============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 17 1.000 -21.969 -8.371 23.620 -99.200 -91.000 PHE 24 1.000 -6.163 -12.393 12.831 -99.200 -91.000 PHE 34 1.000 -11.496 -18.065 16.205 -99.200 -91.000 TYR 36 0.840 -17.603 -14.431 15.098 -99.200 -91.000 PHE 42 1.000 -15.765 -5.233 15.611 -99.200 -91.000 PHE 48 1.000 -5.788 7.162 19.863 -99.200 -91.000 PHE 51 1.000 -1.840 -0.265 17.468 -99.200 -91.000 TYR 73 0.840 1.507 18.952 31.074 -99.200 -91.000 TYR 80 0.840 -13.867 12.440 32.372 -99.200 -91.000 HIS 81 0.900 -8.838 8.426 32.468 -99.200 -91.000 TYR 88 0.840 4.079 13.399 37.835 -99.200 -91.000 TYR 105 0.840 -1.363 5.123 35.247 -99.200 -91.000 PHE 118 1.000 6.474 16.127 21.499 -99.200 -91.000 PHE 128 1.000 3.968 4.307 14.160 -99.200 -91.000 PHE 137 1.000 -4.707 3.748 13.709 -99.200 -91.000 TRP 142 1.040 -7.468 16.369 17.262 -99.200 -91.000 TRP6 142 1.020 -5.215 16.805 17.816 -99.200 -91.000 TYR 184 0.840 4.783 -0.879 21.869 -99.200 -91.000 TRP 187 1.040 6.757 2.551 28.324 -99.200 -91.000 TRP6 187 1.020 6.958 4.125 26.571 -99.200 -91.000 TRP 206 1.040 0.122 -18.704 30.545 -99.200 -91.000 TRP6 206 1.020 -1.052 -19.160 28.555 -99.200 -91.000 TYR 218 0.840 -24.339 4.035 19.885 -99.200 -91.000 TYR 224 0.840 -3.870 -2.832 21.219 -99.200 -91.000 TRP 228 1.040 5.990 -12.114 25.917 -99.200 -91.000 TRP6 228 1.020 5.085 -9.951 26.252 -99.200 -91.000 TYR 240 0.840 -10.252 -3.462 18.630 -99.200 -91.000 HIS 250 0.900 -17.063 -0.877 29.278 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1dy6A1 ASN 24 HA 0.02 -0.02 0.26 -0.75 4.76 4.27 1dy6A1 LYS 25 H -0.01 0.22 0.12 -0.55 8.42 8.20 1dy6A1 LYS 25 HA -0.04 -0.02 0.41 -0.75 4.32 3.92 1dy6A1 SER 26 H 0.01 0.10 -0.91 -0.55 8.46 7.12 1dy6A1 SER 26 HA -0.06 0.12 0.83 -0.75 4.49 4.62 1dy6A1 SER 26 HB2 0.13 0.14 0.11 -0.04 3.95 4.29 1dy6A1 SER 26 HB3 0.08 0.03 0.11 -0.04 3.93 4.11 1dy6A1 ASP 27 H 0.06 0.47 0.26 -0.55 8.40 8.64 1dy6A1 ASP 27 HA 0.12 0.05 0.53 -0.75 4.63 4.58 1dy6A1 ASP 27 HB2 0.04 0.07 0.14 -0.04 2.71 2.92 1dy6A1 ASP 27 HB3 0.05 -0.02 0.07 -0.04 2.70 2.76 1dy6A1 ALA 28 H 0.01 0.32 -0.26 -0.55 8.40 7.92 1dy6A1 ALA 28 HA 0.00 0.08 0.49 -0.75 4.34 4.16 1dy6A1 ALA 28 HB3 -0.03 0.03 -0.02 -0.04 1.41 1.36 1dy6A1 ALA 29 H -0.09 0.29 -0.32 -0.55 8.40 7.73 1dy6A1 ALA 29 HA -0.16 0.02 0.35 -0.75 4.34 3.79 1dy6A1 ALA 29 HB3 -0.56 0.08 0.12 -0.04 1.41 1.01 1dy6A1 ALA 30 H 0.13 0.48 -0.30 -0.55 8.40 8.17 1dy6A1 ALA 30 HA 0.24 0.02 0.46 -0.75 4.34 4.30 1dy6A1 ALA 30 HB3 0.36 0.03 0.11 -0.04 1.41 1.86 1dy6A1 LYS 31 H 0.05 0.37 -0.36 -0.55 8.42 7.93 1dy6A1 LYS 31 HA 0.06 0.02 0.53 -0.75 4.32 4.17 1dy6A1 LYS 31 HB2 0.02 0.17 0.31 -0.04 1.87 2.32 1dy6A1 LYS 31 HB3 0.01 -0.02 0.00 -0.04 1.79 1.74 1dy6A1 LYS 31 HG2 0.02 -0.03 0.04 -0.04 1.46 1.45 1dy6A1 LYS 31 HG3 0.04 -0.05 0.07 -0.04 1.46 1.47 1dy6A1 LYS 31 HD2 0.07 -0.06 0.03 -0.04 1.69 1.69 1dy6A1 LYS 31 HD3 0.06 0.31 0.12 -0.04 1.68 2.13 1dy6A1 LYS 31 HE2 0.03 -0.02 -0.03 -0.04 2.99 2.94 1dy6A1 LYS 31 HE3 0.04 -0.03 0.01 -0.04 2.99 2.96 1dy6A1 GLN 32 H -0.03 0.59 -0.08 -0.55 8.47 8.41 1dy6A1 GLN 32 HA -0.04 0.01 0.37 -0.75 4.36 3.95 1dy6A1 GLN 32 HB2 -0.09 0.17 0.11 -0.04 2.15 2.30 1dy6A1 GLN 32 HB3 -0.07 -0.04 0.01 -0.04 2.02 1.88 1dy6A1 GLN 32 HG2 -0.04 -0.06 0.00 -0.04 2.40 2.26 1dy6A1 GLN 32 HG3 -0.05 0.37 0.04 -0.04 2.39 2.70 1dy6A1 GLN 32 HE21 -0.07 0.01 -0.04 -0.04 6.97 6.83 1dy6A1 GLN 32 HE22 -0.06 -0.03 -0.03 -0.04 7.69 7.54 1dy6A1 ILE 33 H -0.13 0.42 -0.28 -0.55 8.25 7.72 1dy6A1 ILE 33 HA -0.17 0.03 0.41 -0.75 4.18 3.70 1dy6A1 ILE 33 HB -0.81 0.08 0.11 -0.04 1.89 1.23 1dy6A1 ILE 33 HG12 -0.09 0.34 0.09 -0.04 1.49 1.79 1dy6A1 ILE 33 HG13 0.06 -0.06 -0.07 -0.04 1.21 1.11 1dy6A1 ILE 33 HG23 -0.47 -0.02 -0.10 -0.04 0.93 0.30 1dy6A1 ILE 33 HD13 -0.04 -0.01 -0.02 -0.04 0.88 0.76 1dy6A1 LYS 34 H -0.16 0.49 -0.22 -0.55 8.42 7.98 1dy6A1 LYS 34 HA 0.08 -0.00 0.42 -0.75 4.32 4.06 1dy6A1 LYS 34 HB2 0.15 0.11 0.22 -0.04 1.87 2.31 1dy6A1 LYS 34 HB3 0.06 0.13 0.19 -0.04 1.79 2.13 1dy6A1 LYS 34 HG2 0.10 -0.03 -0.06 -0.04 1.46 1.44 1dy6A1 LYS 34 HG3 0.20 -0.04 0.09 -0.04 1.46 1.68 1dy6A1 LYS 34 HD2 0.11 -0.03 0.03 -0.04 1.69 1.76 1dy6A1 LYS 34 HD3 0.14 0.01 0.05 -0.04 1.68 1.84 1dy6A1 LYS 34 HE2 0.07 -0.02 -0.02 -0.04 2.99 2.98 1dy6A1 LYS 34 HE3 0.07 -0.02 0.01 -0.04 2.99 3.00 1dy6A1 LYS 35 H -0.02 0.48 -0.24 -0.55 8.42 8.09 1dy6A1 LYS 35 HA 0.03 0.01 0.42 -0.75 4.32 4.03 1dy6A1 LYS 35 HB2 0.00 0.06 0.11 -0.04 1.87 1.99 1dy6A1 LYS 35 HB3 -0.02 0.14 0.13 -0.04 1.79 2.00 1dy6A1 LYS 35 HG2 -0.00 -0.01 -0.09 -0.04 1.46 1.32 1dy6A1 LYS 35 HG3 0.01 -0.05 0.07 -0.04 1.46 1.46 1dy6A1 LYS 35 HD2 0.01 -0.00 -0.00 -0.04 1.69 1.65 1dy6A1 LYS 35 HD3 -0.01 0.01 -0.01 -0.04 1.68 1.63 1dy6A1 LYS 35 HE2 -0.00 -0.00 -0.02 -0.04 2.99 2.92 1dy6A1 LYS 35 HE3 0.01 -0.01 -0.01 -0.04 2.99 2.94 1dy6A1 LEU 36 H -0.06 0.46 -0.22 -0.55 8.37 8.00 1dy6A1 LEU 36 HA -0.07 -0.01 0.36 -0.75 4.35 3.88 1dy6A1 LEU 36 HB2 -0.10 0.21 0.19 -0.04 1.64 1.89 1dy6A1 LEU 36 HB3 -0.14 0.07 0.05 -0.04 1.64 1.58 1dy6A1 LEU 36 HG -0.25 -0.07 -0.00 -0.04 1.64 1.27 1dy6A1 LEU 36 HD13 -0.10 -0.01 -0.01 -0.04 0.93 0.77 1dy6A1 LEU 36 HD23 -0.13 -0.01 -0.08 -0.04 0.89 0.63 1dy6A1 GLU 37 H 0.04 0.47 -0.24 -0.55 8.60 8.32 1dy6A1 GLU 37 HA 0.40 0.03 0.49 -0.75 4.29 4.45 1dy6A1 GLU 37 HB2 0.31 0.23 -0.01 -0.04 2.09 2.58 1dy6A1 GLU 37 HB3 0.31 -0.12 -0.05 -0.04 1.99 2.09 1dy6A1 GLU 37 HG2 0.09 