA -0.13 -0.00 0.44 -0.75 4.63 4.18 3mt1A1 ASP 50 HB2 -0.23 0.17 0.17 -0.04 2.71 2.79 3mt1A1 ASP 50 HB3 -0.41 -0.11 0.11 -0.04 2.70 2.25 3mt1A1 TYR 51 H 0.17 0.16 -0.47 -0.55 8.29 7.60 3mt1A1 TYR 51 HA -0.00 0.22 0.85 -0.75 4.56 4.88 3mt1A1 TYR 51 HB2 0.03 0.05 -0.06 -0.04 3.06 3.04 3mt1A1 TYR 51 HB3 0.02 -0.11 -0.01 -0.04 2.98 2.83 3mt1A1 TYR 51 HD2 -0.01 0.04 -0.01 -0.04 7.15 7.13 3mt1A1 TYR 51 HE2 -0.00 -0.05 0.03 -0.04 6.85 6.79 3mt1A1 ASP 53 HA 0.07 -0.05 0.22 -0.75 4.63 4.12 3mt1A1 ASP 53 HB2 0.04 -0.03 -0.09 -0.04 2.71 2.59 3mt1A1 ASP 53 HB3 0.06 -0.07 0.04 -0.04 2.70 2.69 3mt1A1 GLY 54 H 0.03 0.38 0.31 -0.55 8.43 8.60 3mt1A1 GLY 54 HA2 0.05 0.14 0.33 -0.51 4.01 4.01 3mt1A1 GLY 54 HA3 -0.07 0.29 0.90 -0.51 4.01 4.62 3mt1A1 THR 55 H -0.23 0.65 0.40 -0.55 8.28 8.55 3mt1A1 THR 55 HA -0.38 0.10 1.08 -0.75 4.39 4.43 3mt1A1 THR 55 HB -0.27 -0.04 0.11 -0.04 4.32 4.08 3mt1A1 THR 55 HG23 -1.15 -0.01 -0.14 -0.04 1.22 -0.11 3mt1A1 THR 56 H -0.12 0.74 0.21 -0.55 8.28 8.56 3mt1A1 THR 56 HA -0.01 0.22 0.90 -0.75 4.39 4.75 3mt1A1 THR 56 HB -0.07 0.07 -0.21 -0.04 4.32 4.07 3mt1A1 THR 56 HG23 0.02 -0.01 -0.23 -0.04 1.22 0.95 3mt1A1 SER 57 H 0.07 0.46 0.15 -0.55 8.46 8.59 3mt1A1 SER 57 HA 0.06 0.08 0.86 -0.75 4.49 4.74 3mt1A1 SER 57 HB2 0.06 0.21 0.11 -0.04 3.95 4.29 3mt1A1 SER 57 HB3 0.06 -0.23 0.03 -0.04 3.93 3.74 3mt1A1 SER 58 H 0.07 0.06 0.13 -0.55 8.46 8.18 3mt1A1 SER 58 HA 0.05 0.58 0.80 -0.75 4.49 5.17 3mt1A1 SER 58 HB2 0.09 -0.06 0.10 -0.04 3.95 4.04 3mt1A1 SER 58 HB3 0.20 0.06 -0.25 -0.04 3.93 3.89 3mt1A1 SER 59 H 0.04 0.24 0.20 -0.55 8.46 8.40 3mt1A1 SER 59 HA -0.05 0.15 0.33 -0.75 4.49 4.18 3mt1A1 SER 59 HB2 -0.06 -0.03 0.20 -0.04 3.95 4.02 3mt1A1 SER 59 HB3 -0.01 0.30 0.05 -0.04 3.93 4.23 3mt1A1 LEU 60 H -0.07 0.20 0.14 -0.55 8.37 8.10 3mt1A1 LEU 60 HA 0.07 0.16 0.39 -0.75 4.35 4.22 3mt1A1 LEU 60 HB2 -0.02 0.02 0.10 -0.04 1.64 1.70 3mt1A1 LEU 60 HB3 -0.18 -0.04 0.15 -0.04 1.64 1.52 3mt1A1 LEU 60 HG 0.24 0.02 -0.25 -0.04 1.64 1.61 3mt1A1 LEU 60 HD13 0.15 0.02 -0.12 -0.04 0.93 0.94 3mt1A1 LEU 60 HD23 0.04 0.01 -0.01 -0.04 0.89 0.89 3mt1A1 PHE 61 H -0.01 0.10 -0.05 -0.55 8.34 7.83 3mt1A1 PHE 61 HA -0.01 0.12 0.37 -0.75 4.62 4.34 3mt1A1 PHE 61 HB2 0.02 -0.03 0.07 -0.04 3.15 3.17 3mt1A1 PHE 61 HB3 0.01 0.10 0.01 -0.04 3.06 3.14 3mt1A1 PHE 61 HD2 0.01 0.00 -0.08 -0.04 7.28 7.17 3mt1A1 PHE 61 HE2 0.02 0.04 -0.02 -0.04 7.38 7.37 3mt1A1 PHE 61 HZ 0.02 0.03 -0.01 -0.04 7.32 7.31 3mt1A1 GLU 62 H 0.14 0.01 -0.39 -0.55 8.60 7.81 3mt1A1 GLU 62 HA 0.10 0.14 0.40 -0.75 4.29 4.17 3mt1A1 GLU 62 HB2 0.07 -0.13 0.11 -0.04 2.09 2.11 3mt1A1 GLU 62 HB3 0.07 0.05 -0.04 -0.04 1.99 2.03 3mt1A1 GLU 62 HG2 0.10 0.12 -0.08 -0.04 2.34 2.44 3mt1A1 GLU 62 HG3 0.10 -0.03 -0.08 -0.04 2.34 2.30 3mt1A1 VAL 63 H 0.07 0.43 -0.05 -0.55 8.24 8.13 3mt1A1 VAL 63 HA 0.02 0.09 0.38 -0.75 4.13 3.87 3mt1A1 VAL 63 HB 0.06 -0.11 0.05 -0.04 2.12 2.08 3mt1A1 VAL 63 HG13 0.09 0.02 0.01 -0.04 0.97 1.05 3mt1A1 VAL 63 HG23 0.05 0.05 -0.20 -0.04 0.95 0.82 3mt1A1 ARG 64 H -0.00 0.44 -0.22 -0.55 8.46 8.12 3mt1A1 ARG 64 HA -0.58 0.12 0.44 -0.75 4.34 3.57 3mt1A1 ARG 64 HB2 -0.24 0.00 0.03 -0.04 1.90 1.66 3mt1A1 ARG 64 HB3 -0.05 0.03 0.12 -0.04 1.80 1.86 3mt1A1 ARG 64 HG2 -0.19 0.00 -0.23 -0.04 1.67 1.21 3mt1A1 ARG 64 HG3 -0.38 0.01 -0.03 -0.04 1.67 1.23 3mt1A1 ARG 64 HD2 0.01 0.01 -0.04 -0.04 3.22 3.15 3mt1A1 ARG 64 HD3 -0.05 -0.05 -0.05 -0.04 3.22 3.03 3mt1A1 LEU 65 H -0.03 0.55 -0.02 -0.55 8.37 8.32 3mt1A1 LEU 65 HA -0.11 0.00 0.45 -0.75 4.35 3.94 3mt1A1 LEU 65 HB2 -0.02 0.02 0.14 -0.04 1.64 1.74 3mt1A1 LEU 65 HB3 0.07 0.06 0.15 -0.04 1.64 1.88 3mt1A1 LEU 65 HG 0.25 0.00 -0.14 -0.04 1.64 1.71 3mt1A1 LEU 65 HD13 -0.23 -0.02 0.04 -0.04 0.93 0.68 3mt1A1 LEU 65 HD23 0.22 0.01 0.01 -0.04 0.89 1.09 3mt1A1 GLY 66 H 0.01 0.51 -0.33 -0.55 8.43 8.08 3mt1A1 GLY 66 HA2 0.05 -0.02 0.36 -0.51 4.01 3.89 3mt1A1 GLY 66 HA3 -0.02 0.07 0.28 -0.51 4.01 3.83 3mt1A1 ARG 67 H -0.04 0.48 -0.09 -0.55 8.46 8.26 3mt1A1 ARG 67 HA 0.04 0.08 0.48 -0.75 4.34 4.17 3mt1A1 ARG 67 HB2 0.05 0.18 0.19 -0.04 1.90 2.27 3mt1A1 ARG 67 HB3 -0.10 -0.01 0.23 -0.04 1.80 1.88 3mt1A1 ARG 67 HG2 0.21 -0.02 0.04 -0.04 1.67 1.86 3mt1A1 ARG 67 HG3 0.05 -0.06 -0.22 -0.04 1.67 1.39 3mt1A1 ARG 67 HD2 0.06 -0.06 0.03 -0.04 3.22 3.21 3mt1A1 ARG 67 HD3 0.05 -0.06 0.13 -0.04 3.22 3.29 3mt1A1 GLU 68 H -0.06 0.51 -0.12 -0.55 8.60 8.38 3mt1A1 GLU 68 HA -0.02 0.11 0.43 -0.75 4.29 4.05 3mt1A1 GLU 68 HB2 -0.14 0.02 0.07 -0.04 2.09 2.01 3mt1A1 GLU 68 HB3 -0.11 -0.07 0.04 -0.04 1.99 1.80 3mt1A1 GLU 68 HG2 -0.04 -0.01 -0.03 -0.04 2.34 2.22 3mt1A1 GLU 68 HG3 -0.12 0.06 0.00 -0.04 2.34 2.24 3mt1A1 ARG 69 H 0.08 0.41 -0.06 -0.55 8.46 8.33 3mt1A1 ARG 69 HA 0.06 0.17 0.90 -0.75 4.34 4.71 3mt1A1 ARG 69 HB2 0.35 0.10 0.04 -0.04 1.90 2.35 3mt1A1 ARG 69 HB3 0.28 -0.06 0.05 -0.04 1.80 2.04 3mt1A1 ARG 69 HG2 -0.27 -0.04 -0.12 -0.04 1.67 1.20 3mt1A1 ARG 69 HG3 -0.66 -0.10 -0.01 -0.04 1.67 0.86 3mt1A1 ARG 69 HD2 -0.36 -0.04 -0.02 -0.04 3.22 2.75 3mt1A1 ARG 69 HD3 -0.22 0.18 -0.15 -0.04 3.22 2.99 3mt1A1 PHE 70 H 0.24 0.21 0.02 -0.55 8.34 8.26 3mt1A1 PHE 70 HA 0.06 0.15 0.95 -0.75 4.62 5.04 3mt1A1 PHE 70 HB2 -0.35 -0.17 0.00 -0.04 3.15 2.59 3mt1A1 PHE 70 HB3 -0.13 0.17 0.15 -0.04 3.06 3.22 3mt1A1 PHE 70 HD2 -1.03 0.06 -0.23 -0.04 7.28 6.04 3mt1A1 PHE 70 HE2 -0.19 -0.04 0.00 -0.04 7.38 7.12 3mt1A1 PHE 70 HZ -0.07 -0.02 0.05 -0.04 7.32 7.24 3mt1A1 GLY 71 H 0.17 0.55 0.21 -0.55 8.43 8.82 3mt1A1 GLY 71 HA2 0.08 0.09 0.36 -0.51 4.01 4.03 3mt1A1 GLY 71 HA3 0.08 -0.03 0.46 -0.51 4.01 4.01 3mt1A1 LYS 72 H 0.06 0.02 0.13 -0.55 8.42 8.09 3mt1A1 LYS 72 HA 0.05 -0.05 0.30 -0.75 4.32 3.87 3mt1A1 LYS 72 HB2 0.18 0.14 -0.02 -0.04 1.87 2.13 3mt1A1 LYS 72 HB3 0.08 0.05 0.16 -0.04 1.79 2.04 3mt1A1 LYS 72 HG2 0.04 -0.10 0.04 -0.04 1.46 1.41 3mt1A1 LYS 72 HG3 0.07 0.04 -0.16 -0.04 1.46 1.36 3mt1A1 LYS 72 HD2 0.12 0.09 -0.07 -0.04 1.69 1.79 3mt1A1 LYS 72 HD3 0.06 -0.04 -0.03 -0.04 1.68 1.63 3mt1A1 LYS 72 HE2 0.00 -0.13 -0.03 -0.04 2.99 2.80 3mt1A1 LYS 72 HE3 -0.02 -0.02 -0.09 -0.04 2.99 2.82 3mt1A1 GLU 73 H 0.05 0.62 0.38 -0.55 8.60 9.10 3mt1A1 GLU 73 HA 0.03 0.03 0.60 -0.75 4.29 4.20 3mt1A1 GLU 73 HB2 0.03 0.33 0.18 -0.04 2.09 2.59 3mt1A1 GLU 73 HB3 -0.00 -0.10 -0.14 -0.04 1.99 1.71 3mt1A1 GLU 73 HG2 0.03 -0.03 0.01 -0.04 2.34 2.30 3mt1A1 GLU 73 HG3 0.05 0.00 0.01 -0.04 2.34 2.36 3mt1A1 THR 74 H 0.03 0.14 0.22 -0.55 8.28 8.12 3mt1A1 THR 74 HA -0.03 0.19 1.01 -0.75 4.39 4.82 3mt1A1 THR 74 HB 0.02 -0.02 0.31 -0.04 4.32 4.59 3mt1A1 THR 74 HG23 0.02 -0.01 -0.10 -0.04 1.22 1.09 3mt1A1 HIS 75 H 0.03 0.65 0.29 -0.55 8.41 8.83 3mt1A1 HIS 75 HA -0.13 0.19 0.98 -0.75 4.63 4.92 3mt1A1 HIS 75 HB2 -0.10 -0.03 0.07 -0.04 3.26 3.17 3mt1A1 HIS 75 HB3 -0.09 -0.03 -0.11 -0.04 3.20 2.93 3mt1A1 HIS 75 HD2 -0.26 -0.10 -0.65 -0.04 6.97 5.92 3mt1A1 HIS 75 HE1 -1.90 0.02 -0.20 -0.04 7.75 5.63 3mt1A1 ALA 76 H -0.01 0.57 0.22 -0.55 8.40 8.64 3mt1A1 ALA 76 HA 0.08 0.01 0.84 -0.75 4.34 4.52 3mt1A1 ALA 76 HB3 0.00 0.02 -0.02 -0.04 1.41 1.37 3mt1A1 TYR 77 H 0.15 0.48 0.17 -0.55 8.29 8.53 3mt1A1 TYR 77 HA 0.05 0.29 0.83 -0.75 4.56 4.98 3mt1A1 TYR 77 HB2 0.04 0.02 -0.11 -0.04 3.06 2.97 3mt1A1 TYR 77 HB3 0.03 0.13 0.03 -0.04 2.98 3.12 3mt1A1 TYR 77 HD2 -0.00 0.03 -0.21 -0.04 7.15 6.94 3mt1A1 TYR 77 HE2 -0.01 -0.01 -0.25 -0.04 6.85 6.53 3mt1A1 SER 78 H -1.23 0.40 0.07 -0.55 8.46 7.16 3mt1A1 SER 78 HA -0.66 0.07 0.11 -0.75 4.49 3.26 3mt1A1 SER 78 HB2 -0.48 0.17 0.13 -0.04 3.95 3.72 3mt1A1 SER 78 HB3 -1.82 -0.04 -0.24 -0.04 3.93 1.79 3mt1A1 VAL 79 H -0.39 0.22 0.09 -0.55 8.24 7.60 3mt1A1 VAL 79 HA -0.14 0.05 0.53 -0.75 4.13 3.81 3mt1A1 VAL 79 HB -0.11 -0.00 0.12 -0.04 2.12 2.08 3mt1A1 VAL 79 HG13 -0.02 0.02 -0.06 -0.04 0.97 0.86 3mt1A1 VAL 79 HG23 0.06 0.01 0.05 -0.04 0.95 1.03 3mt1A1 ALA 80 H -0.38 0.14 -0.38 -0.55 8.40 7.23 3mt1A1 ALA 80 HA -0.06 0.02 0.50 -0.75 4.34 4.04 3mt1A1 ALA 80 HB3 -0.02 0.05 -0.08 -0.04 1.41 1.32 3mt1A1 TYR 81 H 0.18 0.16 0.09 -0.55 8.29 8.17 3mt1A1 TYR 81 HA -0.11 0.12 0.83 -0.75 4.56 4.64 3mt1A1 TYR 81 HB2 -0.49 0.02 -0.03 -0.04 3.06 2.52 3mt1A1 TYR 81 HB3 -0.42 0.04 -0.05 -0.04 2.98 2.51 3mt1A1 TYR 81 HD2 0.02 -0.06 -0.09 -0.04 7.15 6.98 3mt1A1 TYR 81 HE2 -0.22 0.04 -0.21 -0.04 6.85 6.42 3mt1A1 GLY 82 H 0.02 0.12 0.11 -0.55 8.43 8.13 3mt1A1 GLY 82 HA2 0.13 0.20 0.78 -0.51 4.01 4.61 3mt1A1 GLY 82 HA3 0.03 0.02 0.32 -0.51 4.01 3.87 3mt1A1 ASP 83 H 0.16 0.22 0.16 -0.55 8.40 8.40 3mt1A1 ASP 83 HA 0.26 0.15 0.47 -0.75 4.63 4.76 3mt1A1 ASP 83 HB2 0.09 -0.02 0.09 -0.04 2.71 2.84 3mt1A1 ASP 83 HB3 0.13 0.08 0.07 -0.04 2.70 2.94 3mt1A1 ASN 84 H 0.04 0.06 -0.13 -0.55 8.53 7.96 3mt1A1 ASN 84 HA 0.02 0.15 0.33 -0.75 4.76 4.52 3mt1A1 ASN 84 HB2 0.02 0.07 0.11 -0.04 2.88 3.04 3mt1A1 ASN 84 HB3 0.02 -0.00 0.09 -0.04 2.79 2.86 3mt1A1 ASN 84 HD21 -0.01 0.01 -0.04 -0.04 7.03 6.94 3mt1A1 ASN 84 HD22 0.01 0.04 -0.01 -0.04 7.74 7.74 3mt1A1 GLU 85 H -0.03 0.28 -0.62 -0.55 8.60 7.69 3mt1A1 GLU 85 HA -0.01 0.27 0.94 -0.75 4.29 4.74 3mt1A1 GLU 85 HB2 -0.02 -0.02 0.06 -0.04 2.09 2.07 3mt1A1 GLU 85 HB3 -0.03 0.01 -0.15 -0.04 1.99 1.78 3mt1A1 GLU 85 HG2 -0.02 -0.08 0.05 -0.04 2.34 2.25 3mt1A1 GLU 85 HG3 -0.03 0.12 -0.24 -0.04 2.34 2.15 3mt1A1 ILE 86 H -0.09 0.27 -0.01 -0.55 8.25 7.87 3mt1A1 ILE 86 HA -0.26 0.01 0.19 -0.75 4.18 3.37 3mt1A1 ILE 86 HB -0.69 0.01 0.01 -0.04 1.89 1.18 3mt1A1 ILE 86 HG12 -0.37 0.03 -0.06 -0.04 1.49 1.05 3mt1A1 ILE 86 HG13 -0.17 0.07 -0.23 -0.04 1.21 0.84 3mt1A1 ILE 86 HG23 -0.02 0.03 0.10 -0.04 0.93 1.00 3mt1A1 ILE 86 HD13 -0.59 -0.01 -0.05 -0.04 0.88 0.18 3mt1A1 ASP 87 H -0.05 0.12 -0.21 -0.55 8.40 7.71 3mt1A1 ASP 87 HA -0.05 0.20 0.40 -0.75 4.63 4.41 3mt1A1 ASP 87 HB2 -0.02 -0.06 0.03 -0.04 2.71 2.62 3mt1A1 ASP 87 HB3 -0.03 0.07 -0.01 -0.04 2.70 2.69 3mt1A1 GLU 88 H -0.03 0.09 -0.15 -0.55 8.60 7.96 3mt1A1 GLU 88 HA -0.12 0.11 0.46 -0.75 4.29 3.98 3mt1A1 GLU 88 HB2 0.01 -0.03 0.09 -0.04 2.09 2.12 3mt1A1 GLU 88 HB3 0.05 0.01 0.02 -0.04 1.99 2.04 3mt1A1 GLU 88 HG2 0.05 0.04 0.01 -0.04 2.34 2.40 3mt1A1 GLU 88 HG3 -0.01 0.02 0.02 -0.04 2.34 2.34 3mt1A1 VAL 89 H -0.05 0.33 -0.34 -0.55 8.24 7.63 3mt1A1 VAL 