0.29 0.16 -0.04 2.34 2.84 1dy6A1 GLU 37 HG3 0.16 0.20 0.14 -0.04 2.34 2.80 1dy6A1 GLU 38 H 0.11 0.37 -0.21 -0.55 8.60 8.32 1dy6A1 GLU 38 HA 0.12 0.05 0.55 -0.75 4.29 4.25 1dy6A1 GLU 38 HB2 0.07 0.14 0.24 -0.04 2.09 2.50 1dy6A1 GLU 38 HB3 0.07 -0.05 0.02 -0.04 1.99 1.99 1dy6A1 GLU 38 HG2 0.08 -0.05 0.06 -0.04 2.34 2.39 1dy6A1 GLU 38 HG3 0.09 0.31 0.12 -0.04 2.34 2.82 1dy6A1 ASP 39 H 0.09 0.58 -0.00 -0.55 8.40 8.52 1dy6A1 ASP 39 HA 0.08 0.01 0.37 -0.75 4.63 4.33 1dy6A1 ASP 39 HB2 0.04 0.11 0.11 -0.04 2.71 2.92 1dy6A1 ASP 39 HB3 0.05 -0.05 -0.04 -0.04 2.70 2.62 1dy6A1 PHE 40 H 0.45 0.28 -0.31 -0.55 8.34 8.20 1dy6A1 PHE 40 HA 0.02 0.18 0.87 -0.75 4.62 4.94 1dy6A1 PHE 40 HB2 0.03 -0.04 0.09 -0.04 3.15 3.20 1dy6A1 PHE 40 HB3 0.03 -0.04 -0.01 -0.04 3.06 3.00 1dy6A1 PHE 40 HD2 0.05 0.01 -0.04 -0.04 7.28 7.26 1dy6A1 PHE 40 HE2 0.08 -0.05 -0.14 -0.04 7.38 7.23 1dy6A1 PHE 40 HZ 0.10 0.05 -0.09 -0.04 7.32 7.34 1dy6A1 ASP 41 H 0.20 0.27 -0.48 -0.55 8.40 7.84 1dy6A1 ASP 41 HA 0.04 0.09 0.45 -0.75 4.63 4.45 1dy6A1 ASP 41 HB2 0.01 0.04 -0.11 -0.04 2.71 2.60 1dy6A1 ASP 41 HB3 -0.06 -0.01 0.22 -0.04 2.70 2.81 1dy6A1 GLY 42 H 0.05 0.54 0.12 -0.55 8.43 8.60 1dy6A1 GLY 42 HA2 -0.21 0.02 0.88 -0.51 4.01 4.20 1dy6A1 GLY 42 HA3 -0.84 0.06 0.41 -0.51 4.01 3.13 1dy6A1 ARG 43 H 0.20 0.67 0.37 -0.55 8.46 9.16 1dy6A1 ARG 43 HA 0.29 0.10 0.88 -0.75 4.34 4.86 1dy6A1 ARG 43 HB2 0.12 -0.00 -0.18 -0.04 1.90 1.79 1dy6A1 ARG 43 HB3 0.30 -0.04 0.07 -0.04 1.80 2.09 1dy6A1 ARG 43 HG2 0.24 0.02 -0.08 -0.04 1.67 1.81 1dy6A1 ARG 43 HG3 0.15 0.01 0.04 -0.04 1.67 1.84 1dy6A1 ARG 43 HD2 -0.02 -0.02 -0.05 -0.04 3.22 3.09 1dy6A1 ARG 43 HD3 -0.05 -0.00 -0.08 -0.04 3.22 3.05 1dy6A1 ILE 44 H 0.39 0.18 0.17 -0.55 8.25 8.45 1dy6A1 ILE 44 HA 0.22 0.31 1.16 -0.75 4.18 5.13 1dy6A1 ILE 44 HB 0.16 -0.03 0.06 -0.04 1.89 2.04 1dy6A1 ILE 44 HG12 0.08 0.05 -0.13 -0.04 1.49 1.45 1dy6A1 ILE 44 HG13 0.27 -0.09 -0.31 -0.04 1.21 1.04 1dy6A1 ILE 44 HG23 0.04 -0.01 -0.16 -0.04 0.93 0.77 1dy6A1 ILE 44 HD13 -0.18 0.03 -0.16 -0.04 0.88 0.53 1dy6A1 GLY 45 H -0.23 0.80 0.39 -0.55 8.43 8.85 1dy6A1 GLY 45 HA2 0.17 0.27 0.99 -0.51 4.01 4.94 1dy6A1 GLY 45 HA3 -0.54 0.02 0.34 -0.51 4.01 3.33 1dy6A1 VAL 46 H 0.16 0.62 0.34 -0.55 8.24 8.82 1dy6A1 VAL 46 HA 0.12 0.45 1.22 -0.75 4.13 5.17 1dy6A1 VAL 46 HB 0.19 -0.10 0.03 -0.04 2.12 2.20 1dy6A1 VAL 46 HG13 0.22 0.01 -0.17 -0.04 0.97 0.99 1dy6A1 VAL 46 HG23 0.11 -0.00 -0.25 -0.04 0.95 0.77 1dy6A1 PHE 47 H 0.19 0.47 0.28 -0.55 8.34 8.73 1dy6A1 PHE 47 HA 0.00 0.32 0.75 -0.75 4.62 4.93 1dy6A1 PHE 47 HB2 0.01 -0.10 -0.27 -0.04 3.15 2.75 1dy6A1 PHE 47 HB3 0.04 0.04 -0.05 -0.04 3.06 3.05 1dy6A1 PHE 47 HD2 -0.02 -0.06 -0.04 -0.04 7.28 7.12 1dy6A1 PHE 47 HE2 -0.02 -0.01 -0.11 -0.04 7.38 7.20 1dy6A1 PHE 47 HZ -0.01 0.03 -0.06 -0.04 7.32 7.24 1dy6A1 ALA 48 H -0.45 0.60 0.39 -0.55 8.40 8.40 1dy6A1 ALA 48 HA 0.01 0.41 1.16 -0.75 4.34 5.17 1dy6A1 ALA 48 HB3 0.03 -0.01 -0.01 -0.04 1.41 1.37 1dy6A1 ILE 49 H -0.01 0.63 0.40 -0.55 8.25 8.72 1dy6A1 ILE 49 HA -0.07 0.28 0.99 -0.75 4.18 4.63 1dy6A1 ILE 49 HB 0.03 -0.10 0.11 -0.04 1.89 1.89 1dy6A1 ILE 49 HG12 0.19 0.08 -0.19 -0.04 1.49 1.52 1dy6A1 ILE 49 HG13 0.19 -0.06 -0.39 -0.04 1.21 0.91 1dy6A1 ILE 49 HG23 0.04 0.01 -0.26 -0.04 0.93 0.67 1dy6A1 ILE 49 HD13 0.20 0.00 -0.18 -0.04 0.88 0.86 1dy6A1 ASP 50 H -0.02 0.80 0.20 -0.55 8.40 8.83 1dy6A1 ASP 50 HA -0.03 0.19 0.87 -0.75 4.63 4.90 1dy6A1 ASP 50 HB2 -0.01 0.20 0.16 -0.04 2.71 3.01 1dy6A1 ASP 50 HB3 -0.01 -0.15 0.31 -0.04 2.70 2.80 1dy6A1 THR 51 H -0.05 0.62 0.14 -0.55 8.28 8.45 1dy6A1 THR 51 HA -0.01 0.03 0.37 -0.75 4.39 4.03 1dy6A1 THR 51 HB -0.01 -0.01 0.06 -0.04 4.32 4.32 1dy6A1 THR 51 HG23 -0.04 0.01 -0.11 -0.04 1.22 1.03 1dy6A1 GLY 52 H -0.03 0.13 -0.34 -0.55 8.43 7.63 1dy6A1 GLY 52 HA2 -0.01 0.13 0.46 -0.51 4.01 4.08 1dy6A1 GLY 52 HA3 -0.02 -0.02 0.30 -0.51 4.01 3.75 1dy6A1 SER 53 H -0.01 0.19 -0.20 -0.55 8.46 7.89 1dy6A1 SER 53 HA -0.00 0.25 0.99 -0.75 4.49 4.97 1dy6A1 SER 53 HB2 -0.00 0.01 0.09 -0.04 3.95 4.01 1dy6A1 SER 53 HB3 -0.01 0.02 -0.11 -0.04 3.93 3.80 1dy6A1 GLY 54 H -0.00 0.51 0.19 -0.55 8.43 8.57 1dy6A1 GLY 54 HA2 0.01 0.01 0.32 -0.51 4.01 3.84 1dy6A1 GLY 54 HA3 0.01 0.12 0.60 -0.51 4.01 4.23 1dy6A1 ASN 55 H 0.00 -0.02 -0.31 -0.55 8.53 7.65 1dy6A1 ASN 55 HA 0.01 0.06 0.48 -0.75 4.76 4.55 1dy6A1 ASN 55 HB2 -0.00 -0.04 0.08 -0.04 2.88 2.88 1dy6A1 ASN 55 HB3 0.00 0.09 0.01 -0.04 2.79 2.85 1dy6A1 ASN 55 HD21 0.01 0.00 -0.02 -0.04 7.03 6.98 1dy6A1 ASN 55 HD22 0.01 0.00 -0.01 -0.04 7.74 7.71 1dy6A1 THR 56 H -0.00 0.20 0.27 -0.55 8.28 8.20 1dy6A1 THR 56 HA -0.13 0.26 0.98 -0.75 4.39 4.75 1dy6A1 THR 56 HB -0.49 -0.03 0.11 -0.04 4.32 3.88 1dy6A1 THR 56 HG23 0.04 0.05 -0.17 -0.04 1.22 1.10 1dy6A1 PHE 57 H -0.38 0.51 0.31 -0.55 8.34 8.23 1dy6A1 PHE 57 HA -0.10 0.12 0.71 -0.75 4.62 4.60 1dy6A1 PHE 57 HB2 -0.08 0.15 -0.16 -0.04 3.15 3.02 1dy6A1 PHE 57 HB3 -0.12 -0.02 0.02 -0.04 3.06 2.89 1dy6A1 PHE 57 HD2 -0.02 -0.02 -0.05 -0.04 7.28 7.15 1dy6A1 PHE 57 HE2 0.03 0.03 -0.09 -0.04 7.38 7.32 1dy6A1 PHE 57 HZ 0.04 -0.06 -0.28 -0.04 7.32 6.99 1dy6A1 GLY 59 H -0.69 0.27 0.18 -0.55 8.43 7.64 1dy6A1 GLY 59 HA2 -0.24 0.37 0.91 -0.51 4.01 4.53 1dy6A1 GLY 59 HA3 -0.03 -0.05 0.34 -0.51 4.01 3.77 1dy6A1 TYR 60 H 0.01 0.67 0.29 -0.55 8.29 8.71 1dy6A1 TYR 60 HA -0.10 0.11 0.81 -0.75 4.56 4.63 1dy6A1 TYR 60 HB2 -0.12 0.05 -0.14 -0.04 3.06 2.81 1dy6A1 TYR 60 HB3 0.01 -0.05 0.13 -0.04 