89 HA 0.07 -0.00 0.35 -0.75 4.13 3.79 3mt1A1 VAL 89 HB -0.19 0.13 0.07 -0.04 2.12 2.10 3mt1A1 VAL 89 HG13 -0.12 0.00 -0.22 -0.04 0.97 0.59 3mt1A1 VAL 89 HG23 0.03 -0.01 -0.08 -0.04 0.95 0.86 3mt1A1 VAL 90 H -0.11 0.45 -0.12 -0.55 8.24 7.90 3mt1A1 VAL 90 HA -0.09 0.01 0.25 -0.75 4.13 3.55 3mt1A1 VAL 90 HB -0.07 0.03 0.20 -0.04 2.12 2.24 3mt1A1 VAL 90 HG13 -0.04 0.07 -0.11 -0.04 0.97 0.85 3mt1A1 VAL 90 HG23 -0.09 0.03 -0.10 -0.04 0.95 0.76 3mt1A1 SER 91 H -0.13 0.49 -0.12 -0.55 8.46 8.14 3mt1A1 SER 91 HA -0.10 0.07 0.36 -0.75 4.49 4.06 3mt1A1 SER 91 HB2 -0.19 -0.06 0.08 -0.04 3.95 3.75 3mt1A1 SER 91 HB3 -0.14 -0.04 0.08 -0.04 3.93 3.79 3mt1A1 HIS 92 H -0.08 0.35 -0.57 -0.55 8.41 7.57 3mt1A1 HIS 92 HA -0.01 0.14 0.79 -0.75 4.63 4.80 3mt1A1 HIS 92 HB2 -0.00 0.02 -0.04 -0.04 3.26 3.20 3mt1A1 HIS 92 HB3 0.00 -0.03 -0.02 -0.04 3.20 3.12 3mt1A1 HIS 92 HD2 0.02 -0.06 -0.12 -0.04 6.97 6.76 3mt1A1 HIS 92 HE1 -0.00 -0.04 -0.05 -0.04 7.75 7.61 3mt1A1 ALA 93 H -0.00 0.36 -0.08 -0.55 8.40 8.13 3mt1A1 ALA 93 HA 0.01 0.09 0.67 -0.75 4.34 4.37 3mt1A1 ALA 93 HB3 -0.04 -0.01 -0.05 -0.04 1.41 1.27 3mt1A1 ASP 94 H -0.03 0.50 0.40 -0.55 8.40 8.73 3mt1A1 ASP 94 HA -0.06 0.14 0.81 -0.75 4.63 4.76 3mt1A1 ASP 94 HB2 -0.07 -0.01 0.12 -0.04 2.71 2.70 3mt1A1 ASP 94 HB3 -0.09 -0.04 0.10 -0.04 2.70 2.63 3mt1A1 LYS 95 H -0.19 0.32 0.29 -0.55 8.42 8.28 3mt1A1 LYS 95 HA -0.20 0.51 0.87 -0.75 4.32 4.75 3mt1A1 LYS 95 HB2 -1.21 -0.11 -0.05 -0.04 1.87 0.46 3mt1A1 LYS 95 HB3 -0.65 -0.02 -0.17 -0.04 1.79 0.91 3mt1A1 LYS 95 HG2 -0.53 0.09 -0.11 -0.04 1.46 0.87 3mt1A1 LYS 95 HG3 -0.64 -0.07 -0.43 -0.04 1.46 0.28 3mt1A1 LYS 95 HD2 -2.14 -0.04 -0.20 -0.04 1.69 -0.73 3mt1A1 LYS 95 HD3 -2.84 -0.02 -0.21 -0.04 1.68 -1.44 3mt1A1 LYS 95 HE2 -1.17 0.01 -0.14 -0.04 2.99 1.66 3mt1A1 LYS 95 HE3 -1.29 0.01 -0.12 -0.04 2.99 1.55 3mt1A1 ILE 96 H -0.05 0.56 0.29 -0.55 8.25 8.49 3mt1A1 ILE 96 HA -0.13 0.20 1.01 -0.75 4.18 4.50 3mt1A1 ILE 96 HB -0.19 0.06 -0.22 -0.04 1.89 1.50 3mt1A1 ILE 96 HG12 -1.04 -0.05 -0.31 -0.04 1.49 0.04 3mt1A1 ILE 96 HG13 -0.39 -0.01 -0.08 -0.04 1.21 0.70 3mt1A1 ILE 96 HG23 -0.08 0.03 -0.02 -0.04 0.93 0.82 3mt1A1 ILE 96 HD13 -0.56 -0.02 -0.17 -0.04 0.88 0.10 3mt1A1 ILE 97 H -0.05 0.68 0.31 -0.55 8.25 8.64 3mt1A1 ILE 97 HA 0.08 0.12 0.88 -0.75 4.18 4.51 3mt1A1 ILE 97 HB 0.29 -0.01 0.02 -0.04 1.89 2.15 3mt1A1 ILE 97 HG12 0.33 0.00 -0.27 -0.04 1.49 1.51 3mt1A1 ILE 97 HG13 0.28 0.04 -0.63 -0.04 1.21 0.85 3mt1A1 ILE 97 HG23 0.24 -0.02 -0.43 -0.04 0.93 0.67 3mt1A1 ILE 97 HD13 0.17 0.02 -0.29 -0.04 0.88 0.73 3mt1A1 PHE 98 H 0.26 0.70 0.21 -0.55 8.34 8.96 3mt1A1 PHE 98 HA 0.27 0.13 0.91 -0.75 4.62 5.18 3mt1A1 PHE 98 HB2 0.15 0.11 0.14 -0.04 3.15 3.50 3mt1A1 PHE 98 HB3 0.19 -0.19 0.05 -0.04 3.06 3.07 3mt1A1 PHE 98 HD2 0.26 0.05 -0.04 -0.04 7.28 7.51 3mt1A1 PHE 98 HE2 0.03 0.02 -0.11 -0.04 7.38 7.28 3mt1A1 PHE 98 HZ 0.01 0.08 -0.22 -0.04 7.32 7.14 3mt1A1 ASN 99 H 0.23 0.19 0.19 -0.55 8.53 8.60 3mt1A1 ASN 99 HA 0.34 0.09 0.55 -0.75 4.76 4.98 3mt1A1 ASN 99 HB2 -0.02 0.08 0.17 -0.04 2.88 3.07 3mt1A1 ASN 99 HB3 0.08 0.07 0.21 -0.04 2.79 3.11 3mt1A1 ASN 99 HD21 0.07 0.10 0.14 -0.04 7.03 7.30 3mt1A1 ASN 99 HD22 0.06 0.08 0.09 -0.04 7.74 7.93 3mt1A1 SER 100 H 0.23 0.06 0.05 -0.55 8.46 8.25 3mt1A1 SER 100 HA 0.14 0.27 0.78 -0.75 4.49 4.93 3mt1A1 SER 100 HB2 0.10 -0.05 0.16 -0.04 3.95 4.13 3mt1A1 SER 100 HB3 0.11 0.19 -0.13 -0.04 3.93 4.06 3mt1A1 ILE 101 H 0.09 0.22 0.17 -0.55 8.25 8.18 3mt1A1 ILE 101 HA 0.02 0.19 0.49 -0.75 4.18 4.13 3mt1A1 ILE 101 HB 0.03 -0.04 0.09 -0.04 1.89 1.93 3mt1A1 ILE 101 HG12 0.07 -0.10 0.11 -0.04 1.49 1.52 3mt1A1 ILE 101 HG13 0.03 0.04 0.00 -0.04 1.21 1.24 3mt1A1 ILE 101 HG23 -0.01 0.04 -0.03 -0.04 0.93 0.88 3mt1A1 ILE 101 HD13 0.03 0.04 -0.03 -0.04 0.88 0.88 3mt1A1 SER 102 H 0.04 0.09 -0.02 -0.55 8.46 8.02 3mt1A1 SER 102 HA -0.04 0.14 0.34 -0.75 4.49 4.18 3mt1A1 SER 102 HB2 -0.02 0.07 -0.00 -0.04 3.95 3.95 3mt1A1 SER 102 HB3 0.00 0.06 0.09 -0.04 3.93 4.05 3mt1A1 GLN 103 H 0.05 0.01 -0.21 -0.55 8.47 7.77 3mt1A1 GLN 103 HA 0.01 0.08 0.46 -0.75 4.36 4.15 3mt1A1 GLN 103 HB2 0.20 -0.11 0.13 -0.04 2.15 2.32 3mt1A1 GLN 103 HB3 0.47 0.05 -0.02 -0.04 2.02 2.48 3mt1A1 GLN 103 HG2 0.15 -0.00 0.08 -0.04 2.40 2.58 3mt1A1 GLN 103 HG3 0.17 0.10 0.12 -0.04 2.39 2.74 3mt1A1 GLN 103 HE21 0.54 0.30 0.13 -0.04 6.97 7.91 3mt1A1 GLN 103 HE22 0.25 0.01 0.05 -0.04 7.69 7.95 3mt1A1 LEU 104 H -0.04 0.58 -0.10 -0.55 8.37 8.26 3mt1A1 LEU 104 HA -1.25 0.02 0.43 -0.75 4.35 2.80 3mt1A1 LEU 104 HB2 -0.04 0.01 0.12 -0.04 1.64 1.69 3mt1A1 LEU 104 HB3 -0.09 -0.04 0.27 -0.04 1.64 1.74 3mt1A1 LEU 104 HG -0.18 0.00 -0.29 -0.04 1.64 1.13 3mt1A1 LEU 104 HD13 -0.13 0.03 -0.02 -0.04 0.93 0.76 3mt1A1 LEU 104 HD23 -0.01 0.01 -0.04 -0.04 0.89 0.81 3mt1A1 GLU 105 H -0.15 0.96 -0.02 -0.55 8.60 8.85 3mt1A1 GLU 105 HA -0.14 0.03 0.32 -0.75 4.29 3.75 3mt1A1 GLU 105 HB2 -0.11 0.03 0.16 -0.04 2.09 2.14 3mt1A1 GLU 105 HB3 -0.10 -0.05 0.02 -0.04 1.99 1.83 3mt1A1 GLU 105 HG2 -0.07 0.02 0.02 -0.04 2.34 2.27 3mt1A1 GLU 105 HG3 -0.07 0.03 0.05 -0.04 2.34 2.31 3mt1A1 ARG 106 H -0.28 0.53 -0.13 -0.55 8.46 8.02 3mt1A1 ARG 106 HA -0.30 0.03 0.48 -0.75 4.34 3.79 3mt1A1 ARG 106 HB2 -0.35 -0.04 0.11 -0.04 1.90 1.57 3mt1A1 ARG 106 HB3 -0.67 0.02 0.18 -0.04 1.80 1.28 3mt1A1 ARG 106 HG2 -1.99 0.00 -0.16 -0.04 1.67 -0.52 3mt1A1 ARG 106 HG3 -0.50 -0.02 0.08 -0.04 1.67 1.19 3mt1A1 ARG 106 HD2 -0.42 -0.01 -0.01 -0.04 3.22 2.74 3mt1A1 ARG 106 HD3 -0.29 -0.08 -0.01 -0.04 3.22 2.80 3mt1A1 PHE 107 H -0.34 0.49 -0.24 -0.55 8.34 7.70 3mt1A1 PHE 107 HA -0.05 0.21 1.05 -0.75 4.62 5.08 3mt1A1 PHE 107 HB2 -0.03 0.09 -0.04 -0.04 3.15 3.12 3mt1A1 PHE 107 HB3 0.07 -0.05 0.04 -0.04 3.06 3.07 3mt1A1 PHE 107 HD2 0.11 0.05 -0.06 -0.04 7.28 7.34 3mt1A1 PHE 107 HE2 0.11 -0.08 -0.06 -0.04 7.38 7.31 3mt1A1 PHE 107 HZ 0.08 -0.03 -0.19 -0.04 7.32 7.13 3mt1A1 ALA 108 H -0.18 0.49 0.06 -0.55 8.40 8.22 3mt1A1 ALA 108 HA 0.04 0.06 0.28 -0.75 4.34 3.97 3mt1A1 ALA 108 HB3 -0.08 0.04 0.08 -0.04 1.41 1.40 3mt1A1 ASP 109 H -0.02 0.15 -0.21 -0.55 8.40 7.77 3mt1A1 ASP 109 HA 0.01 0.08 0.45 -0.75 4.63 4.42 3mt1A1 LYS 110 H 0.08 0.22 -0.30 -0.55 8.42 7.87 3mt1A1 LYS 110 HA 0.04 0.05 0.49 -0.75 4.32 4.14 3mt1A1 LYS 110 HB2 0.14 0.17 0.08 -0.04 1.87 2.23 3mt1A1 LYS 110 HB3 0.04 -0.06 0.01 -0.04 1.79 1.74 3mt1A1 LYS 110 HG2 0.10 -0.04 0.02 -0.04 1.46 1.50 3mt1A1 LYS 110 HG3 0.20 -0.06 0.03 -0.04 1.46 1.59 3mt1A1 LYS 110 HD2 0.05 -0.08 0.01 -0.04 1.69 1.62 3mt1A1 LYS 110 HD3 0.04 0.07 0.02 -0.04 1.68 1.77 3mt1A1 LYS 110 HE2 0.04 -0.03 -0.00 -0.04 2.99 2.96 3mt1A1 LYS 110 HE3 0.04 0.02 -0.03 -0.04 2.99 2.98 3mt1A1 ALA 111 H 0.09 0.32 -0.43 -0.55 8.40 7.83 3mt1A1 ALA 111 HA 0.03 0.14 0.60 -0.75 4.34 4.36 3mt1A1 ALA 111 HB3 0.17 -0.03 -0.01 -0.04 1.41 1.50 3mt1A1 ALA 112 H 0.04 0.16 -0.32 -0.55 8.40 7.74 3mt1A1 ALA 112 HA 0.03 0.02 0.63 -0.75 4.34 4.27 3mt1A1 ALA 112 HB3 0.02 -0.01 0.10 -0.04 1.41 1.48 3mt1A1 GLY 113 H 0.02 0.13 0.09 -0.55 8.43 8.12 3mt1A1 GLY 113 HA2 0.01 -0.08 0.32 -0.51 4.01 3.75 3mt1A1 GLY 113 HA3 0.00 0.20 0.77 -0.51 4.01 4.48 3mt1A1 ILE 114 H 0.02 0.45 -0.22 -0.55 8.25 7.95 3mt1A1 ILE 114 HA -0.01 0.12 0.93 -0.75 4.18 4.46 3mt1A1 ILE 114 HB -0.05 0.20 -0.12 -0.04 1.89 1.89 3mt1A1 ILE 114 HG12 -0.01 -0.03 -0.17 -0.04 1.49 1.25 3mt1A1 ILE 114 HG13 0.01 0.06 -0.15 -0.04 1.21 1.08 3mt1A1 ILE 114 HG23 -0.03 0.03 -0.17 -0.04 0.93 0.72 3mt1A1 ILE 114 HD13 -0.06 -0.02 -0.24 -0.04 0.88 0.52 3mt1A1 ALA 115 H -0.02 0.22 0.23 -0.55 8.40 8.28 3mt1A1 ALA 115 HA 0.11 0.01 0.55 -0.75 4.34 4.26 3mt1A1 ALA 115 HB3 0.10 0.00 0.11 -0.04 1.41 1.59 3mt1A1 ARG 116 H 0.18 0.14 0.32 -0.55 8.46 8.56 3mt1A1 ARG 116 HA 0.15 0.17 1.00 -0.75 4.34 4.90 3mt1A1 ARG 116 HB2 0.15 0.04 0.25 -0.04 1.90 2.30 3mt1A1 ARG 116 HB3 0.35 -0.06 0.13 -0.04 1.80 2.18 3mt1A1 ARG 116 HG2 0.20 -0.04 -0.04 -0.04 1.67 1.75 3mt1A1 ARG 116 HG3 0.11 0.21 0.01 -0.04 1.67 1.96 3mt1A1 ARG 116 HD2 0.15 -0.08 0.07 -0.04 3.22 3.31 3mt1A1 ARG 116 HD3 0.11 0.01 -0.12 -0.04 3.22 3.19 3mt1A1 GLY 117 H 0.18 0.64 0.52 -0.55 8.43 9.21 3mt1A1 GLY 117 HA2 -0.17 0.17 0.98 -0.51 4.01 4.48 3mt1A1 GLY 117 HA3 0.08 -0.02 0.20 -0.51 4.01 3.76 3mt1A1 LEU 118 H -0.04 0.56 0.37 -0.55 8.37 8.71 3mt1A1 LEU 118 HA 0.24 0.13 0.91 -0.75 4.35 4.88 3mt1A1 LEU 118 HB2 0.15 0.01 -0.12 -0.04 1.64 1.65 3mt1A1 LEU 118 HB3 0.26 0.06 0.04 -0.04 1.64 1.96 3mt1A1 LEU 118 HG 0.14 0.18 -0.17 -0.04 1.64 1.76 3mt1A1 LEU 118 HD13 0.19 0.01 -0.17 -0.04 0.93 0.92 3mt1A1 LEU 118 HD23 0.13 -0.02 -0.09 -0.04 0.89 0.87 3mt1A1 ARG 119 H 0.19 0.51 0.24 -0.55 8.46 8.85 3mt1A1 ARG 119 HA 0.04 0.14 0.86 -0.75 4.34 4.63 3mt1A1 ARG 119 HB2 0.05 -0.04 -0.02 -0.04 1.90 1.85 3mt1A1 ARG 119 HB3 0.12 -0.03 0.20 -0.04 1.80 2.06 3mt1A1 ARG 119 HG2 -0.03 0.07 -0.26 -0.04 1.67 1.41 3mt1A1 ARG 119 HG3 -0.15 0.09 0.04 -0.04 1.67 1.60 3mt1A1 ARG 119 HD2 -0.64 -0.04 -0.12 -0.04 3.22 2.39 3mt1A1 ARG 119 HD3 -0.02 -0.10 -0.12 -0.04 3.22 2.94 3mt1A1 LEU 120 H -0.06 0.27 0.28 -0.55 8.37 8.31 3mt1A1 LEU 120 HA -0.16 0.15 0.98 -0.75 4.35 4.57 3mt1A1 LEU 120 HB2 -0.44 0.02 0.07 -0.04 1.64 1.24 3mt1A1 LEU 120 HB3 -1.07 0.09 -0.03 -0.04 1.64 0.58 3mt1A1 LEU 120 HG -0.59 0.02 -0.12 -0.04 1.64 0.90 3mt1A1 LEU 120 HD13 -1.94 0.01 -0.12 -0.04 0.93 -1.16 3mt1A1 LEU 120 HD23 -0.38 0.01 -0.28 -0.04 0.89 0.20 3mt1A1 ASN 121 H 0.09 0.75 0.04 -0.55 8.53 8.87 3mt1A1 ASN 121 HA 0.10 0.19 0.89 -0.75 4.76 5.19 3mt1A1 ASN 121 HB2 0.08 0.38 0.01 -0.04 2.88 3.31 3mt1A1 ASN 121 HB3 0.18 -0.07 -0.16 -0.04 2.79 2.69 3mt1A1 ASN 121 HD21 -0.02 -0.10 -0.27 -0.04 7.03 6.60 3mt1A1 ASN 121 HD22 -0.03 0.09 -0.99 -0.04 7.74 6.77 3mt1A1 PRO 122 HA 0.20 0.22 0.68 -0.51 4.44 5.03 3mt1A1 PRO 122 HB2 0.05 0.00 0.04 -0.04 2.28 2.32 3mt1A1 PRO 122 HB3 0.24 0.02 -0.05 -0.04 2.02 2.19 3mt1A1 PRO 122 HG2 0.08 0.02 -0.13 -0.04 2.03 1.96 3mt1A1 PRO 122 HG3 0.14 0.05 -0.16 -0.04 2.03 2.02 3mt1A1 PRO 122 HD2 0.10 0.10 0.14 -0.04 3.68 3.98 3mt1A1 PRO 122 HD3 0.13 0.29 0.15 -0.04 3.65 4.19 3mt1A1 GLN 123 H 0.10 0.05 -0.44 -0.55 8.47 7.62 3mt1A1 GLN 123 HA 0.02 0.24 0.59 -0.75 4.36 4.46 3mt1A1 LEU 141 H -0.01 0.21 0.10 -0.55 