2.98 3.04 1dy6A1 TYR 60 HD2 0.09 0.11 0.03 -0.04 7.15 7.34 1dy6A1 TYR 60 HE2 0.10 0.02 0.05 -0.04 6.85 6.99 1dy6A1 ARG 61 H -0.33 0.19 0.18 -0.55 8.46 7.95 1dy6A1 ARG 61 HA -0.08 0.01 0.39 -0.75 4.34 3.91 1dy6A1 ARG 61 HB2 0.22 0.29 0.20 -0.04 1.90 2.57 1dy6A1 ARG 61 HB3 0.23 -0.02 0.24 -0.04 1.80 2.20 1dy6A1 ARG 61 HG2 -0.19 -0.04 0.09 -0.04 1.67 1.49 1dy6A1 ARG 61 HG3 -0.62 -0.03 -0.05 -0.04 1.67 0.93 1dy6A1 ARG 61 HD2 0.38 0.23 -0.02 -0.04 3.22 3.78 1dy6A1 ARG 61 HD3 0.14 -0.03 0.00 -0.04 3.22 3.29 1dy6A1 SER 62 H 0.01 0.05 -0.33 -0.55 8.46 7.64 1dy6A1 SER 62 HA 0.09 0.15 0.38 -0.75 4.49 4.35 1dy6A1 SER 62 HB2 0.04 -0.07 0.08 -0.04 3.95 3.95 1dy6A1 SER 62 HB3 0.25 0.16 0.17 -0.04 3.93 4.47 1dy6A1 ASP 63 H -0.00 0.04 -0.28 -0.55 8.40 7.62 1dy6A1 ASP 63 HA -0.04 0.14 0.87 -0.75 4.63 4.84 1dy6A1 ASP 63 HB2 -0.03 -0.01 -0.00 -0.04 2.71 2.62 1dy6A1 ASP 63 HB3 -0.04 0.05 0.10 -0.04 2.70 2.77 1dy6A1 GLU 64 H 0.08 0.25 -0.27 -0.55 8.60 8.12 1dy6A1 GLU 64 HA -0.05 0.08 0.62 -0.75 4.29 4.19 1dy6A1 GLU 64 HB2 0.14 0.19 0.11 -0.04 2.09 2.49 1dy6A1 GLU 64 HB3 -0.21 0.10 0.00 -0.04 1.99 1.84 1dy6A1 GLU 64 HG2 -0.06 0.02 -0.03 -0.04 2.34 2.23 1dy6A1 GLU 64 HG3 -0.01 -0.21 -0.00 -0.04 2.34 2.08 1dy6A1 ARG 65 H -0.12 0.07 0.10 -0.55 8.46 7.96 1dy6A1 ARG 65 HA 0.01 0.30 0.49 -0.75 4.34 4.39 1dy6A1 ARG 65 HB2 -0.11 -0.04 0.01 -0.04 1.90 1.71 1dy6A1 ARG 65 HB3 -0.07 0.02 -0.10 -0.04 1.80 1.62 1dy6A1 ARG 65 HG2 -0.05 -0.01 -0.24 -0.04 1.67 1.33 1dy6A1 ARG 65 HG3 -0.06 -0.03 -0.03 -0.04 1.67 1.50 1dy6A1 ARG 65 HD2 -0.06 -0.04 -0.07 -0.04 3.22 3.01 1dy6A1 ARG 65 HD3 -0.07 0.04 -0.12 -0.04 3.22 3.04 1dy6A1 PHE 66 H 0.12 0.57 0.33 -0.55 8.34 8.81 1dy6A1 PHE 66 HA 0.05 0.16 0.69 -0.75 4.62 4.76 1dy6A1 PHE 66 HB2 0.00 -0.06 -0.08 -0.04 3.15 2.97 1dy6A1 PHE 66 HB3 0.25 0.07 -0.09 -0.04 3.06 3.25 1dy6A1 PHE 66 HD2 0.07 0.07 -0.30 -0.04 7.28 7.08 1dy6A1 PHE 66 HE2 0.10 0.08 -0.20 -0.04 7.38 7.32 1dy6A1 PHE 66 HZ 0.12 -0.02 -0.41 -0.04 7.32 6.97 1dy6A1 PRO 67 HA 0.08 0.22 0.55 -0.51 4.44 4.78 1dy6A1 PRO 67 HB2 0.16 -0.04 0.02 -0.04 2.28 2.39 1dy6A1 PRO 67 HB3 0.09 0.01 0.12 -0.04 2.02 2.19 1dy6A1 PRO 67 HG2 0.07 0.08 0.04 -0.04 2.03 2.17 1dy6A1 PRO 67 HG3 0.03 0.11 -0.04 -0.04 2.03 2.09 1dy6A1 PRO 67 HD2 0.24 0.12 0.12 -0.04 3.68 4.12 1dy6A1 PRO 67 HD3 0.05 0.15 0.07 -0.04 3.65 3.89 1dy6A1 LEU 68 H 0.10 0.67 0.38 -0.55 8.37 8.97 1dy6A1 LEU 68 HA 0.46 0.11 0.50 -0.75 4.35 4.66 1dy6A1 LEU 68 HB2 0.11 0.09 0.08 -0.04 1.64 1.87 1dy6A1 LEU 68 HB3 0.35 -0.19 -0.11 -0.04 1.64 1.65 1dy6A1 LEU 68 HG -0.01 0.02 -0.31 -0.04 1.64 1.30 1dy6A1 LEU 68 HD13 -0.38 -0.02 -0.19 -0.04 0.93 0.30 1dy6A1 LEU 68 HD23 0.33 -0.02 -0.21 -0.04 0.89 0.94 1dy6A1 CYS 69 H 