8.37 8.13 3mt1A1 LEU 141 HA 0.05 0.12 0.97 -0.75 4.35 4.74 3mt1A1 LEU 141 HB2 0.03 0.02 -0.00 -0.04 1.64 1.65 3mt1A1 LEU 141 HB3 0.09 -0.04 -0.01 -0.04 1.64 1.63 3mt1A1 LEU 141 HG 0.03 -0.06 -0.20 -0.04 1.64 1.36 3mt1A1 LEU 141 HD13 0.04 -0.00 -0.06 -0.04 0.93 0.87 3mt1A1 LEU 141 HD23 0.06 0.02 -0.09 -0.04 0.89 0.84 3mt1A1 GLY 142 H 0.10 0.11 0.14 -0.55 8.43 8.23 3mt1A1 GLY 142 HA2 0.10 0.21 0.42 -0.51 4.01 4.23 3mt1A1 GLY 142 HA3 0.06 0.08 0.21 -0.51 4.01 3.85 3mt1A1 GLU 143 H 0.09 0.57 0.35 -0.55 8.60 9.07 3mt1A1 GLU 143 HA 0.45 0.07 0.76 -0.75 4.29 4.82 3mt1A1 GLU 143 HB2 0.03 0.12 0.10 -0.04 2.09 2.31 3mt1A1 GLU 143 HB3 0.09 -0.10 0.09 -0.04 1.99 2.03 3mt1A1 GLU 143 HG2 0.14 0.08 0.12 -0.04 2.34 2.64 3mt1A1 GLU 143 HG3 0.09 0.02 0.04 -0.04 2.34 2.45 3mt1A1 TRP 144 H 0.80 -0.15 0.25 -0.55 7.97 8.33 3mt1A1 TRP 144 HA 0.25 0.34 0.94 -0.75 4.62 5.40 3mt1A1 TRP 144 HB2 0.11 0.16 0.13 -0.04 3.23 3.60 3mt1A1 TRP 144 HB3 0.08 0.04 -0.04 -0.04 3.23 3.26 3mt1A1 TRP 144 HD1 0.03 0.08 -0.04 -0.04 7.22 7.25 3mt1A1 TRP 144 HE1 0.02 -0.02 -0.01 -0.04 10.20 10.15 3mt1A1 TRP 144 HE3 0.03 -0.12 0.28 -0.04 7.59 7.74 3mt1A1 TRP 144 HZ2 0.02 -0.00 0.02 -0.04 7.44 7.43 3mt1A1 TRP 144 HZ3 0.02 -0.03 0.09 -0.04 7.13 7.18 3mt1A1 TRP 144 HH2 0.01 -0.01 0.04 -0.04 7.19 7.20 3mt1A1 ASP 145 H -0.80 -0.14 0.18 -0.55 8.40 7.09 3mt1A1 ASP 145 HA -0.72 0.15 0.49 -0.75 4.63 3.79 3mt1A1 ASP 145 HB2 -2.05 -0.00 0.21 -0.04 2.71 0.82 3mt1A1 ASP 145 HB3 -0.61 -0.10 0.22 -0.04 2.70 2.16 3mt1A1 VAL 146 H -0.12 0.35 0.30 -0.55 8.24 8.22 3mt1A1 VAL 146 HA -0.01 0.08 0.35 -0.75 4.13 3.80 3mt1A1 VAL 146 HB -0.05 -0.02 0.21 -0.04 2.12 2.22 3mt1A1 VAL 146 HG13 0.00 -0.00 -0.07 -0.04 0.97 0.86 3mt1A1 VAL 146 HG23 0.09 0.05 0.16 -0.04 0.95 1.21 3mt1A1 PRO 147 HA -0.05 0.09 0.23 -0.51 4.44 4.20 3mt1A1 PRO 147 HB2 -0.10 -0.01 0.03 -0.04 2.28 2.15 3mt1A1 PRO 147 HB3 -0.06 0.06 0.06 -0.04 2.02 2.04 3mt1A1 PRO 147 HG2 -0.09 0.04 0.06 -0.04 2.03 2.00 3mt1A1 PRO 147 HG3 -0.06 0.08 0.08 -0.04 2.03 2.08 3mt1A1 PRO 147 HD2 -0.19 0.00 -0.01 -0.04 3.68 3.44 3mt1A1 PRO 147 HD3 -0.10 0.15 0.18 -0.04 3.65 3.84 3mt1A1 LYS 148 H -0.18 0.06 -0.31 -0.55 8.42 7.44 3mt1A1 LYS 148 HA -0.08 0.04 0.45 -0.75 4.32 3.97 3mt1A1 LYS 148 HB2 -0.21 -0.06 0.11 -0.04 1.87 1.67 3mt1A1 LYS 148 HB3 -0.21 0.09 0.11 -0.04 1.79 1.74 3mt1A1 LYS 148 HG2 -0.05 -0.04 -0.03 -0.04 1.46 1.29 3mt1A1 LYS 148 HG3 -0.05 0.02 0.08 -0.04 1.46 1.47 3mt1A1 LYS 148 HD2 -0.05 0.02 0.03 -0.04 1.69 1.65 3mt1A1 LYS 148 HD3 -0.13 -0.02 0.05 -0.04 1.68 1.54 3mt1A1 LYS 148 HE2 0.01 0.01 0.02 -0.04 2.99 2.99 3mt1A1 LYS 148 HE3 0.05 0.01 0.03 -0.04 2.99 3.04 3mt1A1 VAL 149 H -0.10 0.56 -0.06 -0.55 8.24 8.09 3mt1A1 VAL 149 HA -0.01 -0.04 0.42 -0.75 4.13 3.74 3mt1A1 VAL 149 HB -0.05 0.11 0.06 -0.04 2.12 2.20 3mt1A1 VAL 149 HG13 0.08 0.00 -0.13 -0.04 0.97 0.87 3mt1A1 VAL 149 HG23 -0.09 0.01 -0.11 -0.04 0.95 0.73 3mt1A1 GLU 150 H -0.02 0.46 -0.13 -0.55 8.60 8.36 3mt1A1 GLU 150 HA 0.02 0.06 0.35 -0.75 4.29 3.96 3mt1A1 GLU 150 HB2 -0.02 0.07 0.10 -0.04 2.09 2.19 3mt1A1 GLU 150 HB3 -0.01 0.00 -0.04 -0.04 1.99 1.90 3mt1A1 GLU 150 HG2 0.00 -0.01 0.00 -0.04 2.34 2.29 3mt1A1 GLU 150 HG3 0.01 0.03 0.03 -0.04 2.34 2.37 3mt1A1 ARG 151 H -0.02 0.27 -0.41 -0.55 8.46 7.74 3mt1A1 ARG 151 HA -0.01 0.04 0.41 -0.75 4.34 4.02 3mt1A1 ARG 151 HB2 -0.02 0.17 0.09 -0.04 1.90 2.10 3mt1A1 ARG 151 HB3 -0.02 -0.06 0.04 -0.04 1.80 1.71 3mt1A1 ARG 151 HG2 -0.02 -0.05 0.04 -0.04 1.67 1.59 3mt1A1 ARG 151 HG3 -0.02 0.00 0.01 -0.04 1.67 1.62 3mt1A1 ARG 151 HD2 -0.04 0.09 0.08 -0.04 3.22 3.31 3mt1A1 ARG 151 HD3 -0.03 -0.06 0.04 -0.04 3.22 3.13 3mt1A1 VAL 152 H -0.00 0.50 -0.32 -0.55 8.24 7.87 3mt1A1 VAL 152 HA -0.02 0.22 0.81 -0.75 4.13 4.39 3mt1A1 VAL 152 HB -0.02 -0.05 0.08 -0.04 2.12 2.09 3mt1A1 VAL 152 HG13 -0.02 -0.02 -0.11 -0.04 0.97 0.79 3mt1A1 VAL 152 HG23 0.02 0.04 0.09 -0.04 0.95 1.05 3mt1A1 ASP 154 HA -0.02 -0.03 0.34 -0.75 4.63 4.17 3mt1A1 ARG 155 H -0.03 0.81 1.70 -0.55 8.46 10.39 3mt1A1 ARG 155 HA -0.01 0.14 0.82 -0.75 4.34 4.54 3mt1A1 ARG 155 HB2 -0.02 0.02 0.08 -0.04 1.90 1.94 3mt1A1 ARG 155 HB3 -0.02 -0.11 0.10 -0.04 1.80 1.73 3mt1A1 ARG 155 HG2 -0.02 0.02 -0.27 -0.04 1.67 1.36 3mt1A1 ARG 155 HG3 -0.02 0.10 -0.26 -0.04 1.67 1.44 3mt1A1 ARG 155 HD2 -0.03 -0.01 -0.06 -0.04 3.22 3.08 3mt1A1 ARG 155 HD3 -0.04 -0.06 -0.05 -0.04 3.22 3.03 3mt1A1 ILE 156 H -0.05 0.25 0.09 -0.55 8.25 7.99 3mt1A1 ILE 156 HA 0.00 0.19 1.02 -0.75 4.18 4.64 3mt1A1 ILE 156 HB -0.17 -0.06 0.06 -0.04 1.89 1.68 3mt1A1 ILE 156 HG12 -0.08 -0.07 -0.10 -0.04 1.49 1.20 3mt1A1 ILE 156 HG13 -0.13 0.06 -0.07 -0.04 1.21 1.02 3mt1A1 ILE 156 HG23 0.05 -0.03 -0.32 -0.04 0.93 0.60 3mt1A1 ILE 156 HD13 -0.58 0.02 -0.21 -0.04 0.88 0.08 3mt1A1 ASN 157 H -0.16 0.54 0.46 -0.55 8.53 8.82 3mt1A1 ASN 157 HA -0.12 0.18 0.66 -0.75 4.76 4.74 3mt1A1 ASN 157 HB2 0.14 -0.07 0.11 -0.04 2.88 3.01 3mt1A1 ASN 157 HB3 0.42 0.03 0.06 -0.04 2.79 3.27 3mt1A1 ASN 157 HD21 0.14 0.00 0.07 -0.04 7.03 7.19 3mt1A1 ASN 157 HD22 0.03 0.09 0.16 -0.04 7.74 7.98 3mt1A1 GLY 158 H -0.70 0.12 0.33 -0.55 8.43 7.64 3mt1A1 GLY 158 HA2 -1.10 0.16 0.67 -0.51 4.01 3.23 3mt1A1 GLY 158 HA3 -2.84 0.04 0.33 -0.51 4.01 1.03 3mt1A1 PHE 159 H -0.61 0.55 0.27 -0.55 8.34 8.00 3mt1A1 PHE 159 HA -0.22 0.26 0.95 -0.75 4.62 4.85 3mt1A1 PHE 159 HB2 -0.13 0.04 0.03 -0.04 3.15 3.04 3mt1A1 PHE 159 HB3 -0.12 0.03 0.09 -0.04 3.06 3.02 3mt1A1 PHE 159 HD2 -0.15 0.08 -0.09 -0.04 7.28 7.08 3mt1A1 PHE 159 HE2 -0.12 0.01 -0.32 -0.04 7.38 6.91 3mt1A1 PHE 159 HZ -0.12 -0.01 -0.18 -0.04 7.32 6.97 3mt1A1 ILE 161 HA 0.07 0.01 0.42 -0.75 4.18 3.92 3mt1A1 ILE 161 HB 0.09 0.00 0.02 -0.04 1.89 1.97 3mt1A1 ILE 161 HG12 -0.13 -0.01 -0.07 -0.04 1.49 1.25 3mt1A1 ILE 161 HG13 -0.04 -0.15 0.07 -0.04 1.21 1.05 3mt1A1 ILE 161 HG23 0.11 0.02 -0.16 -0.04 0.93 0.86 3mt1A1 ILE 161 HD13 0.10 0.02 -0.28 -0.04 0.88 0.68 3mt1A1 HIS 162 H 0.16 0.21 0.18 -0.55 8.41 8.42 3mt1A1 HIS 162 HA 0.06 0.24 0.68 -0.75 4.63 4.86 3mt1A1 HIS 162 HB2 -0.00 0.02 0.06 -0.04 3.26 3.30 3mt1A1 HIS 162 HB3 0.02 -0.13 -0.10 -0.04 3.20 2.94 3mt1A1 HIS 162 HD2 0.04 0.29 -0.53 -0.04 6.97 6.72 3mt1A1 HIS 162 HE1 -0.01 -0.04 -0.09 -0.04 7.75 7.56 3mt1A1 ASN 163 H 0.06 0.19 0.09 -0.55 8.53 8.33 3mt1A1 ASN 163 HA 0.07 0.06 0.43 -0.75 4.76 4.56 3mt1A1 ASN 163 HB2 0.03 -0.04 0.12 -0.04 2.88 2.95 3mt1A1 ASN 163 HB3 0.06 0.11 -0.16 -0.04 2.79 2.76 3mt1A1 ASN 163 HD21 -0.06 0.12 -0.14 -0.04 7.03 6.92 3mt1A1 ASN 163 HD22 -0.01 -0.04 -0.14 -0.04 7.74 7.51 3mt1A1 ASN 164 H 0.05 0.02 -0.00 -0.55 8.53 8.05 3mt1A1 ASN 164 HA 0.03 0.28 0.86 -0.75 4.76 5.17 3mt1A1 ASN 164 HB2 0.03 0.05 0.03 -0.04 2.88 2.94 3mt1A1 ASN 164 HB3 0.03 0.02 -0.25 -0.04 2.79 2.55 3mt1A1 ASN 164 HD21 0.32 -0.07 -0.07 -0.04 7.03 7.17 3mt1A1 ASN 164 HD22 0.13 0.17 -0.05 -0.04 7.74 7.95 3mt1A1 ASN 167 HA 0.04 -0.20 0.27 -0.75 4.76 4.12 3mt1A1 LYS 168 H -0.02 0.01 0.14 -0.55 8.42 8.00 3mt1A1 LYS 168 HA -0.17 0.14 0.69 -0.75 4.32 4.24 3mt1A1 ASP 169 H 0.01 -0.02 0.10 -0.55 8.40 7.94 3mt1A1 ASP 169 HA 0.07 0.26 0.72 -0.75 4.63 4.93 3mt1A1 PHE 170 H 0.10 0.15 0.16 -0.55 8.34 8.20 3mt1A1 PHE 170 HA 0.17 0.23 0.69 -0.75 4.62 4.95 3mt1A1 PHE 170 HB2 -0.45 0.07 0.05 -0.04 3.15 2.78 3mt1A1 PHE 170 HB3 -0.17 -0.03 0.14 -0.04 3.06 2.95 3mt1A1 PHE 170 HD2 0.19 -0.00 -0.04 -0.04 7.28 7.38 3mt1A1 PHE 170 HE2 0.27 0.06 -0.07 -0.04 7.38 7.60 3mt1A1 PHE 170 HZ 0.15 0.10 -0.15 -0.04 7.32 7.37 3mt1A1 GLY 171 H 0.02 0.05 0.06 -0.55 8.43 8.01 3mt1A1 GLY 171 HA2 -0.27 0.12 0.39 -0.51 4.01 3.74 3mt1A1 GLY 171 HA3 -0.07 0.05 0.27 -0.51 4.01 3.76 3mt1A1 LEU 172 H -0.01 -0.05 -0.39 -0.55 8.37 7.37 3mt1A1 LEU 172 HA -0.04 0.08 0.39 -0.75 4.35 4.02 3mt1A1 LEU 172 HB2 0.03 -0.09 0.06 -0.04 1.64 1.60 3mt1A1 LEU 172 HB3 0.02 0.19 -0.04 -0.04 1.64 1.77 3mt1A1 LEU 172 HG -0.00 -0.09 0.05 -0.04 1.64 1.55 3mt1A1 LEU 172 HD13 -0.00 -0.04 0.08 -0.04 0.93 0.93 3mt1A1 LEU 172 HD23 -0.01 0.03 0.01 -0.04 0.89 0.87 3mt1A1 PHE 173 H 0.16 0.13 -0.20 -0.55 8.34 7.88 3mt1A1 PHE 173 HA 0.01 0.08 0.32 -0.75 4.62 4.28 3mt1A1 PHE 173 HB2 0.14 -0.01 0.09 -0.04 3.15 3.33 3mt1A1 PHE 173 HB3 0.10 0.02 0.14 -0.04 3.06 3.28 3mt1A1 PHE 173 HD2 0.22 -0.02 -0.09 -0.04 7.28 7.34 3mt1A1 PHE 173 HE2 0.12 0.03 -0.08 -0.04 7.38 7.41 3mt1A1 PHE 173 HZ 0.03 0.02 -0.07 -0.04 7.32 7.25 3mt1A1 ASP 174 H -0.24 0.49 -0.18 -0.55 8.40 7.92 3mt1A1 ASP 174 HA -0.26 0.02 0.38 -0.75 4.63 4.02 3mt1A1 ASP 174 HB2 -0.75 -0.03 0.05 -0.04 2.71 1.94 3mt1A1 ASP 174 HB3 -0.29 0.05 0.08 -0.04 2.70 2.50 3mt1A1 ARG 175 H -0.15 0.45 -0.17 -0.55 8.46 8.03 3mt1A1 ARG 175 HA -0.09 -0.06 0.37 -0.75 4.34 3.80 3mt1A1 ARG 175 HB2 -0.08 0.16 0.23 -0.04 1.90 2.17 3mt1A1 ARG 175 HB3 -0.06 -0.05 0.16 -0.04 1.80 1.81 3mt1A1 ARG 175 HG2 -0.05 -0.05 0.07 -0.04 1.67 1.60 3mt1A1 ARG 175 HG3 -0.07 -0.01 0.03 -0.04 1.67 1.58 3mt1A1 ARG 175 HD2 -0.04 -0.01 0.03 -0.04 3.22 3.17 3mt1A1 ARG 175 HD3 -0.03 -0.05 0.01 -0.04 3.22 3.10 3mt1A1 LEU 177 HA -0.27 -0.06 0.31 -0.75 4.35 3.57 3mt1A1 LEU 177 HB2 -0.88 0.12 0.10 -0.04 1.64 0.93 3mt1A1 LEU 177 HB3 -0.30 0.08 0.05 -0.04 1.64 1.43 3mt1A1 LEU 177 HG -0.17 -0.05 -0.10 -0.04 1.64 1.28 3mt1A1 LEU 177 HD13 -0.66 -0.01 0.00 -0.04 0.93 0.22 3mt1A1 LEU 177 HD23 -0.27 -0.01 -0.08 -0.04 0.89 0.48 3mt1A1 GLY 178 H -0.12 0.57 -0.77 -0.55 8.43 7.57 3mt1A1 GLY 178 HA2 0.02 -0.02 0.53 -0.51 4.01 4.04 3mt1A1 GLY 178 HA3 -0.03 0.03 0.37 -0.51 4.01 3.86 3mt1A1 GLU 179 H -0.06 0.74 0.31 -0.55 8.60 9.04 3mt1A1 GLU 179 HA -0.05 -0.05 0.44 -0.75 4.29 3.88 3mt1A1 GLU 179 HB2 -0.05 -0.05 0.15 -0.04 2.09 2.10 3mt1A1 GLU 179 HB3 -0.06 0.14 -0.00 -0.04 1.99 2.02 3mt1A1 GLU 179 HG2 -0.05 0.05 -0.28 -0.04 2.34 2.02 3mt1A1 GLU 179 HG3 -0.05 -0.07 0.07 -0.04 2.34 2.24 3mt1A1 ILE 180 H -0.04 0.22 -0.84 -0.55 8.25 7.03 3mt1A1 ILE 180 HA -0.04 0.06 0.53 -0.75 4.18 3.98 3mt1A1 ILE 180 HB -0.03 0.21 0.06 -0.04 1.89 2.10 3mt1A1 ILE 180 HG12 0.11 -0.05 -0.09 -0.04 1.49 1.42 3mt1A1 ILE 180 HG13 0.00 -0.04 -0.17 -0.04 1.21 0.96 3mt1A1 ILE 180 HG23 0.12 -0.01 -0.23 -0.04 0.93 0.77 3mt1A1 ILE 180 HD13 -0.01 0.02 -0.14 -0.04 0.88 0.71 3mt1A1 GLU 181 H 0.07 0.54 0.15 -0.55 8.60 8.81 3mt1A1 GLU 181 HA 0.05 0.01 0.54 -0.75 4.29 4.13 3mt1A1 GLU 181 HB2 0.10 0.09 0.22 -0.04 2.09 2.46 3mt1A1 GLU 181 HB3 0.21 -0.07 0.05 -0.04 1.99 2.13 3mt1A1 GLU 181 HG2 0.42 -0.01 0.05 -0.04 2.34 2.76 3mt1A1 GLU 181 HG3 0.25 0.24 0.12 -0.04 2.34 2.91 3mt1A1 GLU 182 H -0.02 0.57 -0.11 -0.55 8.60 8.50 3mt1A1 GLU 182 HA -0.02 -0.00 0.28 -0.75 4.29 3.80 3mt1A1 GLU 182 HB2 -0.05 0.09 0.07 -0.04 2.09 2.16 3mt1A1 GLU 182 HB3 -0.06 -0.02 -0.01 -0.04 1.99 1.87 3mt1A1 GLU 182 HG2 -0.00 0.00 -0.02 -0.04 2.34 2.28 3mt1A1 GLU 182 HG3 -0.02 -0.03 -0.02 -0.04 2.34 2.23 3mt1A1 ARG 183 H -0.19 0.26 -0.40 -0.55 8.46 7.58 3mt1A1 ARG 183 HA -0.36 0.02 0.52 -0.75 4.34 3.77 3mt1A1 ARG 183 HB2 -0.48 0.17 0.25 -0.04 1.90 1.79 3mt1A1 ARG 183 HB3 -1.91 -0.02 -0.00 -0.04 1.80 -0.17 3mt1A1 ARG 183 HG2 -0.39 0.04 0.04 -0.04 1.67 1.33 3mt1A1 ARG 183 HG3 -0.48 -0.07 0.08 -0.04 1.67 1.16 3mt1A1 ARG 183 HD2 -0.20 -0.09 -0.05 -0.04 3.22 2.84 3mt1A1 ARG 183 HD3 -0.15 0.05 0.05 -0.04 3.22 3.13 3mt1A1 PHE 184 H -0.13 0.58 -0.04 -0.55 8.34 8.20 3mt1A1 PHE 184 HA -0.10 0.15 0.96 -0.75 4.62 4.88 3mt1A1 PHE 184 HB2 -0.15 0.14 -0.02 -0.04 3.15 3.07 3mt1A1 PHE 184 HB3 -0.27 -0.10 0.05 -0.04 3.06 2.71 3mt1A1 PHE 184 HD2 -0.13 0.01 -0.10 -0.04 7.28 7.02 3mt1A1 PHE 184 HE2 -0.06 -0.01 -0.26 -0.04 7.38 7.01 3mt1A1 PHE 184 HZ 0.04 0.18 0.05 -0.04 7.32 7.54 3mt1A1 GLY 185 H -0.01 0.74 0.08 -0.55 8.43 8.70 3mt1A1 GLY 185 HA2 -0.27 0.02 0.35 -0.51 4.01 3.60 3mt1A1 GLY 185 HA3 0.09 0.10 0.36 -0.51 4.01 4.05 3mt1A1 ALA 186 H 0.05 0.13 -0.22 -0.55 8.40 7.81 3mt1A1 ALA 186 HA 0.08 0.08 0.39 -0.75 4.34 4.13 3mt1A1 ALA 186 HB3 0.04 -0.00 0.02 -0.04 1.41 1.43 3mt1A1 LEU 187 H 0.07 0.09 -0.19 -0.55 8.37 7.79 3mt1A1 LEU 187 HA 0.10 0.07 0.55 -0.75 4.35 4.32 3mt1A1 LEU 187 HB2 -0.01 0.08 0.08 -0.04 1.64 1.76 3mt1A1 LEU 187 HB3 0.21 0.01 -0.09 -0.04 1.64 1.72 3mt1A1 LEU 187 HG 0.06 -0.08 -0.01 -0.04 1.64 1.57 3mt1A1 LEU 187 HD13 -0.01 -0.01 -0.05 -0.04 0.93 0.82 3mt1A1 LEU 187 HD23 0.09 0.01 -0.07 -0.04 0.89 0.88 3mt1A1 ILE 188 H 0.01 0.61 -0.09 -0.55 8.25 8.23 3mt1A1 ILE 188 HA 0.20 -0.01 0.23 -0.75 4.18 3.85 3mt1A1 ILE 188 HB -0.46 0.03 0.01 -0.04 1.89 1.43 3mt1A1 ILE 188 HG12 0.13 -0.02 -0.12 -0.04 1.49 1.45 3mt1A1 ILE 188 HG13 -0.02 -0.04 -0.11 -0.04 1.21 0.99 3mt1A1 ILE 188 HG23 -0.30 0.00 -0.18 -0.04 0.93 0.41 3mt1A1 ILE 188 HD13 0.05 -0.03 -0.25 -0.04 0.88 0.62 3mt1A1 ALA 189 H 0.08 0.29 -0.46 -0.55 8.40 7.75 3mt1A1 ALA 189 HA 0.19 0.18 0.37 -0.75 4.34 4.32 3mt1A1 ALA 189 HB3 0.15 -0.00 0.09 -0.04 1.41 1.61 3mt1A1 ARG 190 H 0.06 0.31 -0.37 -0.55 8.46 7.91 3mt1A1 ARG 190 HA 0.02 0.09 0.60 -0.75 4.34 4.30 3mt1A1 ARG 190 HB2 0.03 0.06 0.07 -0.04 1.90 2.01 3mt1A1 ARG 190 HB3 0.00 -0.07 0.15 -0.04 1.80 1.84 3mt1A1 ARG 190 HG2 0.02 -0.05 -0.02 -0.04 1.67 1.57 3mt1A1 ARG 190 HG3 0.04 0.11 0.01 -0.04 1.67 1.79 3mt1A1 ARG 190 HD2 0.02 -0.10 -0.01 -0.04 3.22 3.09 3mt1A1 ARG 190 HD3 0.04 -0.01 -0.01 -0.04 3.22 3.19 3mt1A1 VAL 191 H -0.00 0.38 -0.35 -0.55 8.24 7.71 3mt1A1 VAL 191 HA -0.10 0.17 0.97 -0.75 4.13 4.42 3mt1A1 VAL 191 HB -0.41 0.14 -0.09 -0.04 2.12 1.71 3mt1A1 VAL 191 HG13 -0.41 0.02 -0.30 -0.04 0.97 0.24 3mt1A1 VAL 191 HG23 -0.23 -0.03 -0.09 -0.04 0.95 0.55 3mt1A1 ASP 192 H -0.12 0.36 0.33 -0.55 8.40 8.42 3mt1A1 ASP 192 HA 0.09 0.40 1.03 -0.75 4.63 5.40 3mt1A1 ASP 192 HB2 0.15 -0.06 0.23 -0.04 2.71 2.98 3mt1A1 ASP 192 HB3 0.07 0.09 -0.04 -0.04 2.70 2.78 3mt1A1 TRP 193 H -0.22 0.22 0.27 -0.55 7.97 7.69 3mt1A1 TRP 193 HA 0.16 0.07 0.32 -0.75 4.62 4.42 3mt1A1 TRP 193 HB2 0.37 0.06 0.10 -0.04 3.23 3.72 3mt1A1 TRP 193 HB3 0.20 0.12 0.20 -0.04 3.23 3.72 3mt1A1 TRP 193 HD1 0.05 0.04 -0.21 -0.04 7.22 7.05 3mt1A1 TRP 193 HE1 -0.04 -0.05 -0.18 -0.04 10.20 9.89 3mt1A1 TRP 193 HE3 0.16 0.09 -0.42 -0.04 7.59 7.38 3mt1A1 TRP 193 HZ2 -0.11 0.02 -0.50 -0.04 7.44 6.81 3mt1A1 TRP 193 HZ3 0.00 -0.01 -0.22 -0.04 7.13 6.86 3mt1A1 TRP 193 HH2 -0.12 -0.05 -0.34 -0.04 7.19 6.64 3mt1A1 VAL 194 H 0.55 0.80 0.28 -0.55 8.24 9.32 3mt1A1 VAL 194 HA 0.24 0.20 0.91 -0.75 4.13 4.72 3mt1A1 VAL 194 HB 0.36 -0.05 -0.06 -0.04 2.12 2.33 3mt1A1 VAL 194 HG13 0.23 -0.01 -0.26 -0.04 0.97 0.89 3mt1A1 VAL 194 HG23 0.24 -0.03 -0.31 -0.04 0.95 0.81 3mt1A1 SER 195 H 0.41 0.55 0.31 -0.55 8.46 9.18 3mt1A1 SER 195 HA 0.37 0.22 1.25 -0.75 4.49 5.57 3mt1A1 SER 195 HB2 0.29 -0.07 -0.07 -0.04 3.95 4.06 3mt1A1 SER 195 HB3 0.42 -0.02 -0.04 -0.04 3.93 4.24 3mt1A1 LEU 196 H 0.19 0.63 0.32 -0.55 8.37 8.96 3mt1A1 LEU 196 HA 0.14 0.52 0.78 -0.75 4.35 5.04 3mt1A1 LEU 196 HB2 0.16 -0.03 0.07 -0.04 1.64 1.80 3mt1A1 LEU 196 HB3 0.16 -0.04 0.17 -0.04 1.64 1.90 3mt1A1 LEU 196 HG 0.11 -0.05 -0.24 -0.04 1.64 1.41 3mt1A1 LEU 196 HD13 -0.02 -0.01 -0.07 -0.04 0.93 0.79 3mt1A1 LEU 196 HD23 -0.07 0.05 -0.06 -0.04 0.89 0.76 3mt1A1 GLY 197 H 0.06 0.06 -0.15 -0.55 8.43 7.86 3mt1A1 GLY 197 HA2 -0.34 -0.01 0.24 -0.51 4.01 3.40 3mt1A1 GLY 197 HA3 -0.97 0.01 0.33 -0.51 4.01 2.86 3mt1A1 GLY 198 H -0.18 0.05 0.11 -0.55 8.43 7.86 3mt1A1 GLY 198 HA2 0.02 0.15 0.60 -0.51 4.01 4.26 3mt1A1 GLY 198 HA3 -0.00 -0.03 0.31 -0.51 4.01 3.78 3mt1A1 GLY 199 H 0.02 -0.00 0.11 -0.55 8.43 8.02 3mt1A1 GLY 199 HA2 0.06 -0.00 0.27 -0.51 4.01 3.84 3mt1A1 GLY 199 HA3 0.03 0.21 0.37 -0.51 4.01 4.10 3mt1A1 ILE 200 H -0.02 -0.02 -0.51 -0.55 8.25 7.14 3mt1A1 ILE 200 HA -0.09 0.33 0.77 -0.75 4.18 4.43 3mt1A1 ILE 200 HB 0.03 -0.07 0.02 -0.04 1.89 1.83 3mt1A1 ILE 200 HG12 -0.01 0.04 -0.13 -0.04 1.49 1.34 3mt1A1 ILE 200 HG13 0.03 0.06 -0.32 -0.04 1.21 0.94 3mt1A1 ILE 200 HG23 -0.47 -0.01 -0.19 -0.04 0.93 0.22 3mt1A1 ILE 200 HD13 0.05 0.02 -0.11 -0.04 0.88 0.80 3mt1A1 HIS 201 H -0.18 0.38 0.06 -0.55 8.41 8.13 3mt1A1 HIS 201 HA -0.42 0.01 0.30 -0.75 4.63 3.77 3mt1A1 HIS 201 HB2 -0.13 0.09 0.16 -0.04 3.26 3.34 3mt1A1 HIS 201 HB3 -0.17 -0.10 0.20 -0.04 3.20 3.10 3mt1A1 HIS 201 HD2 -0.03 -0.05 0.05 -0.04 6.97 6.89 3mt1A1 HIS 201 HE1 -0.06 -0.02 -0.06 -0.04 7.75 7.56 3mt1A1 PHE 202 H -1.02 0.48 -0.20 -0.55 8.34 7.04 3mt1A1 PHE 202 HA -1.18 0.06 0.21 -0.75 4.62 2.96 3mt1A1 PHE 202 HB2 -0.41 0.03 0.05 -0.04 3.15 2.78 3mt1A1 PHE 202 HB3 -1.19 -0.03 -0.10 -0.04 3.06 1.69 3mt1A1 PHE 202 HD2 -0.36 -0.00 -0.25 -0.04 7.28 6.62 3mt1A1 PHE 202 HE2 -0.07 0.02 -0.09 -0.04 7.38 7.20 3mt1A1 PHE 202 HZ -0.04 0.01 -0.10 -0.04 7.32 7.16 3mt1A1 THR 203 H -0.49 -0.04 -0.43 -0.55 8.28 6.77 3mt1A1 THR 203 HA -0.03 0.29 0.88 -0.75 4.39 4.78 3mt1A1 THR 203 HB -0.10 0.03 0.15 -0.04 4.32 4.35 3mt1A1 THR 203 HG23 -0.13 0.00 -0.11 -0.04 1.22 0.94 3mt1A1 GLY 204 H -0.12 0.43 -0.11 -0.55 8.43 8.08 3mt1A1 GLY 204 HA2 -0.04 0.06 0.46 -0.51 4.01 3.98 3mt1A1 GLY 204 HA3 0.01 0.00 0.31 -0.51 4.01 3.82 3mt1A1 ASP 205 H 0.00 0.10 0.14 -0.55 8.40 8.09 3mt1A1 ASP 205 HA 0.01 0.17 0.20 -0.75 4.63 4.25 3mt1A1 ASP 205 HB2 0.01 -0.07 0.14 -0.04 2.71 2.75 3mt1A1 ASP 205 HB3 0.00 0.02 0.03 -0.04 2.70 2.71 3mt1A1 ASP 206 H 0.05 0.02 -0.27 -0.55 8.40 7.66 3mt1A1 ASP 206 HA 0.02 0.26 0.75 -0.75 4.63 4.91 3mt1A1 ASP 206 HB2 0.03 -0.03 0.03 -0.04 2.71 2.69 3mt1A1 ASP 206 HB3 0.01 -0.01 0.13 -0.04 2.70 2.78 3mt1A1 TYR 207 H 0.15 0.46 -0.28 -0.55 8.29 8.07 3mt1A1 TYR 207 HA -0.01 0.03 0.44 -0.75 4.56 4.26 3mt1A1 TYR 207 HB2 -0.02 0.02 0.06 -0.04 3.06 3.09 3mt1A1 TYR 207 HB3 -0.02 0.09 -0.02 -0.04 2.98 2.99 3mt1A1 TYR 207 HD2 -0.06 -0.01 -0.27 -0.04 7.15 6.78 3mt1A1 TYR 207 HE2 -0.29 0.04 -0.24 -0.04 6.85 6.32 3mt1A1 PRO 208 HA -0.11 0.12 0.47 -0.51 4.44 4.41 3mt1A1 PRO 208 HB2 -0.35 -0.11 0.19 -0.04 2.28 1.97 3mt1A1 PRO 208 HB3 -0.18 0.09 0.12 -0.04 2.02 2.01 3mt1A1 PRO 208 HG2 -0.70 -0.02 0.11 -0.04 2.03 1.38 3mt1A1 PRO 208 HG3 -0.24 0.02 0.12 -0.04 2.03 1.89 3mt1A1 PRO 208 HD2 -1.85 0.08 0.06 -0.04 3.68 1.93 3mt1A1 PRO 208 HD3 -0.53 0.15 0.24 -0.04 3.65 3.46 3mt1A1 VAL 209 H 0.04 0.54 0.29 -0.55 8.24 8.55 3mt1A1 VAL 209 HA 0.22 0.05 0.18 -0.75 4.13 3.83 3mt1A1 VAL 209 HB 0.06 -0.02 0.16 -0.04 2.12 2.27 3mt1A1 VAL 209 HG13 0.10 0.01 -0.11 -0.04 0.97 0.92 3mt1A1 VAL 209 HG23 0.16 0.06 0.04 -0.04 0.95 1.17 3mt1A1 ASP 210 H -0.01 0.09 -0.10 -0.55 8.40 7.83 3mt1A1 ASP 210 HA 0.01 0.15 0.43 -0.75 4.63 4.46 3mt1A1 ASP 210 HB2 -0.03 -0.07 0.08 -0.04 2.71 2.65 3mt1A1 ASP 210 HB3 -0.01 0.06 0.01 -0.04 2.70 2.72 3mt1A1 ALA 211 H -0.12 0.08 -0.14 -0.55 8.40 7.68 3mt1A1 ALA 211 HA -0.04 0.06 0.41 -0.75 4.34 4.02 3mt1A1 ALA 211 HB3 -0.23 0.02 0.07 -0.04 1.41 1.22 3mt1A1 PHE 212 H -0.19 0.50 -0.24 -0.55 8.34 7.87 3mt1A1 PHE 212 HA 0.00 -0.00 0.33 -0.75 4.62 4.20 3mt1A1 PHE 212 HB2 -0.18 -0.08 -0.00 -0.04 3.15 2.84 3mt1A1 PHE 212 HB3 -0.05 0.12 0.07 -0.04 3.06 3.16 3mt1A1 PHE 212 HD2 0.05 0.01 -0.07 -0.04 7.28 7.24 3mt1A1 PHE 212 HE2 -1.10 0.04 -0.11 -0.04 7.38 6.17 3mt1A1 PHE 212 HZ -0.38 0.02 -0.11 -0.04 7.32 6.82 3mt1A1 SER 213 H 0.04 0.64 -0.05 -0.55 8.46 8.54 3mt1A1 SER 213 HA -0.27 0.02 0.51 -0.75 4.49 3.99 3mt1A1 SER 213 HB2 -0.02 0.06 0.07 -0.04 3.95 4.02 3mt1A1 SER 213 HB3 -0.04 0.07 -0.35 -0.04 3.93 3.56 3mt1A1 ALA 214 H -0.02 0.55 -0.11 -0.55 8.40 8.27 3mt1A1 ALA 214 HA 0.00 0.05 0.38 -0.75 4.34 4.02 3mt1A1 ALA 214 HB3 0.02 0.01 0.14 -0.04 1.41 1.54 3mt1A1 ARG 215 H 0.06 0.51 -0.26 -0.55 8.46 8.22 3mt1A1 ARG 215 HA 0.12 -0.04 0.35 -0.75 4.34 4.02 3mt1A1 ARG 215 HB2 0.34 -0.03 0.10 -0.04 1.90 2.27 3mt1A1 ARG 215 HB3 0.27 0.20 0.14 -0.04 1.80 2.37 3mt1A1 ARG 215 HG2 0.29 -0.06 -0.02 -0.04 1.67 1.83 3mt1A1 ARG 215 HG3 0.20 0.05 -0.15 -0.04 1.67 1.73 3mt1A1 ARG 215 HD2 0.14 -0.04 0.12 -0.04 3.22 3.39 3mt1A1 ARG 215 HD3 0.15 -0.05 0.02 -0.04 3.22 3.29 3mt1A1 LEU 216 H -0.11 0.44 -0.12 -0.55 8.37 8.02 3mt1A1 LEU 216 HA 0.06 0.00 0.53 -0.75 4.35 4.18 3mt1A1 LEU 216 HB2 -0.22 0.13 0.22 -0.04 1.64 1.73 3mt1A1 LEU 216 HB3 -0.08 -0.01 0.03 -0.04 1.64 1.54 3mt1A1 LEU 216 HG -0.77 0.14 0.03 -0.04 1.64 1.00 3mt1A1 LEU 216 HD13 -0.45 -0.02 -0.08 -0.04 0.93 0.34 3mt1A1 LEU 216 HD23 0.01 -0.02 -0.05 -0.04 0.89 0.79 3mt1A1 ARG 217 H -0.01 0.60 -0.03 -0.55 8.46 8.47 3mt1A1 ARG 217 HA 0.04 0.10 0.59 -0.75 4.34 4.31 3mt1A1 ARG 217 HB2 0.01 0.09 0.23 -0.04 1.90 2.19 3mt1A1 ARG 217 HB3 0.02 -0.12 0.01 -0.04 1.80 1.68 3mt1A1 ARG 217 HG2 0.01 0.03 0.06 -0.04 1.67 1.73 3mt1A1 ARG 