0.16 0.18 -0.01 -0.55 8.50 8.28 1dy6A1 CYS 69 HA 0.16 0.11 0.18 -0.75 4.58 4.27 1dy6A1 CYS 69 HB2 0.11 0.08 0.05 -0.04 2.97 3.17 1dy6A1 CYS 69 HB3 0.11 -0.07 -0.09 -0.04 2.97 2.88 1dy6A1 SER 70 H 0.11 0.04 0.15 -0.55 8.46 8.21 1dy6A1 SER 70 HA 0.23 0.12 0.60 -0.75 4.49 4.69 1dy6A1 SER 70 HB2 0.03 -0.05 0.18 -0.04 3.95 4.08 1dy6A1 SER 70 HB3 -0.01 0.07 0.21 -0.04 3.93 4.16 1dy6A1 SER 71 H 0.16 0.44 -0.36 -0.55 8.46 8.15 1dy6A1 SER 71 HA -0.09 0.21 0.21 -0.75 4.49 4.06 1dy6A1 SER 71 HB2 0.01 0.02 -0.09 -0.04 3.95 3.85 1dy6A1 SER 71 HB3 -0.03 -0.05 -0.29 -0.04 3.93 3.53 1dy6A1 PHE 72 H 0.44 0.25 -0.51 -0.55 8.34 7.97 1dy6A1 PHE 72 HA 0.44 0.07 0.23 -0.75 4.62 4.61 1dy6A1 PHE 72 HB2 0.61 0.00 -0.03 -0.04 3.15 3.69 1dy6A1 PHE 72 HB3 0.28 0.06 -0.05 -0.04 3.06 3.30 1dy6A1 PHE 72 HD2 0.21 0.17 -0.12 -0.04 7.28 7.49 1dy6A1 PHE 72 HE2 0.08 -0.02 -0.13 -0.04 7.38 7.28 1dy6A1 PHE 72 HZ 0.07 -0.07 -0.09 -0.04 7.32 7.18 1dy6A1 LYS 73 H -0.50 0.50 -0.56 -0.55 8.42 7.30 1dy6A1 LYS 73 HA -0.47 -0.04 0.33 -0.75 4.32 3.38 1dy6A1 LYS 73 HB2 -0.25 0.23 0.08 -0.04 1.87 1.89 1dy6A1 LYS 73 HB3 -0.21 -0.00 -0.11 -0.04 1.79 1.42 1dy6A1 LYS 73 HG2 -0.48 -0.13 -0.01 -0.04 1.46 0.80 1dy6A1 LYS 73 HG3 -1.02 -0.09 0.01 -0.04 1.46 0.32 1dy6A1 LYS 73 HD2 -0.14 0.12 0.14 -0.04 1.69 1.76 1dy6A1 LYS 73 HD3 -0.12 0.11 0.01 -0.04 1.68 1.64 1dy6A1 LYS 73 HE2 0.01 -0.10 -0.06 -0.04 2.99 2.79 1dy6A1 LYS 73 HE3 -0.01 -0.09 0.02 -0.04 2.99 2.86 1dy6A1 GLY 74 H -0.08 0.54 -0.32 -0.55 8.43 8.02 1dy6A1 GLY 74 HA2 0.10 0.08 0.52 -0.51 4.01 4.21 1dy6A1 GLY 74 HA3 0.06 0.12 0.24 -0.51 4.01 3.93 1dy6A1 PHE 75 H 0.04 0.36 -0.27 -0.55 8.34 7.91 1dy6A1 PHE 75 HA 0.20 0.12 0.57 -0.75 4.62 4.76 1dy6A1 PHE 75 HB2 0.18 0.16 0.04 -0.04 3.15 3.49 1dy6A1 PHE 75 HB3 0.11 -0.00 -0.03 -0.04 3.06 3.09 1dy6A1 PHE 75 HD2 0.24 0.00 -0.11 -0.04 7.28 7.37 1dy6A1 PHE 75 HE2 0.03 -0.01 -0.18 -0.04 7.38 7.18 1dy6A1 PHE 75 HZ -0.38 0.10 -0.02 -0.04 7.32 6.98 1dy6A1 LEU 76 H 0.15 0.26 -0.18 -0.55 8.37 8.05 1dy6A1 LEU 76 HA 0.06 0.06 0.39 -0.75 4.35 4.11 1dy6A1 LEU 76 HB2 0.16 0.00 -0.01 -0.04 1.64 1.75 1dy6A1 LEU 76 HB3 -0.01 0.12 0.10 -0.04 1.64 1.81 1dy6A1 LEU 76 HG 0.06 -0.04 -0.11 -0.04 1.64 1.51 1dy6A1 LEU 76 HD13 0.15 -0.01 -0.06 -0.04 0.93 0.97 1dy6A1 LEU 76 HD23 0.01 0.01 -0.20 -0.04 0.89 0.67 1dy6A1 ALA 77 H 0.13 0.42 -0.32 -0.55 8.40 8.09 1dy6A1 ALA 77 HA 0.18 -0.00 0.36 -0.75 4.34 4.12 1dy6A1 ALA 77 HB3 0.42 0.07 0.01 -0.04 1.41 1.87 1dy6A1 ALA 78 H 0.13 0.24 -0.47 -0.55 8.40 7.75 1dy6A1 ALA 78 HA -0.31 0.03 0.34 -0.75 4.34 3.65 1dy6A1 ALA 78 HB3 -0.29 0.06 0.01 -0.04 1.41 1.15 1dy6A1 ALA 79 H -0.35 0.52 -0.21 -0.55 8.40 7.82 1dy6A1 ALA 79 HA -1.34 0.05 0.36 -0.75 4.34 2.66 