217 HG3 -0.01 0.14 0.10 -0.04 1.67 1.85 3mt1A1 ARG 217 HD2 0.01 -0.09 0.02 -0.04 3.22 3.12 3mt1A1 ARG 217 HD3 0.01 -0.09 0.00 -0.04 3.22 3.10 3mt1A1 ALA 218 H 0.07 0.55 -0.08 -0.55 8.40 8.40 3mt1A1 ALA 218 HA 0.04 -0.03 0.40 -0.75 4.34 4.00 3mt1A1 ALA 218 HB3 0.08 0.02 0.11 -0.04 1.41 1.58 3mt1A1 PHE 219 H 0.26 0.48 -0.19 -0.55 8.34 8.34 3mt1A1 PHE 219 HA 0.15 -0.03 0.37 -0.75 4.62 4.36 3mt1A1 PHE 219 HB2 0.11 -0.01 0.09 -0.04 3.15 3.30 3mt1A1 PHE 219 HB3 0.10 0.14 0.14 -0.04 3.06 3.39 3mt1A1 PHE 219 HD2 0.16 0.02 -0.15 -0.04 7.28 7.26 3mt1A1 PHE 219 HE2 0.02 -0.02 -0.13 -0.04 7.38 7.21 3mt1A1 PHE 219 HZ -0.09 -0.01 -0.14 -0.04 7.32 7.04 3mt1A1 SER 220 H 0.21 0.47 -0.22 -0.55 8.46 8.37 3mt1A1 SER 220 HA 0.16 0.00 0.40 -0.75 4.49 4.30 3mt1A1 SER 220 HB2 0.16 -0.02 0.12 -0.04 3.95 4.18 3mt1A1 SER 220 HB3 0.09 0.02 0.20 -0.04 3.93 4.20 3mt1A1 ASP 221 H 0.03 0.65 -0.07 -0.55 8.40 8.47 3mt1A1 ASP 221 HA -0.00 0.06 0.57 -0.75 4.63 4.50 3mt1A1 ASP 221 HB2 -0.01 0.05 0.17 -0.04 2.71 2.87 3mt1A1 ASP 221 HB3 -0.02 -0.08 -0.01 -0.04 2.70 2.55 3mt1A1 ARG 222 H -0.11 0.51 -0.02 -0.55 8.46 8.30 3mt1A1 ARG 222 HA -0.23 -0.05 0.41 -0.75 4.34 3.72 3mt1A1 ARG 222 HB2 -0.25 -0.03 0.15 -0.04 1.90 1.72 3mt1A1 ARG 222 HB3 -0.48 0.11 0.19 -0.04 1.80 1.58 3mt1A1 ARG 222 HG2 -1.78 0.05 -0.19 -0.04 1.67 -0.28 3mt1A1 ARG 222 HG3 -0.51 -0.06 -0.00 -0.04 1.67 1.05 3mt1A1 ARG 222 HD2 -0.35 0.02 -0.01 -0.04 3.22 2.84 3mt1A1 ARG 222 HD3 -0.42 -0.06 -0.03 -0.04 3.22 2.66 3mt1A1 TYR 223 H -0.21 0.43 -0.19 -0.55 8.29 7.77 3mt1A1 TYR 223 HA -0.11 0.08 0.34 -0.75 4.56 4.12 3mt1A1 TYR 223 HB2 -0.40 0.07 -0.00 -0.04 3.06 2.69 3mt1A1 TYR 223 HB3 -0.16 0.10 -0.15 -0.04 2.98 2.73 3mt1A1 TYR 223 HD2 -0.68 0.16 -0.01 -0.04 7.15 6.58 3mt1A1 TYR 223 HE2 -0.15 -0.04 -0.02 -0.04 6.85 6.59 3mt1A1 GLY 224 H -0.01 0.18 -0.47 -0.55 8.43 7.58 3mt1A1 GLY 224 HA2 0.03 0.02 0.36 -0.51 4.01 3.91 3mt1A1 GLY 224 HA3 0.03 -0.02 0.47 -0.51 4.01 3.97 3mt1A1 VAL 225 H 0.09 0.13 -0.04 -0.55 8.24 7.87 3mt1A1 VAL 225 HA 0.13 0.25 0.84 -0.75 4.13 4.59 3mt1A1 VAL 225 HB 0.22 -0.13 -0.36 -0.04 2.12 1.81 3mt1A1 VAL 225 HG13 0.08 0.03 -0.34 -0.04 0.97 0.70 3mt1A1 VAL 225 HG23 0.19 -0.05 -0.24 -0.04 0.95 0.81 3mt1A1 GLN 226 H 0.25 0.60 0.11 -0.55 8.47 8.89 3mt1A1 GLN 226 HA 0.08 0.14 0.86 -0.75 4.36 4.69 3mt1A1 GLN 226 HB2 0.11 0.03 0.13 -0.04 2.15 2.38 3mt1A1 GLN 226 HB3 0.29 -0.00 0.27 -0.04 2.02 2.54 3mt1A1 GLN 226 HG2 -0.09 -0.06 -0.05 -0.04 2.40 2.16 3mt1A1 GLN 226 HG3 -0.36 -0.02 -0.40 -0.04 2.39 1.57 3mt1A1 GLN 226 HE21 -0.13 0.39 0.18 -0.04 6.97 7.37 3mt1A1 GLN 226 HE22 -0.29 0.17 0.10 -0.04 7.69 7.63 3mt1A1 ILE 227 H 0.04 0.21 0.13 -0.55 8.25 8.09 3mt1A1 ILE 227 HA 0.23 0.27 0.77 -0.75 4.18 4.70 3mt1A1 ILE 227 HB 0.04 -0.02 0.08 -0.04 1.89 1.95 3mt1A1 ILE 227 HG12 0.28 0.00 -0.11 -0.04 1.49 1.62 3mt1A1 ILE 227 HG13 0.26 0.04 -0.20 -0.04 1.21 1.27 3mt1A1 ILE 227 HG23 0.07 -0.03 -0.19 -0.04 0.93 0.74 3mt1A1 ILE 227 HD13 0.24 -0.02 -0.02 -0.04 0.88 1.03 3mt1A1 TYR 228 H 0.37 0.82 0.52 -0.55 8.29 9.46 3mt1A1 TYR 228 HA 0.06 0.26 1.04 -0.75 4.56 5.17 3mt1A1 TYR 228 HB2 0.23 -0.07 0.06 -0.04 3.06 3.24 3mt1A1 TYR 228 HB3 0.03 -0.02 -0.11 -0.04 2.98 2.85 3mt1A1 TYR 228 HD2 0.09 0.05 -0.22 -0.04 7.15 7.03 3mt1A1 TYR 228 HE2 -0.05 0.02 -0.14 -0.04 6.85 6.64 3mt1A1 LEU 229 H 0.09 0.99 0.34 -0.55 8.37 9.24 3mt1A1 LEU 229 HA 0.13 0.10 0.88 -0.75 4.35 4.71 3mt1A1 LEU 229 HB2 0.06 0.10 0.03 -0.04 1.64 1.79 3mt1A1 LEU 229 HB3 0.17 -0.07 -0.03 -0.04 1.64 1.67 3mt1A1 LEU 229 HG 0.02 0.01 -0.24 -0.04 1.64 1.39 3mt1A1 LEU 229 HD13 -0.15 -0.01 -0.15 -0.04 0.93 0.58 3mt1A1 LEU 229 HD23 0.14 0.00 -0.05 -0.04 0.89 0.94 3mt1A1 GLU 230 H 0.09 0.54 -0.01 -0.55 8.60 8.68 3mt1A1 GLU 230 HA 0.04 0.43 0.85 -0.75 4.29 4.85 3mt1A1 GLU 230 HB2 0.04 -0.16 -0.07 -0.04 2.09 1.87 3mt1A1 GLU 230 HB3 0.06 -0.09 -0.02 -0.04 1.99 1.91 3mt1A1 GLU 230 HG2 0.04 0.04 -0.25 -0.04 2.34 2.13 3mt1A1 GLU 230 HG3 0.10 0.05 -0.66 -0.04 2.34 1.79 3mt1A1 PRO 231 HA -0.03 -0.16 0.43 -0.51 4.44 4.17 3mt1A1 PRO 231 HB2 -0.11 -0.08 -0.13 -0.04 2.28 1.91 3mt1A1 PRO 231 HB3 -0.05 0.04 -0.01 -0.04 2.02 1.96 3mt1A1 PRO 231 HG2 0.05 0.08 -0.09 -0.04 2.03 2.03 3mt1A1 PRO 231 HG3 0.24 0.09 -0.12 -0.04 2.03 2.20 3mt1A1 PRO 231 HD2 0.08 0.39 -0.09 -0.04 3.68 4.02 3mt1A1 PRO 231 HD3 0.21 0.01 -0.32 -0.04 3.65 3.51 3mt1A1 GLY 232 H -0.04 -0.02 0.22 -0.55 8.43 8.04 3mt1A1 GLY 232 HA2 -0.06 0.28 0.95 -0.51 4.01 4.67 3mt1A1 GLY 232 HA3 -0.05 0.02 0.45 -0.51 4.01 3.92 3mt1A1 GLU 233 H -0.02 0.14 0.14 -0.55 8.60 8.31 3mt1A1 GLU 233 HA -0.11 0.10 0.40 -0.75 4.29 3.92 3mt1A1 GLU 233 HB2 0.04 0.04 0.13 -0.04 2.09 2.25 3mt1A1 GLU 233 HB3 -0.15 -0.00 0.03 -0.04 1.99 1.83 3mt1A1 GLU 233 HG2 -0.11 0.09 -0.03 -0.04 2.34 2.25 3mt1A1 GLU 233 HG3 -0.18 -0.03 -0.09 -0.04 2.34 2.00 3mt1A1 ALA 234 H -0.24 0.01 -0.20 -0.55 8.40 7.43 3mt1A1 ALA 234 HA -0.34 0.04 0.28 -0.75 4.34 3.56 3mt1A1 ALA 234 HB3 -0.67 0.02 0.02 -0.04 1.41 0.74 3mt1A1 SER 235 H -0.18 0.13 -0.67 -0.55 8.46 7.20 3mt1A1 SER 235 HA -0.13 0.12 0.45 -0.75 4.49 4.17 3mt1A1 SER 235 HB2 -0.14 0.11 -0.01 -0.04 3.95 3.86 3mt1A1 SER 235 HB3 -0.11 0.01 -0.05 -0.04 3.93 3.74 3mt1A1 ILE 236 H -0.21 0.27 -0.20 -0.55 8.25 7.56 3mt1A1 ILE 236 HA -0.25 0.34 0.89 -0.75 4.18 4.41 3mt1A1 ILE 236 HB -0.40 -0.14 0.02 -0.04 1.89 1.32 3mt1A1 ILE 236 HG12 -0.25 0.03 -0.29 -0.04 1.49 0.93 3mt1A1 ILE 236 HG13 -0.23 0.17 -0.14 -0.04 1.21 0.97 3mt1A1 ILE 236 HG23 -1.05 0.01 -0.28 -0.04 0.93 -0.42 3mt1A1 ILE 236 HD13 -0.11 -0.04 -0.29 -0.04 0.88 0.41 3mt1A1 THR 237 H -0.18 0.33 -0.07 -0.55 8.28 7.82 3mt1A1 THR 237 HA -0.11 -0.08 0.31 -0.75 4.39 3.76 3mt1A1 THR 237 HB -0.11 -0.00 -0.21 -0.04 4.32 3.96 3mt1A1 THR 237 HG23 -0.18 -0.01 -0.04 -0.04 1.22 0.94 3mt1A1 LYS 238 H -0.05 0.05 0.25 -0.55 8.42 8.11 3mt1A1 LYS 238 HA -0.03 -0.11 0.42 -0.75 4.32 3.85 3mt1A1 LYS 238 HB2 -0.06 0.19 -0.29 -0.04 1.87 1.68 3mt1A1 LYS 238 HB3 -0.03 0.01 0.18 -0.04 1.79 1.90 3mt1A1 LYS 238 HG2 -0.02 -0.03 0.06 -0.04 1.46 1.43 3mt1A1 LYS 238 HG3 -0.05 -0.05 -0.02 -0.04 1.46 1.30 3mt1A1 LYS 238 HD2 -0.04 0.04 -0.06 -0.04 1.69 1.59 3mt1A1 LYS 238 HD3 -0.03 0.01 0.00 -0.04 1.68 1.63 3mt1A1 LYS 238 HE2 -0.02 -0.01 0.00 -0.04 2.99 2.93 3mt1A1 LYS 238 HE3 -0.01 -0.00 -0.00 -0.04 2.99 2.93 3mt1A1 SER 239 H -0.05 0.08 -0.08 -0.55 8.46 7.87 3mt1A1 SER 239 HA -0.04 0.20 1.06 -0.75 4.49 4.95 3mt1A1 SER 239 HB2 -0.07 -0.07 0.05 -0.04 3.95 3.82 3mt1A1 SER 239 HB3 -0.10 0.23 -0.28 -0.04 3.93 3.74 3mt1A1 THR 240 H 0.00 -0.06 0.20 -0.55 8.28 7.87 3mt1A1 THR 240 HA 0.05 0.51 1.11 -0.75 4.39 5.31 3mt1A1 THR 240 HB 0.07 -0.19 -0.09 -0.04 4.32 4.07 3mt1A1 THR 240 HG23 0.15 0.03 -0.35 -0.04 1.22 1.01 3mt1A1 THR 241 H 0.06 0.47 0.34 -0.55 8.28 8.61 3mt1A1 THR 241 HA 0.05 0.26 1.05 -0.75 4.39 5.00 3mt1A1 THR 241 HB -0.06 0.06 -0.06 -0.04 4.32 4.21 3mt1A1 THR 241 HG23 -0.02 -0.03 -0.21 -0.04 1.22 0.93 3mt1A1 LEU 242 H 0.08 0.56 0.28 -0.55 8.37 8.74 3mt1A1 LEU 242 HA -0.15 0.26 1.03 -0.75 4.35 4.74 3mt1A1 LEU 242 HB2 0.07 0.08 0.07 -0.04 1.64 1.82 3mt1A1 LEU 242 HB3 0.22 -0.06 0.19 -0.04 1.64 1.95 3mt1A1 LEU 242 HG 0.03 -0.08 -0.29 -0.04 1.64 1.26 3mt1A1 LEU 242 HD13 -0.50 0.03 -0.11 -0.04 0.93 0.32 3mt1A1 LEU 242 HD23 0.20 0.01 -0.06 -0.04 0.89 1.00 3mt1A1 GLU 243 H -0.42 0.67 0.24 -0.55 8.60 8.54 3mt1A1 GLU 243 HA -0.34 0.20 0.89 -0.75 4.29 4.29 3mt1A1 GLU 243 HB2 -1.35 -0.01 0.16 -0.04 2.09 0.84 3mt1A1 GLU 243 HB3 -0.52 0.02 -0.01 -0.04 1.99 1.44 3mt1A1 GLU 243 HG2 -0.43 0.02 -0.10 -0.04 2.34 1.78 3mt1A1 GLU 243 HG3 -0.65 0.02 -0.09 -0.04 2.34 1.58 3mt1A1 VAL 244 H -0.31 0.67 0.38 -0.55 8.24 8.43 3mt1A1 VAL 244 HA -0.15 0.16 0.96 -0.75 4.13 4.36 3mt1A1 VAL 244 HB -0.09 -0.09 -0.06 -0.04 2.12 1.84 3mt1A1 VAL 244 HG13 -0.07 0.02 -0.34 -0.04 0.97 0.53 3mt1A1 VAL 244 HG23 -0.31 0.03 -0.19 -0.04 0.95 0.44 3mt1A1 THR 245 H -0.06 0.12 0.18 -0.55 8.28 7.97 3mt1A1 THR 245 HA -0.10 0.36 1.07 -0.75 4.39 4.97 3mt1A1 THR 245 HB -0.03 -0.06 0.08 -0.04 4.32 4.26 3mt1A1 THR 245 HG23 -0.04 0.08 -0.09 -0.04 1.22 1.13 3mt1A1 VAL 246 H -0.11 0.66 0.17 -0.55 8.24 8.41 3mt1A1 VAL 246 HA -0.07 0.11 0.57 -0.75 4.13 3.99 3mt1A1 VAL 246 HB -0.11 -0.10 0.22 -0.04 2.12 2.09 3mt1A1 VAL 246 HG13 -0.12 -0.03 -0.30 -0.04 0.97 0.48 3mt1A1 VAL 246 HG23 -0.21 0.05 -0.10 -0.04 0.95 0.65 3mt1A1 LEU 247 H -0.02 1.07 0.53 -0.55 8.37 9.40 3mt1A1 LEU 247 HA -0.02 0.13 0.79 -0.75 4.35 4.50 3mt1A1 LEU 247 HB2 0.02 0.05 -0.06 -0.04 1.64 1.61 3mt1A1 LEU 247 HB3 0.01 -0.03 -0.00 -0.04 1.64 1.57 3mt1A1 LEU 247 HG 0.01 0.02 -0.14 -0.04 1.64 1.49 3mt1A1 LEU 247 HD13 0.03 0.00 -0.17 -0.04 0.93 0.76 3mt1A1 LEU 247 HD23 0.01 0.00 -0.05 -0.04 0.89 0.81 3mt1A1 ASP 248 H -0.01 0.35 0.24 -0.55 8.40 8.43 3mt1A1 ASP 248 HA 0.00 0.11 0.68 -0.75 4.63 4.67 3mt1A1 ASP 248 HB2 0.02 0.10 -0.39 -0.04 2.71 2.40 3mt1A1 ASP 248 HB3 0.03 -0.05 -0.10 -0.04 2.70 2.54 3mt1A1 THR 249 H 0.03 0.30 0.19 -0.55 8.28 8.25 3mt1A1 THR 249 HA 0.08 0.22 0.74 -0.75 4.39 4.67 3mt1A1 THR 249 HB -0.01 -0.04 -0.17 -0.04 4.32 4.07 3mt1A1 THR 249 HG23 0.03 0.01 -0.04 -0.04 1.22 1.18 3mt1A1 LEU 250 H 0.14 0.56 0.32 -0.55 8.37 8.84 3mt1A1 LEU 250 HA 0.10 0.10 0.63 -0.75 4.35 4.42 3mt1A1 LEU 250 HB2 0.06 0.00 0.09 -0.04 1.64 1.76 3mt1A1 LEU 250 HB3 0.06 0.02 -0.50 -0.04 1.64 1.18 3mt1A1 LEU 250 HG 0.05 -0.04 -0.30 -0.04 1.64 1.31 3mt1A1 LEU 250 HD13 0.04 0.00 -0.22 -0.04 0.93 0.71 3mt1A1 LEU 250 HD23 0.04 0.00 -0.20 -0.04 0.89 0.70 3mt1A1 TYR 251 H 0.15 0.20 0.12 -0.55 8.29 8.21 3mt1A1 TYR 251 HA 0.00 0.43 1.02 -0.75 4.56 5.27 3mt1A1 TYR 251 HB2 -0.01 -0.02 -0.09 -0.04 3.06 2.90 3mt1A1 TYR 251 HB3 -0.00 -0.02 0.12 -0.04 2.98 3.04 3mt1A1 TYR 251 HD2 -0.03 -0.03 -0.22 -0.04 7.15 6.82 3mt1A1 TYR 251 HE2 -0.03 -0.01 -0.13 -0.04 6.85 6.63 3mt1A1 ASN 252 H -0.24 0.42 -0.02 -0.55 8.53 8.15 3mt1A1 ASN 252 HA -0.02 0.13 0.71 -0.75 4.76 4.82 3mt1A1 GLY 253 H -0.22 0.18 -0.12 -0.55 8.43 7.72 3mt1A1 GLY 253 HA2 -0.12 0.00 0.35 -0.51 4.01 3.74 3mt1A1 GLY 253 HA3 -0.16 0.16 0.58 -0.51 4.01 4.07 3mt1A1 LYS 254 H -0.48 0.29 -0.65 -0.55 8.42 7.03 3mt1A1 LYS 254 HA -0.36 0.17 0.81 -0.75 4.32 4.18 3mt1A1 ASN 255 H -0.08 0.18 0.16 -0.55 8.53 8.24 3mt1A1 ASN 255 HA 0.06 0.08 0.79 -0.75 4.76 4.93 3mt1A1 ASN 255 HB2 -0.31 0.31 0.35 -0.04 2.88 3.19 3mt1A1 ASN 255 HB3 -1.04 -0.04 0.03 -0.04 2.79 1.70 3mt1A1 ASN 255 HD21 -0.03 -0.05 0.02 -0.04 7.03 6.94 3mt1A1 ASN 255 HD22 -0.07 0.12 0.11 -0.04 7.74 7.86 3mt1A1 LEU 256 H 0.10 0.78 0.47 -0.55 8.37 9.18 3mt1A1 LEU 256 HA 0.15 0.20 1.00 -0.75 4.35 4.94 3mt1A1 LEU 256 HB2 0.06 -0.06 0.02 -0.04 1.64 1.62 3mt1A1 LEU 256 HB3 0.08 0.01 -0.05 -0.04 1.64 1.63 3mt1A1 LEU 256 HG -0.05 -0.02 -0.19 -0.04 1.64 1.33 3mt1A1 LEU 256 HD13 0.01 0.00 -0.08 -0.04 0.93 0.82 3mt1A1 LEU 256 HD23 0.02 0.07 -0.12 -0.04 0.89 0.82 3mt1A1 ALA 257 H 0.17 0.33 0.23 -0.55 8.40 8.58 3mt1A1 ALA 257 HA 0.06 0.21 0.74 -0.75 4.34 4.59 3mt1A1 ALA 257 HB3 -0.10 0.01 -0.00 -0.04 1.41 1.28 3mt1A1 ILE 258 H 0.03 0.56 0.25 -0.55 8.25 8.54 3mt1A1 ILE 258 HA 0.10 0.36 1.03 -0.75 4.18 4.91 3mt1A1 ILE 258 HB 0.04 -0.13 0.03 -0.04 1.89 1.80 3mt1A1 ILE 258 HG12 0.07 0.06 -0.25 -0.04 1.49 1.33 3mt1A1 ILE 258 HG13 0.05 -0.10 -0.24 -0.04 1.21 0.89 3mt1A1 ILE 258 HG23 0.07 0.07 -0.21 -0.04 0.93 0.83 3mt1A1 ILE 258 HD13 0.05 0.02 -0.12 -0.04 0.88 0.80 3mt1A1 VAL 259 H 0.10 0.61 0.33 -0.55 8.24 8.74 3mt1A1 VAL 259 HA -0.01 0.26 1.04 -0.75 4.13 4.67 3mt1A1 VAL 259 HB -0.06 -0.05 -0.14 -0.04 2.12 1.83 3mt1A1 VAL 259 HG13 -0.07 -0.00 -0.39 -0.04 0.97 0.46 3mt1A1 VAL 259 HG23 -0.01 0.03 -0.17 -0.04 0.95 0.77 3mt1A1 ASP 260 H -0.00 0.45 0.24 -0.55 8.40 8.55 3mt1A1 ASP 260 HA 0.07 0.10 0.60 -0.75 4.63 4.64 3mt1A1 ASP 260 HB2 0.05 0.06 0.18 -0.04 2.71 2.96 3mt1A1 ASP 260 HB3 0.03 0.01 0.11 -0.04 2.70 2.81 3mt1A1 SER 261 H 0.16 0.62 0.03 -0.55 8.46 8.73 3mt1A1 SER 261 HA 0.37 0.22 0.52 -0.75 4.49 4.85 3mt1A1 SER 261 HB2 0.13 0.13 -0.32 -0.04 3.95 3.85 3mt1A1 SER 261 HB3 0.22 -0.06 -0.25 -0.04 3.93 3.79 3mt1A1 SER 262 H 0.17 0.42 0.13 -0.55 8.46 8.64 3mt1A1 SER 262 HA 0.11 0.06 0.82 -0.75 4.49 4.72 3mt1A1 SER 262 HB2 0.12 0.12 -0.17 -0.04 3.95 3.98 3mt1A1 SER 262 HB3 -0.10 0.08 0.02 -0.04 3.93 3.89 3mt1A1 ILE 263 H -0.33 0.15 0.06 -0.55 8.25 7.59 3mt1A1 ILE 263 HA -0.34 0.16 0.39 -0.75 4.18 3.63 3mt1A1 ILE 263 HB -0.38 0.05 -0.02 -0.04 1.89 1.50 3mt1A1 ILE 263 HG12 -0.33 -0.17 -0.02 -0.04 1.49 0.93 3mt1A1 ILE 263 HG13 -0.29 0.01 -0.22 -0.04 1.21 0.67 3mt1A1 ILE 263 HG23 -1.34 0.06 -0.18 -0.04 0.93 -0.57 3mt1A1 ILE 263 HD13 -0.24 0.08 -0.15 -0.04 0.88 0.53 3mt1A1 GLU 264 H -0.31 -0.03 -0.17 -0.55 8.60 7.54 3mt1A1 GLU 264 HA -0.30 0.17 0.45 -0.75 4.29 3.86 3mt1A1 GLU 264 HB2 -0.63 -0.02 0.04 -0.04 2.09 1.44 3mt1A1 GLU 264 HB3 -1.10 -0.08 0.03 -0.04 1.99 0.80 3mt1A1 GLU 264 HG2 -0.71 -0.02 -0.21 -0.04 2.34 1.36 3mt1A1 GLU 264 HG3 -0.40 0.10 0.06 -0.04 2.34 2.06 3mt1A1 ALA 265 H -0.25 -0.03 -0.31 -0.55 8.40 7.26 3mt1A1 ALA 265 HA -0.09 0.06 0.51 -0.75 4.34 4.06 3mt1A1 ALA 265 HB3 -0.37 0.05 0.04 -0.04 1.41 1.09 3mt1A1 HIS 266 H -0.12 0.18 -0.20 -0.55 8.41 7.73 3mt1A1 HIS 266 HA 0.07 0.29 0.81 -0.75 4.63 5.05 3mt1A1 HIS 266 HB2 0.11 -0.04 0.07 -0.04 3.26 3.36 3mt1A1 HIS 266 HB3 0.08 0.01 0.05 -0.04 3.20 3.30 3mt1A1 HIS 266 HD2 -0.07 0.20 -0.37 -0.04 6.97 6.68 3mt1A1 HIS 266 HE1 0.04 0.05 0.02 -0.04 7.75 7.81 3mt1A1 LEU 268 HA -0.14 -0.06 0.31 -0.75 4.35 3.71 3mt1A1 LEU 268 HB2 -0.07 0.20 0.02 -0.04 1.64 1.75 3mt1A1 LEU 268 HB3 -0.03 0.04 0.00 -0.04 1.64 1.61 3mt1A1 LEU 268 HG -0.11 -0.09 -0.12 -0.04 1.64 1.28 3mt1A1 LEU 268 HD13 -0.16 -0.01 0.09 -0.04 0.93 0.82 3mt1A1 LEU 268 HD23 -0.05 0.03 0.00 -0.04 0.89 0.83 3mt1A1 ASP 269 H 0.02 0.36 0.17 -0.55 8.40 8.41 3mt1A1 ASP 269 HA -0.07 0.01 0.47 -0.75 4.63 4.28 3mt1A1 ASP 269 HB2 0.11 0.10 0.12 -0.04 2.71 3.00 3mt1A1 ASP 269 HB3 0.23 -0.03 -0.04 -0.04 2.70 2.82 3mt1A1 LEU 270 H -0.03 0.19 -0.23 -0.55 8.37 7.75 3mt1A1 LEU 270 HA 0.01 0.03 0.34 -0.75 4.35 3.98 3mt1A1 LEU 270 HB2 -0.17 -0.10 -0.03 -0.04 1.64 1.30 3mt1A1 LEU 270 HB3 -0.11 0.26 -0.00 -0.04 1.64 1.75 3mt1A1 LEU 270 HG -0.03 -0.02 -0.06 -0.04 1.64 1.48 3mt1A1 LEU 270 HD13 -0.13 -0.00 -0.05 -0.04 0.93 0.71 3mt1A1 LEU 270 HD23 0.03 -0.00 -0.40 -0.04 0.89 0.47 3mt1A1 LEU 271 H -0.14 0.20 -0.40 -0.55 8.37 7.49 3mt1A1 LEU 271 HA -0.13 0.09 0.39 -0.75 4.35 3.95 3mt1A1 LEU 271 HB2 -0.20 -0.14 -0.08 -0.04 1.64 1.18 3mt1A1 LEU 271 HB3 -0.19 0.20 0.08 -0.04 1.64 1.70 3mt1A1 LEU 271 HG -0.17 0.08 -0.26 -0.04 1.64 1.25 3mt1A1 LEU 271 HD13 -0.14 -0.02 -0.05 -0.04 0.93 0.68 3mt1A1 LEU 271 HD23 -0.25 -0.03 -0.05 -0.04 0.89 0.52 3mt1A1 ILE 272 H -0.22 0.58 0.07 -0.55 8.25 8.13 3mt1A1 ILE 272 HA -0.27 -0.03 0.39 -0.75 4.18 3.51 3mt1A1 ILE 272 HB -0.80 0.03 0.11 -0.04 1.89 1.19 3mt1A1 ILE 272 HG12 -0.24 0.25 -0.06 -0.04 1.49 1.39 3mt1A1 ILE 272 HG13 -0.30 -0.03 -0.05 -0.04 1.21 0.79 3mt1A1 ILE 272 HG23 -0.91 -0.02 -0.12 -0.04 0.93 -0.16 3mt1A1 ILE 272 HD13 -0.20 -0.03 -0.00 -0.04 0.88 0.61 3mt1A1 TYR 273 H -0.13 0.64 -0.23 -0.55 8.29 8.01 3mt1A1 TYR 273 HA -0.04 0.20 0.86 -0.75 4.56 4.83 3mt1A1 TYR 273 HB2 -0.04 0.05 -0.01 -0.04 3.06 3.02 3mt1A1 TYR 273 HB3 -0.04 -0.04 0.10 -0.04 2.98 2.96 3mt1A1 TYR 273 HD2 -0.05 0.06 -0.03 -0.04 7.15 7.09 3mt1A1 TYR 273 HE2 -0.08 -0.02 -0.04 -0.04 6.85 6.68 3mt1A1 ARG 274 H -0.04 0.25 -0.49 -0.55 8.46 7.63 3mt1A1 ARG 274 HA -0.03 0.07 0.41 -0.75 4.34 4.04 3mt1A1 GLU 275 H 0.01 0.47 0.12 -0.55 8.60 8.66 3mt1A1 GLU 275 HA 0.02 0.13 0.86 -0.75 4.29 4.55 3mt1A1 GLU 275 HB2 0.06 -0.07 -0.06 -0.04 2.09 1.97 3mt1A1 GLU 275 HB3 0.04 0.04 0.06 -0.04 1.99 2.09 3mt1A1 GLU 275 HG2 0.03 -0.02 -0.01 -0.04 2.34 2.30 3mt1A1 GLU 275 HG3 0.08 0.18 -0.37 -0.04 2.34 2.18 3mt1A1 THR 276 H 0.04 0.09 0.17 -0.55 8.28 8.03 3mt1A1 THR 276 HA 0.04 0.33 1.12 -0.75 4.39 5.12 3mt1A1 THR 276 HB 0.13 0.05 0.33 -0.04 4.32 4.78 3mt1A1 THR 276 HG23 -0.03 -0.01 -0.06 -0.04 1.22 1.08 3mt1A1 ALA 277 H 0.23 0.60 0.28 -0.55 8.40 8.96 3mt1A1 ALA 277 HA 0.11 0.13 0.66 -0.75 4.34 4.49 3mt1A1 ALA 277 HB3 0.06 -0.03 0.08 -0.04 1.41 1.48 3mt1A1 LYS 278 H 0.13 0.18 0.19 -0.55 8.42 8.37 3mt1A1 LYS 278 HA 0.15 0.23 0.96 -0.75 4.32 4.90 3mt1A1 LYS 278 HB2 0.04 -0.11 0.04 -0.04 1.87 1.80 3mt1A1 LYS 278 HB3 0.04 0.02 0.03 -0.04 1.79 1.84 3mt1A1 LYS 278 HG2 0.10 0.10 -0.37 -0.04 1.46 1.25 3mt1A1 LYS 278 HG3 0.07 0.07 -0.05 -0.04 1.46 1.51 3mt1A1 LYS 278 HD2 0.03 -0.05 -0.04 -0.04 1.69 1.59 3mt1A1 LYS 278 HD3 0.05 -0.01 -0.02 -0.04 1.68 1.66 3mt1A1 LYS 278 HE2 0.07 0.10 -0.07 -0.04 2.99 3.05 3mt1A1 LYS 278 HE3 0.04 -0.02 -0.02 -0.04 2.99 2.95 3mt1A1 VAL 279 H -0.06 0.30 0.16 -0.55 8.24 8.08 3mt1A1 VAL 279 HA -0.19 0.23 0.86 -0.75 4.13 4.28 3mt1A1 VAL 279 HB -0.47 -0.03 -0.05 -0.04 2.12 1.54 3mt1A1 VAL 279 HG13 -0.29 0.06 -0.02 -0.04 0.97 0.68 3mt1A1 VAL 279 HG23 -0.92 0.01 -0.30 -0.04 0.95 -0.30 3mt1A1 LEU 280 H -0.13 0.29 0.16 -0.55 8.37 8.15 3mt1A1 LEU 280 HA -0.07 -0.02 0.77 -0.75 4.35 4.28 3mt1A1 LEU 280 HB2 -0.06 0.01 0.06 -0.04 1.64 1.61 3mt1A1 LEU 280 HB3 -0.04 0.02 0.07 -0.04 1.64 1.65 3mt1A1 LEU 280 HG -0.04 -0.06 -0.32 -0.04 1.64 1.18 3mt1A1 LEU 280 HD13 -0.02 0.00 -0.03 -0.04 0.93 0.84 3mt1A1 LEU 280 HD23 -0.02 0.05 0.03 -0.04 0.89 0.90 3mt1A1 PRO 281 HA -0.05 0.07 0.44 -0.51 4.44 4.39 3mt1A1 PRO 281 HB2 -0.03 0.02 -0.01 -0.04 2.28 2.22 3mt1A1 PRO 281 HB3 -0.03 0.03 0.12 -0.04 2.02 2.10 3mt1A1 PRO 281 HG2 -0.03 0.04 0.08 -0.04 2.03 2.07 3mt1A1 PRO 281 HG3 -0.02 0.03 0.08 -0.04 2.03 2.07 3mt1A1 PRO 281 HD2 -0.04 0.12 0.48 -0.04 3.68 4.20 3mt1A1 PRO 281 HD3 -0.03 0.07 0.05 -0.04 3.65 3.70 3mt1A1 ASN 282 H -0.03 0.13 0.09 -0.55 8.53 8.17 3mt1A1 ASN 282 HA -0.12 0.27 0.87 -0.75 4.76 5.03 3mt1A1 ASN 282 HB2 0.03 0.19 0.19 -0.04 2.88 3.24 3mt1A1 ASN 282 HB3 0.02 -0.04 0.28 -0.04 2.79 3.01 3mt1A1 ASN 282 HD21 0.12 0.11 0.13 -0.04 7.03 7.36 3mt1A1 ASN 282 HD22 0.10 -0.02 0.12 -0.04 7.74 7.91 3mt1A1 GLU 283 H -0.09 0.49 -0.42 -0.55 8.60 8.04 3mt1A1 GLU 283 HA -0.01 0.19 0.69 -0.75 4.29 4.40 3mt1A1 GLU 283 HB2 -0.01 -0.01 -0.22 -0.04 2.09 1.80 3mt1A1 GLU 283 HB3 -0.01 0.01 0.02 -0.04 1.99 1.97 3mt1A1 GLU 283 HG2 -0.01 0.09 -0.24 -0.04 2.34 2.13 3mt1A1 GLU 283 HG3 -0.03 -0.19 -0.43 -0.04 2.34 1.66 3mt1A1 GLY 284 H 0.00 0.23 0.05 -0.55 8.43 8.16 3mt1A1 GLY 284 HA2 0.01 -0.02 0.19 -0.51 4.01 3.68 3mt1A1 GLY 284 HA3 0.06 0.20 -0.04 -0.51 4.01 3.73 3mt1A1 SER 285 H -0.14 0.21 0.21 -0.55 8.46 8.19 3mt1A1 SER 285 HA -0.07 0.16 0.71 -0.75 4.49 4.53 3mt1A1 SER 285 HB2 -0.20 -0.00 0.05 -0.04 3.95 3.75 3mt1A1 SER 285 HB3 -0.12 -0.02 0.06 -0.04 3.93 3.81 3mt1A1 HIS 286 H -0.15 0.33 0.03 -0.55 8.41 8.08 3mt1A1 HIS 286 HA 0.06 0.12 0.69 -0.75 4.63 4.75 3mt1A1 HIS 286 HB2 0.34 0.02 -0.04 -0.04 3.26 3.54 3mt1A1 HIS 286 HB3 0.11 0.01 -0.07 -0.04 3.20 3.21 3mt1A1 HIS 286 HD2 0.05 0.03 -0.09 -0.04 6.97 6.91 3mt1A1 HIS 286 HE1 0.07 0.15 0.09 -0.04 7.75 8.01 3mt1A1 SER 287 H 0.09 0.19 0.15 -0.55 8.46 8.35 3mt1A1 SER 287 HA 0.30 0.38 1.08 -0.75 4.49 5.49 3mt1A1 SER 287 HB2 0.09 0.08 -0.09 -0.04 3.95 3.99 3mt1A1 SER 287 HB3 0.08 -0.02 -0.08 -0.04 3.93 3.86 3mt1A1 TYR 288 H 0.54 0.59 0.14 -0.55 8.29 9.00 3mt1A1 TYR 288 HA 0.11 0.27 0.65 -0.75 4.56 4.83 3mt1A1 TYR 288 HB2 0.22 0.01 -0.06 -0.04 3.06 3.20 3mt1A1 TYR 288 HB3 0.11 -0.00 -0.12 -0.04 2.98 2.92 3mt1A1 TYR 288 HD2 0.12 0.06 -0.49 -0.04 7.15 6.80 3mt1A1 TYR 288 HE2 -0.00 0.02 -0.07 -0.04 6.85 6.75 3mt1A1 ILE 290 HA 0.22 -0.00 0.46 -0.75 4.18 4.11 3mt1A1 ILE 290 HB 0.60 -0.01 0.05 -0.04 1.89 2.49 3mt1A1 ILE 290 HG12 0.15 -0.04 -0.15 -0.04 1.49 1.42 3mt1A1 ILE 290 HG13 0.33 -0.03 -0.67 -0.04 1.21 0.79 3mt1A1 ILE 290 HG23 0.30 -0.03 -0.21 -0.04 0.93 0.94 3mt1A1 ILE 290 HD13 0.54 -0.00 -0.20 -0.04 0.88 1.18 3mt1A1 CYS 291 H 0.20 0.61 0.45 -0.55 8.50 9.21 3mt1A1 CYS 291 HA 0.24 0.08 1.33 -0.75 4.58 5.48 3mt1A1 CYS 291 HB2 0.12 -0.07 0.04 -0.04 2.97 3.02 3mt1A1 CYS 291 HB3 0.10 0.21 0.26 -0.04 2.97 3.50 3mt1A1 GLY 292 H 0.15 0.33 0.20 -0.55 8.43 8.56 3mt1A1 GLY 292 HA2 0.35 0.21 0.64 -0.51 4.01 4.69 3mt1A1 GLY 292 HA3 0.19 -0.22 0.51 -0.51 4.01 3.98 3mt1A1 LYS 293 H 0.16 0.65 0.42 -0.55 8.42 9.10 3mt1A1 LYS 293 HA 0.08 0.07 0.44 -0.75 4.32 4.15 3mt1A1 LYS 293 HB2 0.11 0.09 0.33 -0.04 1.87 2.35 3mt1A1 LYS 293 HB3 0.09 -0.06 0.06 -0.04 1.79 1.84 3mt1A1 LYS 293 HG2 0.05 -0.01 0.16 -0.04 1.46 1.61 3mt1A1 LYS 293 HG3 0.05 0.00 0.04 -0.04 1.46 1.51 3mt1A1 LYS 293 HD2 0.06 -0.01 0.03 -0.04 1.69 1.73 3mt1A1 LYS 293 HD3 0.06 -0.02 0.02 -0.04 1.68 1.70 3mt1A1 LYS 293 HE2 0.03 0.00 0.02 -0.04 2.99 3.00 3mt1A1 LYS 293 HE3 0.02 -0.00 0.03 -0.04 2.99 3.00 3mt1A1 SER 294 H 0.11 0.26 -0.69 -0.55 8.46 7.58 3mt1A1 SER 294 HA 0.05 0.26 0.86 -0.75 4.49 4.91 3mt1A1 SER 294 HB2 0.11 0.02 0.10 -0.04 3.95 4.13 3mt1A1 SER 294 HB3 0.25 -0.03 -0.15 -0.04 3.93 3.96 3mt1A1 CYS 295 H 0.07 0.12 0.07 -0.55 8.50 8.21 3mt1A1 CYS 295 HA 0.05 0.34 0.85 -0.75 4.58 5.06 3mt1A1 CYS 295 HB2 0.03 0.01 0.17 -0.04 2.97 3.14 3mt1A1 CYS 295 HB3 0.03 0.05 -0.05 -0.04 2.97 2.96 3mt1A1 LEU 296 H 0.08 0.08 -0.25 -0.55 8.37 7.74 3mt1A1 LEU 296 HA 0.04 0.17 0.78 -0.75 4.35 4.58 3mt1A1 LEU 296 HB2 0.05 -0.04 0.06 -0.04 1.64 1.66 3mt1A1 LEU 296 HB3 -0.01 -0.07 -0.04 -0.04 1.64 1.48 3mt1A1 LEU 296 HG 0.06 0.06 0.02 -0.04 1.64 1.74 3mt1A1 LEU 296 HD13 0.21 0.02 -0.18 -0.04 0.93 0.94 3mt1A1 LEU 296 HD23 -0.03 0.00 -0.03 -0.04 0.89 0.80 3mt1A1 ALA 297 H 0.00 0.14 0.14 -0.55 8.40 8.14 3mt1A1 ALA 297 HA -0.00 0.12 0.43 -0.75 4.34 4.13 3mt1A1 ALA 297 HB3 -0.01 0.00 0.11 -0.04 1.41 1.47 3mt1A1 GLY 298 H -0.04 0.02 -0.10 -0.55 8.43 7.77 3mt1A1 GLY 298 HA2 -0.05 0.13 0.24 -0.51 4.01 3.83 3mt1A1 GLY 298 HA3 -0.07 0.01 0.25 -0.51 4.01 3.68 3mt1A1 ASP 299 H -0.04 0.15 -0.58 -0.55 8.40 7.38 3mt1A1 ASP 299 HA -0.14 -0.08 0.21 -0.75 4.63 3.87 3mt1A1 ASP 299 HB2 -0.01 -0.13 0.07 -0.04 2.71 2.60 3mt1A1 ASP 299 HB3 0.02 0.25 0.21 -0.04 2.70 3.14 3mt1A1 VAL 300 H -0.17 0.31 0.33 -0.55 8.24 8.16 3mt1A1 VAL 300 HA 0.06 0.15 1.10 -0.75 4.13 4.69 3mt1A1 VAL 300 HB -0.04 0.12 0.05 -0.04 2.12 2.20 3mt1A1 VAL 300 HG13 0.02 0.02 -0.16 -0.04 0.97 0.81 3mt1A1 VAL 300 HG23 0.01 -0.01 -0.32 -0.04 0.95 0.58 3mt1A1 PHE 301 H 0.35 0.43 0.30 -0.55 8.34 8.87 3mt1A1 PHE 301 HA -0.08 0.00 0.60 -0.75 4.62 4.38 3mt1A1 PHE 301 HB2 0.17 0.14 0.03 -0.04 3.15 3.45 3mt1A1 PHE 301 HB3 -0.25 -0.05 -0.04 -0.04 3.06 2.68 3mt1A1 PHE 301 HD2 -0.47 0.05 -0.17 -0.04 7.28 6.64 3mt1A1 PHE 301 HE2 -0.11 0.04 -0.29 -0.04 7.38 6.98 3mt1A1 PHE 301 HZ 0.05 -0.07 -0.41 -0.04 7.32 6.84 3mt1A1 GLY 302 H 0.23 0.47 0.11 -0.55 8.43 8.69 3mt1A1 GLY 302 HA2 -0.08 0.04 0.19 -0.51 4.01 3.66 3mt1A1 GLY 302 HA3 -0.15 0.07 0.72 -0.51 4.01 4.14 3mt1A1 GLU 303 H -0.77 0.19 0.10 -0.55 8.60 7.57 3mt1A1 GLU 303 HA -0.22 0.38 0.93 -0.75 4.29 4.62 3mt1A1 GLU 303 HB2 -0.15 -0.04 -0.21 -0.04 2.09 1.65 3mt1A1 GLU 303 HB3 -0.19 -0.04 0.07 -0.04 1.99 1.79 3mt1A1 GLU 303 HG2 -0.03 0.04 -0.15 -0.04 2.34 2.17 3mt1A1 GLU 303 HG3 -0.02 0.03 -0.13 -0.04 2.34 2.17 3mt1A1 PHE 304 H 0.15 0.65 0.28 -0.55 8.34 8.87 3mt1A1 PHE 304 HA 0.01 0.16 0.94 -0.75 4.62 4.98 3mt1A1 PHE 304 HB2 0.03 0.01 -0.12 -0.04 3.15 3.03 3mt1A1 PHE 304 HB3 -0.19 -0.00 0.01 -0.04 3.06 2.84 3mt1A1 PHE 304 HD2 0.16 0.05 -0.14 -0.04 7.28 7.31 3mt1A1 PHE 304 HE2 0.20 0.13 -0.27 -0.04 7.38 7.41 3mt1A1 PHE 304 HZ 0.16 0.05 -0.35 -0.04 7.32 7.14 3mt1A1 ARG 305 H -0.02 0.13 0.08 -0.55 8.46 8.11 3mt1A1 ARG 305 HA 0.20 0.28 0.78 -0.75 4.34 4.84 3mt1A1 ARG 305 HB2 -0.02 -0.07 -0.48 -0.04 1.90 1.29 3mt1A1 ARG 305 HB3 0.04 0.07 -0.44 -0.04 1.80 1.43 3mt1A1 ARG 305 HG2 0.06 0.01 -0.31 -0.04 1.67 1.39 3mt1A1 ARG 305 HG3 0.04 -0.06 -0.24 -0.04 1.67 1.36 3mt1A1 ARG 305 HD2 0.01 0.01 -0.09 -0.04 3.22 3.11 3mt1A1 ARG 305 HD3 0.02 0.04 -0.09 -0.04 3.22 3.14 3mt1A1 PHE 306 H 0.35 0.56 0.08 -0.55 8.34 8.77 3mt1A1 PHE 306 HA 0.08 0.23 0.77 -0.75 4.62 4.95 3mt1A1 PHE 306 HB2 0.19 0.04 -0.03 -0.04 3.15 3.31 3mt1A1 PHE 306 HB3 0.07 -0.09 0.09 -0.04 3.06 3.09 3mt1A1 PHE 306 HD2 0.12 0.03 -0.14 -0.04 7.28 7.24 3mt1A1 PHE 306 HE2 0.07 0.01 -0.14 -0.04 7.38 7.27 3mt1A1 PHE 306 HZ -0.03 -0.03 -0.17 -0.04 7.32 7.05 3mt1A1 ALA 307 H 0.20 0.17 0.22 -0.55 8.40 8.44 3mt1A1 ALA 307 HA 0.11 -0.08 0.67 -0.75 4.34 4.28 3mt1A1 ALA 307 HB3 0.08 0.01 0.12 -0.04 1.41 1.58 3mt1A1 GLU 308 H 0.18 0.10 0.07 -0.55 8.60 8.40 3mt1A1 GLU 308 HA 0.24 0.18 0.90 -0.75 4.29 4.86 3mt1A1 GLU 309 H -0.14 0.09 0.09 -0.55 8.60 8.09 3mt1A1 GLU 309 HA -0.18 0.05 0.37 -0.75 4.29 3.78 3mt1A1 GLU 309 HB2 -0.21 -0.05 0.11 -0.04 2.09 1.90 3mt1A1 GLU 309 HB3 -0.09 0.06 -0.12 -0.04 1.99 1.80 3mt1A1 GLU 309 HG2 0.07 0.05 0.00 -0.04 2.34 2.43 3mt1A1 GLU 309 HG3 -0.39 -0.02 -0.01 -0.04 2.34 1.88 3mt1A1 LEU 310 H -0.26 0.10 0.08 -0.55 8.37 7.74 3mt1A1 LEU 310 HA -0.35 0.09 0.59 -0.75 4.35 3.92 3mt1A1 LEU 310 HB2 -1.40 -0.02 0.04 -0.04 1.64 0.22 3mt1A1 LEU 310 HB3 -0.58 0.02 -0.09 -0.04 1.64 0.95 3mt1A1 LEU 310 HG -1.22 0.01 -0.07 -0.04 1.64 0.32 3mt1A1 LEU 310 HD13 -1.03 0.00 -0.14 -0.04 0.93 -0.27 3mt1A1 LEU 310 HD23 -0.86 0.02 -0.12 -0.04 0.89 -0.11 3mt1A1 LYS 311 H -0.19 0.19 0.16 -0.55 8.42 8.03 3mt1A1 LYS 311 HA -0.07 0.14 0.78 -0.75 4.32 4.41 3mt1A1 LYS 311 HB2 -0.08 -0.03 0.00 -0.04 1.87 1.72 3mt1A1 LYS 311 HB3 -0.06 0.10 0.00 -0.04 1.79 1.79 3mt1A1 LYS 311 HG2 -0.05 0.02 -0.14 -0.04 1.46 1.25 3mt1A1 LYS 311 HG3 -0.07 0.10 -0.27 -0.04 1.46 1.18 3mt1A1 LYS 311 HD2 -0.04 -0.01 -0.05 -0.04 1.69 1.55 3mt1A1 LYS 311 HD3 -0.04 0.03 -0.03 -0.04 1.68 1.60 3mt1A1 LYS 311 HE2 -0.02 -0.01 -0.02 -0.04 2.99 2.90 3mt1A1 LYS 311 HE3 -0.03 0.00 -0.04 -0.04 2.99 2.88 3mt1A1 VAL 312 H -0.05 0.11 0.05 -0.55 8.24 7.80 3mt1A1 VAL 312 HA -0.06 0.09 0.29 -0.75 4.13 3.70 3mt1A1 VAL 312 HB -0.03 -0.05 0.09 -0.04 2.12 2.09 3mt1A1 VAL 312 HG13 -0.02 0.02 -0.07 -0.04 0.97 0.87 3mt1A1 VAL 312 HG23 -0.02 -0.01 -0.18 -0.04 0.95 0.69 3mt1A1 GLY 313 H -0.05 0.61 0.28 -0.55 8.43 8.72 3mt1A1 GLY 313 HA2 -0.04 -0.01 0.38 -0.51 4.01 3.83 3mt1A1 GLY 313 HA3 -0.04 0.13 0.74 -0.51 4.01 4.33 3mt1A1 ASP 314 H -0.10 0.49 -0.15 -0.55 8.40 8.09 3mt1A1 ASP 314 HA -0.09 0.05 0.46 -0.75 4.63 4.30 3mt1A1 ASP 314 HB2 -0.18 0.07 0.16 -0.04 2.71 2.72 3mt1A1 ASP 314 HB3 -0.18 0.07 0.03 -0.04 2.70 2.58 3mt1A1 ARG 315 H -0.09 0.12 0.22 -0.55 8.46 8.16 3mt1A1 ARG 315 HA -0.13 0.27 1.03 -0.75 4.34 4.76 3mt1A1 ARG 315 HB2 -0.07 0.05 0.07 -0.04 1.90 1.90 3mt1A1 ARG 315 HB3 -0.07 -0.06 0.14 -0.04 1.80 1.77 3mt1A1 ARG 315 HG2 -0.08 -0.04 -0.11 -0.04 1.67 1.40 3mt1A1 ARG 315 HG3 -0.13 -0.02 -0.57 -0.04 1.67 0.91 3mt1A1 ARG 315 HD2 -0.18 -0.06 -0.10 -0.04 3.22 2.84 3mt1A1 ARG 315 HD3 -0.18 0.19 0.10 -0.04 3.22 3.29 3mt1A1 ILE 316 H -0.22 0.60 0.31 -0.55 8.25 8.38 3mt1A1 ILE 316 HA -0.18 0.16 0.83 -0.75 4.18 4.23 3mt1A1 ILE 316 HB -0.42 -0.05 -0.05 -0.04 1.89 1.32 3mt1A1 ILE 316 HG12 -0.17 0.08 -0.17 -0.04 1.49 1.19 3mt1A1 ILE 316 HG13 -0.24 -0.06 -0.50 -0.04 1.21 0.37 3mt1A1 ILE 316 HG23 -0.60 0.01 -0.25 -0.04 0.93 0.04 3mt1A1 ILE 316 HD13 -0.19 -0.01 -0.22 -0.04 0.88 0.42 3mt1A1 SER 317 H -0.28 0.23 0.15 -0.55 8.46 8.01 3mt1A1 SER 317 HA -0.34 0.32 1.03 -0.75 4.49 4.74 3mt1A1 SER 317 HB2 -0.16 -0.02 0.10 -0.04 3.95 3.83 3mt1A1 SER 317 HB3 -0.14 0.01 -0.09 -0.04 3.93 3.66 3mt1A1 PHE 318 H -0.27 0.68 0.31 -0.55 8.34 8.50 3mt1A1 PHE 318 HA -0.14 0.33 1.00 -0.75 4.62 5.06 3mt1A1 PHE 318 HB2 -0.03 -0.08 0.20 -0.04 3.15 3.20 3mt1A1 PHE 318 HB3 0.01 0.02 0.10 -0.04 3.06 3.15 3mt1A1 PHE 318 HD2 -0.23 0.06 -0.08 -0.04 7.28 7.00 3mt1A1 PHE 318 HE2 -0.61 -0.01 -0.21 -0.04 7.38 6.51 3mt1A1 PHE 318 HZ -0.60 -0.02 -0.20 -0.04 7.32 6.46 3mt1A1 GLN 319 H 0.07 0.57 0.28 -0.55 8.47 8.85 3mt1A1 GLN 319 HA 0.02 0.07 0.42 -0.75 4.36 4.12 3mt1A1 GLN 319 HB2 0.02 -0.02 -0.05 -0.04 2.15 2.06 3mt1A1 GLN 319 HB3 0.00 -0.05 0.03 -0.04 2.02 1.96 3mt1A1 GLN 319 HG2 -0.05 0.14 -0.09 -0.04 2.40 2.36 3mt1A1 GLN 319 HG3 -0.03 -0.03 -0.17 -0.04 2.39 2.12 3mt1A1 GLN 319 HE21 -0.06 -0.00 -0.08 -0.04 6.97 6.78 3mt1A1 GLN 319 HE22 -0.09 0.11 -0.04 -0.04 7.69 7.63 3mt1A1 ASP 320 H 0.02 0.13 0.21 -0.55 8.40 8.22 3mt1A1 ASP 320 HA 0.01 -0.17 0.53 -0.75 4.63 4.24 3mt1A1 ASP 320 HB2 0.00 -0.01 0.04 -0.04 2.71 2.71 3mt1A1 ASP 320 HB3 0.03 0.19 0.02 -0.04 2.70 2.90 3mt1A1 ALA 321 H 0.07 0.51 -0.03 -0.55 8.40 8.42 3mt1A1 ALA 321 HA 0.11 0.27 0.71 -0.75 4.34 4.68 3mt1A1 ALA 321 HB3 0.20 0.01 -0.19 -0.04 1.41 1.39 3mt1A1 ALA 322 H 0.04 0.03 -0.19 -0.55 8.40 7.73 3mt1A1 ALA 322 HA 0.09 0.17 0.53 -0.75 4.34 4.38 3mt1A1 ALA 322 HB3 0.03 0.00 -0.01 -0.04 1.41 1.39 3mt1A1 GLY 323 H 0.05 0.07 -0.15 -0.55 8.43 7.85 3mt1A1 GLY 323 HA2 -0.04 0.19 0.46 -0.51 4.01 4.10 3mt1A1 GLY 323 HA3 0.01 -0.06 0.21 -0.51 4.01 3.66 3mt1A1 TYR 324 H -0.21 0.77 0.35 -0.55 8.29 8.66 3mt1A1 TYR 324 HA 0.04 0.13 0.32 -0.75 4.56 4.31 3mt1A1 TYR 324 HB2 0.05 0.11 -0.28 -0.04 3.06 2.90 3mt1A1 TYR 324 HB3 0.06 -0.01 0.13 -0.04 2.98 3.12 3mt1A1 TYR 324 HD2 0.04 0.08 -0.11 -0.04 7.15 7.12 3mt1A1 TYR 324 HE2 0.03 -0.07 -0.12 -0.04 6.85 6.65 3mt1A1 THR 325 H 0.01 0.13 -0.39 -0.55 8.28 7.49 3mt1A1 THR 325 HA 0.07 0.23 0.84 -0.75 4.39 4.78 3mt1A1 THR 325 HB 0.13 0.13 0.13 -0.04 4.32 4.68 3mt1A1 THR 325 HG23 0.13 0.03 -0.17 -0.04 1.22 1.17 3mt1A1 VAL 327 HA -0.04 -0.05 0.22 -0.75 4.13 3.50 3mt1A1 VAL 327 HB -0.03 -0.08 -0.07 -0.04 2.12 1.90 3mt1A1 VAL 327 HG13 0.06 0.09 -0.16 -0.04 0.97 0.91 3mt1A1 VAL 327 HG23 -0.06 -0.02 -0.15 -0.04 0.95 0.68 3mt1A1 LYS 328 H -0.02 0.48 0.87 -0.55 8.42 9.19 3mt1A1 LYS 328 HA 0.01 0.09 0.71 -0.75 4.32 4.37 3mt1A1 LYS 328 HB2 0.02 -0.10 0.08 -0.04 1.87 1.83 3mt1A1 LYS 328 HB3 0.05 0.01 -0.34 -0.04 1.79 1.47 3mt1A1 LYS 328 HG2 0.07 -0.02 -0.56 -0.04 1.46 0.91 3mt1A1 LYS 328 HG3 0.03 0.08 -0.28 -0.04 1.46 1.25 3mt1A1 LYS 328 HD2 0.03 -0.10 -0.06 -0.04 1.69 1.52 3mt1A1 LYS 328 HD3 0.03 -0.08 -0.08 -0.04 1.68 1.51 3mt1A1 LYS 328 HE2 0.16 -0.02 -0.17 -0.04 2.99 2.92 3mt1A1 LYS 328 HE3 0.18 0.34 0.01 -0.04 2.99 3.48 3mt1A1 LYS 329 H -0.05 0.01 0.26 -0.55 8.42 8.09 3mt1A1 LYS 329 HA 0.00 0.31 0.64 -0.75 4.32 4.52 3mt1A1 LYS 329 HB2 -0.06 0.03 0.09 -0.04 1.87 1.89 3mt1A1 LYS 329 HB3 0.05 0.03 0.14 -0.04 1.79 1.98 3mt1A1 LYS 329 HG2 -0.11 -0.05 -0.00 -0.04 1.46 1.26 3mt1A1 LYS 329 HG3 -0.23 -0.05 -0.15 -0.04 1.46 0.99 3mt1A1 LYS 329 HD2 -0.41 0.01 -0.09 -0.04 1.69 1.15 3mt1A1 LYS 329 HD3 -0.01 0.03 -0.06 -0.04 1.68 1.60 3mt1A1 LYS 329 HE2 -0.01 -0.01 -0.07 -0.04 2.99 2.86 3mt1A1 LYS 329 HE3 -0.09 -0.01 -0.10 -0.04 2.99 2.75 3mt1A1 ASN 330 H -0.08 0.47 0.37 -0.55 