1dy6A1 ALA 79 HB3 -0.88 0.04 0.05 -0.04 1.41 0.58 1dy6A1 VAL 80 H -0.10 0.44 -0.40 -0.55 8.24 7.63 1dy6A1 VAL 80 HA -0.05 0.04 0.36 -0.75 4.13 3.72 1dy6A1 VAL 80 HB 0.11 0.19 0.09 -0.04 2.12 2.48 1dy6A1 VAL 80 HG13 0.04 -0.02 -0.19 -0.04 0.97 0.75 1dy6A1 VAL 80 HG23 0.05 0.04 -0.04 -0.04 0.95 0.95 1dy6A1 LEU 81 H -0.02 0.44 -0.24 -0.55 8.37 8.01 1dy6A1 LEU 81 HA -0.03 -0.03 0.42 -0.75 4.35 3.97 1dy6A1 LEU 81 HB2 -0.13 0.17 0.13 -0.04 1.64 1.78 1dy6A1 LEU 81 HB3 -0.12 -0.08 0.01 -0.04 1.64 1.40 1dy6A1 LEU 81 HG 0.06 0.14 -0.00 -0.04 1.64 1.80 1dy6A1 LEU 81 HD13 -0.45 0.03 -0.06 -0.04 0.93 0.41 1dy6A1 LEU 81 HD23 -0.25 -0.03 -0.00 -0.04 0.89 0.56 1dy6A1 GLU 82 H -0.11 0.41 -0.43 -0.55 8.60 7.93 1dy6A1 GLU 82 HA -0.01 0.05 0.57 -0.75 4.29 4.14 1dy6A1 GLU 82 HB2 0.07 0.04 0.03 -0.04 2.09 2.19 1dy6A1 GLU 82 HB3 -0.03 0.14 0.10 -0.04 1.99 2.17 1dy6A1 GLU 82 HG2 0.05 -0.06 -0.14 -0.04 2.34 2.14 1dy6A1 GLU 82 HG3 0.06 0.04 0.05 -0.04 2.34 2.45 1dy6A1 ARG 83 H -0.06 0.48 -0.09 -0.55 8.46 8.24 1dy6A1 ARG 83 HA -0.01 0.06 0.40 -0.75 4.34 4.04 1dy6A1 ARG 83 HB2 -0.05 0.10 0.05 -0.04 1.90 1.95 1dy6A1 ARG 83 HB3 -0.02 -0.05 -0.05 -0.04 1.80 1.63 1dy6A1 ARG 83 HG2 -0.06 0.28 0.08 -0.04 1.67 1.92 1dy6A1 ARG 83 HG3 -0.00 0.01 -0.05 -0.04 1.67 1.59 1dy6A1 ARG 83 HD2 0.01 -0.04 0.01 -0.04 3.22 3.16 1dy6A1 ARG 83 HD3 -0.00 -0.04 -0.05 -0.04 3.22 3.08 1dy6A1 VAL 84 H -0.04 0.41 -0.38 -0.55 8.24 7.68 1dy6A1 VAL 84 HA -0.04 0.27 0.49 -0.75 4.13 4.09 1dy6A1 VAL 84 HB -0.03 0.12 0.13 -0.04 2.12 2.30 1dy6A1 VAL 84 HG13 -0.02 -0.04 -0.04 -0.04 0.97 0.83 1dy6A1 VAL 84 HG23 -0.02 0.04 -0.18 -0.04 0.95 0.75 1dy6A1 GLN 85 H -0.03 0.36 -0.27 -0.55 8.47 7.99 1dy6A1 GLN 85 HA -0.02 -0.02 0.48 -0.75 4.36 4.04 1dy6A1 GLN 85 HB2 -0.03 -0.04 0.23 -0.04 2.15 2.27 1dy6A1 GLN 85 HB3 -0.01 0.19 0.31 -0.04 2.02 2.47 1dy6A1 GLN 85 HG2 -0.01 0.08 -0.12 -0.04 2.40 2.31 1dy6A1 GLN 85 HG3 -0.02 -0.08 0.10 -0.04 2.39 2.36 1dy6A1 GLN 85 HE21 -0.01 0.13 0.01 -0.04 6.97 7.06 1dy6A1 GLN 85 HE22 -0.00 0.03 0.02 -0.04 7.69 7.70 1dy6A1 GLN 86 H -0.01 0.56 -0.09 -0.55 8.47 8.38 1dy6A1 GLN 86 HA -0.00 0.06 0.48 -0.75 4.36 4.15 1dy6A1 GLN 86 HB2 0.00 -0.02 0.11 -0.04 2.15 2.20 1dy6A1 GLN 86 HB3 0.01 -0.03 0.16 -0.04 2.02 2.12 1dy6A1 GLN 86 HG2 0.01 -0.03 0.03 -0.04 2.40 2.37 1dy6A1 GLN 86 HG3 0.01 0.26 0.13 -0.04 2.39 2.75 1dy6A1 GLN 86 HE21 0.04 -0.02 -0.03 -0.04 6.97 6.92 1dy6A1 GLN 86 HE22 0.03 0.02 -0.00 -0.04 7.69 7.69 1dy6A1 LYS 87 H -0.01 0.20 -1.13 -0.55 8.42 6.92 1dy6A1 LYS 87 HA -0.01 0.13 0.28 -0.75 4.32 3.96 1dy6A1 LYS 87 HB2 -0.00 0.12 -0.12 -0.04 1.87 1.83 1dy6A1 LYS 87 HB3 -0.01 -0.09 0.17 -0.04 1.79 1.82 1dy6A1 LYS 87 HG2 -0.01 0.04 0.07 -0.04 1.46 1.52 1dy6A1 