8.53 8.75 3mt1A1 ASN 330 HA -0.19 0.17 0.68 -0.75 4.76 4.66 3mt1A1 ASN 330 HB2 0.07 -0.21 0.12 -0.04 2.88 2.83 3mt1A1 ASN 330 HB3 -0.00 0.19 -0.18 -0.04 2.79 2.76 3mt1A1 ASN 330 HD21 -0.07 0.34 0.14 -0.04 7.03 7.39 3mt1A1 ASN 330 HD22 -0.03 0.27 -0.03 -0.04 7.74 7.92 3mt1A1 TRP 331 H 0.24 0.17 0.06 -0.55 7.97 7.89 3mt1A1 TRP 331 HA 0.11 0.33 0.66 -0.75 4.62 4.97 3mt1A1 TRP 331 HB2 0.14 0.02 0.08 -0.04 3.23 3.43 3mt1A1 TRP 331 HB3 0.33 -0.07 0.16 -0.04 3.23 3.61 3mt1A1 TRP 331 HD1 0.04 0.02 -0.04 -0.04 7.22 7.20 3mt1A1 TRP 331 HE1 0.02 0.02 -0.19 -0.04 10.20 10.01 3mt1A1 TRP 331 HE3 0.05 0.04 -0.14 -0.04 7.59 7.50 3mt1A1 TRP 331 HZ2 0.10 -0.09 -0.16 -0.04 7.44 7.25 3mt1A1 TRP 331 HZ3 0.04 -0.01 -0.15 -0.04 7.13 6.96 3mt1A1 TRP 331 HH2 0.16 -0.06 -0.21 -0.04 7.19 7.04 3mt1A1 PHE 332 H 0.25 0.18 -0.48 -0.55 8.34 7.74 3mt1A1 PHE 332 HA 0.09 0.01 0.34 -0.75 4.62 4.30 3mt1A1 PHE 332 HB2 -0.01 0.10 -0.05 -0.04 3.15 3.15 3mt1A1 PHE 332 HB3 -0.06 0.00 -0.02 -0.04 3.06 2.94 3mt1A1 PHE 332 HD2 -0.03 0.00 -0.07 -0.04 7.28 7.14 3mt1A1 PHE 332 HE2 -0.02 -0.02 -0.06 -0.04 7.38 7.24 3mt1A1 PHE 332 HZ -0.02 -0.05 -0.05 -0.04 7.32 7.16 3mt1A1 ASN 333 H -0.18 0.13 0.20 -0.55 8.53 8.13 3mt1A1 ASN 333 HA -0.23 0.01 0.36 -0.75 4.76 4.15 3mt1A1 ASN 333 HB2 -0.74 0.14 -0.46 -0.04 2.88 1.78 3mt1A1 ASN 333 HB3 -0.27 0.04 0.12 -0.04 2.79 2.64 3mt1A1 ASN 333 HD21 -0.22 -0.06 0.02 -0.04 7.03 6.73 3mt1A1 ASN 333 HD22 -0.22 0.09 0.03 -0.04 7.74 7.61 3mt1A1 GLY 334 H 0.15 0.75 -0.35 -0.55 8.43 8.44 3mt1A1 GLY 334 HA2 -0.05 0.02 0.22 -0.51 4.01 3.69 3mt1A1 GLY 334 HA3 -0.29 -0.01 0.50 -0.51 4.01 3.70 3mt1A1 VAL 335 H 0.07 0.33 -0.36 -0.55 8.24 7.74 3mt1A1 VAL 335 HA 0.07 0.02 0.42 -0.75 4.13 3.90 3mt1A1 VAL 335 HB 0.13 -0.00 -0.02 -0.04 2.12 2.19 3mt1A1 VAL 335 HG13 0.01 -0.01 -0.08 -0.04 0.97 0.85 3mt1A1 VAL 335 HG23 0.09 0.03 -0.10 -0.04 0.95 0.93 3mt1A1 LYS 336 H 0.14 0.05 0.08 -0.55 8.42 8.14 3mt1A1 LYS 336 HA 0.35 0.08 0.21 -0.75 4.32 4.21 3mt1A1 LYS 336 HB2 0.13 -0.03 0.12 -0.04 1.87 2.05 3mt1A1 LYS 336 HB3 0.12 0.01 0.13 -0.04 1.79 2.00 3mt1A1 LYS 336 HG2 0.09 0.09 0.02 -0.04 1.46 1.62 3mt1A1 LYS 336 HG3 0.19 0.02 0.07 -0.04 1.46 1.70 3mt1A1 LYS 336 HD2 0.12 -0.02 0.03 -0.04 1.69 1.79 3mt1A1 LYS 336 HD3 0.11 -0.07 0.05 -0.04 1.68 1.73 3mt1A1 LYS 336 HE2 0.06 -0.09 0.05 -0.04 2.99 2.97 3mt1A1 LYS 336 HE3 0.07 0.08 0.12 -0.04 2.99 3.22 3mt1A1 PRO 338 HA -0.06 0.24 0.08 -0.51 4.44 4.18 3mt1A1 PRO 338 HB2 -0.49 -0.06 -0.11 -0.04 2.28 1.58 3mt1A1 PRO 338 HB3 -0.43 -0.13 -0.33 -0.04 2.02 1.09 3mt1A1 PRO 338 HG2 -0.67 -0.01 0.01 -0.04 2.03 1.33 3mt1A1 PRO 338 HG3 -1.05 -0.03 0.14 -0.04 2.03 1.06 3mt1A1 PRO 338 HD2 -0.16 -0.04 0.03 -0.04 3.68 3.48 3mt1A1 PRO 338 HD3 -0.63 0.04 -0.50 -0.04 3.65 2.51 3mt1A1 ALA 339 H 0.10 0.44 0.33 -0.55 8.40 8.72 3mt1A1 ALA 339 HA 0.12 0.09 0.71 -0.75 4.34 4.50 3mt1A1 ALA 339 HB3 0.00 -0.01 0.15 -0.04 1.41 1.51 3mt1A1 ILE 340 H -0.03 0.44 0.40 -0.55 8.25 8.52 3mt1A1 ILE 340 HA 0.17 0.20 1.03 -0.75 4.18 4.83 3mt1A1 ILE 340 HB -0.10 -0.08 0.22 -0.04 1.89 1.89 3mt1A1 ILE 340 HG12 0.07 0.03 0.03 -0.04 1.49 1.58 3mt1A1 ILE 340 HG13 0.25 0.10 -0.09 -0.04 1.21 1.44 3mt1A1 ILE 340 HG23 -0.11 -0.03 -0.10 -0.04 0.93 0.65 3mt1A1 ILE 340 HD13 -0.01 -0.01 -0.01 -0.04 0.88 0.80 3mt1A1 ALA 341 H 0.10 0.68 0.35 -0.55 8.40 8.98 3mt1A1 ALA 341 HA -0.04 0.03 1.03 -0.75 4.34 4.61 3mt1A1 ALA 341 HB3 -0.01 0.02 -0.12 -0.04 1.41 1.26 3mt1A1 ILE 342 H -0.03 0.66 0.37 -0.55 8.25 8.70 3mt1A1 ILE 342 HA 0.02 0.22 1.05 -0.75 4.18 4.72 3mt1A1 ILE 342 HB -0.03 -0.03 0.11 -0.04 1.89 1.91 3mt1A1 ILE 342 HG12 -0.01 0.04 -0.11 -0.04 1.49 1.37 3mt1A1 ILE 342 HG13 -0.05 -0.11 -0.28 -0.04 1.21 0.73 3mt1A1 ILE 342 HG23 0.00 -0.02 -0.28 -0.04 0.93 0.59 3mt1A1 ILE 342 HD13 -0.06 -0.00 -0.10 -0.04 0.88 0.68 3mt1A1 ARG 343 H 0.02 0.72 0.33 -0.55 8.46 8.98 3mt1A1 ARG 343 HA 0.00 0.28 1.07 -0.75 4.34 4.94 3mt1A1 ARG 343 HB2 0.02 0.01 0.01 -0.04 1.90 1.91 3mt1A1 ARG 343 HB3 0.02 -0.10 0.18 -0.04 1.80 1.85 3mt1A1 ARG 343 HG2 0.00 0.02 -0.22 -0.04 1.67 1.44 3mt1A1 ARG 343 HG3 0.01 0.14 -0.17 -0.04 1.67 1.61 3mt1A1 ARG 343 HD2 0.01 -0.07 -0.02 -0.04 3.22 3.11 3mt1A1 ARG 343 HD3 0.00 -0.02 -0.02 -0.04 3.22 3.13 3mt1A1 GLU 344 H -0.00 0.78 0.19 -0.55 8.60 9.02 3mt1A1 GLU 344 HA 0.00 0.11 0.50 -0.75 4.29 4.15 3mt1A1 GLU 344 HB2 -0.00 -0.06 0.09 -0.04 2.09 2.07 3mt1A1 GLU 344 HB3 0.00 -0.07 0.14 -0.04 1.99 2.02 3mt1A1 GLU 344 HG2 -0.01 0.08 -0.03 -0.04 2.34 2.34 3mt1A1 GLU 344 HG3 -0.01 -0.00 -0.02 -0.04 2.34 2.27 3mt1A1 LEU 345 H 0.01 0.22 0.16 -0.55 8.37 8.22 3mt1A1 LEU 345 HA 0.01 0.05 0.23 -0.75 4.35 3.88 3mt1A1 LEU 345 HB2 0.01 0.00 0.09 -0.04 1.64 1.70 3mt1A1 LEU 345 HB3 0.01 0.06 0.10 -0.04 1.64 1.77 3mt1A1 LEU 345 HG 0.02 -0.06 0.06 -0.04 1.64 1.62 3mt1A1 LEU 345 HD13 0.03 0.03 0.02 -0.04 0.93 0.96 3mt1A1 LEU 345 HD23 0.01 0.01 -0.09 -0.04 0.89 0.78 3mt1A1 ASP 346 H 0.00 -0.04 -0.64 -0.55 8.40 7.18 3mt1A1 ASP 346 HA 0.00 0.25 0.67 -0.75 4.63 4.79 3mt1A1 ASP 346 HB2 -0.00 0.05 0.14 -0.04 2.71 2.86 3mt1A1 ASP 346 HB3 0.00 0.02 -0.01 -0.04 2.70 2.67 3mt1A1 GLY 347 H 0.00 0.55 -0.28 -0.55 8.43 8.15 3mt1A1 GLY 347 HA2 0.00 0.03 0.28 -0.51 4.01 3.81 3mt1A1 GLY 347 HA3 -0.00 0.15 0.65 -0.51 4.01 4.31 3mt1A1 SER 348 H -0.00 -0.03 -0.41 -0.55 8.46 7.47 3mt1A1 SER 348 HA -0.01 0.10 0.47 -0.75 4.49 4.30 3mt1A1 VAL 349 H -0.02 0.20 0.21 -0.55 8.24 8.07 3mt1A1 VAL 349 HA -0.01 0.30 1.15 -0.75 4.13 4.81 3mt1A1 ARG 350 H -0.03 0.60 0.33 -0.55 8.46 8.81 3mt1A1 ARG 350 HA -0.06 0.17 0.95 -0.75 4.34 4.65 3mt1A1 ARG 350 HB2 -0.05 0.04 0.07 -0.04 1.90 1.92 3mt1A1 ARG 350 HB3 -0.04 -0.05 -0.14 -0.04 1.80 1.53 3mt1A1 ARG 350 HG2 -0.04 -0.02 0.02 -0.04 1.67 1.59 3mt1A1 ARG 350 HG3 -0.06 0.02 -0.39 -0.04 1.67 1.20 3mt1A1 ARG 350 HD2 -0.04 0.06 -0.07 -0.04 3.22 3.13 3mt1A1 ARG 350 HD3 -0.03 -0.03 -0.05 -0.04 3.22 3.07 3mt1A1 THR 351 H -0.08 0.17 0.16 -0.55 8.28 7.98 3mt1A1 THR 351 HA -0.10 0.13 0.80 -0.75 4.39 4.47 3mt1A1 THR 351 HB -0.09 -0.02 0.13 -0.04 4.32 4.30 3mt1A1 THR 351 HG23 -0.10 0.01 -0.24 -0.04 1.22 0.84 3mt1A1 VAL 352 H -0.11 0.58 0.45 -0.55 8.24 8.61 3mt1A1 VAL 352 HA -0.13 0.14 0.80 -0.75 4.13 4.19 3mt1A1 VAL 352 HB -0.19 0.06 0.05 -0.04 2.12 2.00 3mt1A1 VAL 352 HG13 -0.33 -0.02 -0.05 -0.04 0.97 0.53 3mt1A1 VAL 352 HG23 -0.14 -0.00 -0.07 -0.04 0.95 0.69 3mt1A1 ARG 353 H -0.15 0.33 0.17 -0.55 8.46 8.25 3mt1A1 ARG 353 HA -0.23 0.14 0.89 -0.75 4.34 4.39 3mt1A1 ARG 353 HB2 -0.28 0.07 -0.29 -0.04 1.90 1.36 3mt1A1 ARG 353 HB3 -0.30 -0.08 0.11 -0.04 1.80 1.49 3mt1A1 ARG 353 HG2 -0.48 -0.00 -0.07 -0.04 1.67 1.08 3mt1A1 ARG 353 HG3 -1.15 -0.01 -0.34 -0.04 1.67 0.13 3mt1A1 ARG 353 HD2 -0.28 0.04 0.05 -0.04 3.22 2.98 3mt1A1 ARG 353 HD3 -0.19 0.03 0.02 -0.04 3.22 3.04 3mt1A1 GLU 354 H -0.19 0.20 0.14 -0.55 8.60 8.20 3mt1A1 GLU 354 HA -0.12 0.16 0.97 -0.75 4.29 4.54 3mt1A1 GLU 354 HB2 -0.07 -0.03 0.10 -0.04 2.09 2.05 3mt1A1 GLU 354 HB3 -0.01 0.01 -0.11 -0.04 1.99 1.84 3mt1A1 GLU 354 HG2 0.01 0.07 0.06 -0.04 2.34 2.44 3mt1A1 GLU 354 HG3 -0.05 0.01 0.01 -0.04 2.34 2.26 3mt1A1 PHE 355 H 0.16 0.24 0.09 -0.55 8.34 8.28 3mt1A1 PHE 355 HA 0.19 0.09 0.82 -0.75 4.62 4.96 3mt1A1 PHE 355 HB2 0.18 0.04 0.08 -0.04 3.15 3.41 3mt1A1 PHE 355 HB3 0.51 0.01 -0.01 -0.04 3.06 3.54 3mt1A1 PHE 355 HD2 0.12 0.01 -0.08 -0.04 7.28 7.29 3mt1A1 PHE 355 HE2 0.04 0.06 -0.04 -0.04 7.38 7.41 3mt1A1 PHE 355 HZ -0.02 -0.02 -0.07 -0.04 7.32 7.17 3mt1A1 THR 356 H 0.31 0.06 0.14 -0.55 8.28 8.24 3mt1A1 THR 356 HA 0.21 0.32 0.88 -0.75 4.39 5.04 3mt1A1 THR 356 HB 0.14 -0.10 0.15 -0.04 4.32 4.46 3mt1A1 THR 356 HG23 0.08 0.06 -0.14 -0.04 1.22 1.18 3mt1A1 TYR 357 H 0.22 0.20 0.15 -0.55 8.29 8.31 3mt1A1 TYR 357 HA -0.03 0.15 0.45 -0.75 4.56 4.38 3mt1A1 TYR 357 HB2 0.01 0.08 0.15 -0.04 3.06 3.26 3mt1A1 TYR 357 HB3 0.02 -0.05 0.16 -0.04 2.98 3.06 3mt1A1 TYR 357 HD2 -0.01 0.01 -0.04 -0.04 7.15 7.08 3mt1A1 TYR 357 HE2 0.06 0.03 -0.03 -0.04 6.85 6.87 3mt1A1 ALA 358 H 0.13 0.09 -0.11 -0.55 8.40 7.96 3mt1A1 ALA 358 HA -0.12 0.07 0.36 -0.75 4.34 3.89 3mt1A1 ALA 358 HB3 0.04 0.02 0.05 -0.04 1.41 1.48 3mt1A1 ASP 359 H 0.08 0.00 -0.21 -0.55 8.40 7.72 3mt1A1 ASP 359 HA 0.08 0.06 0.41 -0.75 4.63 4.42 3mt1A1 ASP 359 HB2 0.44 0.14 0.11 -0.04 2.71 3.36 3mt1A1 ASP 359 HB3 0.55 0.08 -0.02 -0.04 2.70 3.27 3mt1A1 TYR 360 H -0.37 0.39 -0.19 -0.55 8.29 7.57 3mt1A1 TYR 360 HA -1.87 0.03 0.28 -0.75 4.56 2.25 3mt1A1 TYR 360 HB2 -2.16 0.01 0.03 -0.04 3.06 0.90 3mt1A1 TYR 360 HB3 -0.83 0.09 0.21 -0.04 2.98 2.41 3mt1A1 TYR 360 HD2 -0.83 -0.02 -0.02 -0.04 7.15 6.24 3mt1A1 TYR 360 HE2 -0.05 -0.02 -0.02 -0.04 6.85 6.72 3mt1A1 GLU 361 H -0.60 0.64 0.02 -0.55 8.60 8.11 3mt1A1 GLU 361 HA -0.67 0.01 0.37 -0.75 4.29 3.24 3mt1A1 GLU 361 HB2 -0.91 -0.02 0.06 -0.04 2.09 1.17 3mt1A1 GLU 361 HB3 -0.36 0.04 0.11 -0.04 1.99 1.74 3mt1A1 GLU 361 HG2 -0.19 0.01 -0.06 -0.04 2.34 2.06 3mt1A1 GLU 361 HG3 -0.22 -0.02 0.03 -0.04 2.34 2.10 3mt1A1 GLN 362 H -0.24 0.62 -0.17 -0.55 8.47 8.13 3mt1A1 GLN 362 HA -0.12 0.16 0.40 -0.75 4.36 4.04 3mt1A1 GLN 362 HB2 -0.05 0.07 0.07 -0.04 2.15 2.20 3mt1A1 GLN 362 HB3 -0.03 -0.04 0.11 -0.04 2.02 2.01 3mt1A1 GLN 362 HG2 -0.05 -0.02 0.00 -0.04 2.40 2.29 3mt1A1 GLN 362 HG3 -0.09 0.04 0.05 -0.04 2.39 2.34 3mt1A1 GLN 362 HE21 0.01 -0.04 -0.05 -0.04 6.97 6.84 3mt1A1 GLN 362 HE22 -0.02 -0.04 -0.03 -0.04 7.69 7.56 3mt1A1 SER 363 H -0.30 0.45 -0.50 -0.55 8.46 7.56 3mt1A1 SER 363 HA -0.01 0.07 0.63 -0.75 4.49 4.43 3mt1A1 SER 363 HB2 0.13 -0.09 0.10 -0.04 3.95 4.05 3mt1A1 SER 363 HB3 -0.03 0.10 0.10 -0.04 3.93 4.05 3mt1A1 LEU 364 H -0.25 0.33 -0.23 -0.55 8.37 7.67 3mt1A1 LEU 364 HA -0.11 0.11 0.67 -0.75 4.35 4.27 3mt1A1 LEU 364 HB2 -0.36 0.16 0.12 -0.04 1.64 1.52 3mt1A1 LEU 364 HB3 -0.19 -0.09 0.01 -0.04 1.64 1.33 3mt1A1 LEU 364 HG -0.47 0.07 -0.11 -0.04 1.64 1.09 3mt1A1 LEU 364 HD13 -0.64 -0.03 -0.05 -0.04 0.93 0.17 3mt1A1 LEU 364 HD23 -0.09 -0.00 -0.03 -0.04 0.89 0.73 3mt1A1 SER 365 H -0.13 0.36 -0.05 -0.55 8.46 8.10 3mt1A1 SER 365 HA -0.05 0.12 -0.00 -0.75 4.49 3.80 3mt1A1 SER 365 HB2 -0.07 -0.03 -0.12 -0.04 3.95 3.69 3mt1A1 SER 365 HB3 -0.04 -0.05 0.07 -0.04 3.93 3.86