LYS 87 HG3 -0.01 0.14 -0.11 -0.04 1.46 1.43 1dy6A1 LYS 87 HD2 -0.01 -0.05 0.02 -0.04 1.69 1.62 1dy6A1 LYS 87 HD3 -0.00 -0.01 -0.01 -0.04 1.68 1.61 1dy6A1 LYS 87 HE2 -0.00 0.01 0.03 -0.04 2.99 2.99 1dy6A1 LYS 87 HE3 -0.01 -0.02 0.03 -0.04 2.99 2.95 1dy6A1 LYS 88 H -0.01 0.38 -0.30 -0.55 8.42 7.94 1dy6A1 LYS 88 HA 0.00 0.08 0.49 -0.75 4.32 4.13 1dy6A1 LYS 88 HB2 -0.00 -0.01 0.07 -0.04 1.87 1.89 1dy6A1 LYS 88 HB3 0.02 -0.04 0.05 -0.04 1.79 1.77 1dy6A1 LYS 88 HG2 0.01 -0.01 -0.00 -0.04 1.46 1.42 1dy6A1 LYS 88 HG3 0.01 0.10 -0.08 -0.04 1.46 1.44 1dy6A1 LYS 88 HD2 0.02 -0.03 0.01 -0.04 1.69 1.65 1dy6A1 LYS 88 HD3 0.02 -0.02 0.01 -0.04 1.68 1.65 1dy6A1 LYS 88 HE2 0.02 0.00 0.01 -0.04 2.99 2.97 1dy6A1 LYS 88 HE3 0.01 0.02 0.02 -0.04 2.99 3.00 1dy6A1 LEU 89 H -0.03 0.33 -0.21 -0.55 8.37 7.91 1dy6A1 LEU 89 HA -0.07 0.17 0.75 -0.75 4.35 4.44 1dy6A1 LEU 89 HB2 -0.11 -0.05 -0.26 -0.04 1.64 1.17 1dy6A1 LEU 89 HB3 -0.23 -0.02 -0.08 -0.04 1.64 1.27 1dy6A1 LEU 89 HG -0.05 -0.03 -0.42 -0.04 1.64 1.10 1dy6A1 LEU 89 HD13 -0.22 -0.00 -0.09 -0.04 0.93 0.57 1dy6A1 LEU 89 HD23 -0.12 0.07 -0.02 -0.04 0.89 0.78 1dy6A1 ASP 90 H -0.08 0.18 0.12 -0.55 8.40 8.08 1dy6A1 ASP 90 HA -0.03 0.24 0.88 -0.75 4.63 4.97 1dy6A1 ASP 90 HB2 -0.02 0.16 0.04 -0.04 2.71 2.84 1dy6A1 ASP 90 HB3 -0.03 -0.06 0.14 -0.04 2.70 2.71 1dy6A1 ILE 91 H -0.01 0.28 0.14 -0.55 8.25 8.11 1dy6A1 ILE 91 HA 0.00 0.10 0.38 -0.75 4.18 3.90 1dy6A1 ILE 91 HB 0.01 0.10 0.11 -0.04 1.89 2.06 1dy6A1 ILE 91 HG12 0.15 -0.16 0.11 -0.04 1.49 1.55 1dy6A1 ILE 91 HG13 0.13 0.04 -0.01 -0.04 1.21 1.33 1dy6A1 ILE 91 HG23 0.03 0.00 -0.14 -0.04 0.93 0.78 1dy6A1 ILE 91 HD13 0.09 0.03 -0.01 -0.04 0.88 0.95 1dy6A1 ASN 92 H -0.01 0.07 -0.36 -0.55 8.53 7.69 1dy6A1 ASN 92 HA 0.01 0.13 0.87 -0.75 4.76 5.02 1dy6A1 ASN 92 HB2 0.00 0.01 0.00 -0.04 2.88 2.85 1dy6A1 ASN 92 HB3 0.00 0.05 0.09 -0.04 2.79 2.89 1dy6A1 ASN 92 HD21 0.01 0.05 -0.05 -0.04 7.03 7.00 1dy6A1 ASN 92 HD22 0.00 0.02 -0.03 -0.04 7.74 7.69 1dy6A1 GLN 93 H -0.02 0.28 -0.25 -0.55 8.47 7.94 1dy6A1 GLN 93 HA 0.00 0.08 0.51 -0.75 4.36 4.20 1dy6A1 GLN 93 HB2 0.01 0.10 0.08 -0.04 2.15 2.30 1dy6A1 GLN 93 HB3 -0.02 -0.06 0.14 -0.04 2.02 2.04 1dy6A1 GLN 93 HG2 -0.10 0.46 0.22 -0.04 2.40 2.95 1dy6A1 GLN 93 HG3 -0.06 -0.05 -0.09 -0.04 2.39 2.16 1dy6A1 GLN 93 HE21 0.02 0.06 0.02 -0.04 6.97 7.03 1dy6A1 GLN 93 HE22 0.06 0.07 -0.05 -0.04 7.69 7.73 1dy6A1 LYS 94 H 0.02 0.12 0.17 -0.55 8.42 8.18 1dy6A1 LYS 94 HA 0.03 0.07 0.37 -0.75 4.32 4.04 1dy6A1 LYS 94 HB2 0.02 0.00 0.10 -0.04 1.87 1.95 1dy6A1 LYS 94 HB3 0.03 -0.02 0.02 -0.04 1.79 1.79 1dy6A1 LYS 94 HG2 0.01 0.03 -0.11 -0.04 1.46 1.35 1dy6A1 LYS 94 HG3 0.02 -0.03 -0.17 -0.04 1.46 1.24 1dy6A1 LYS 94 HD2 0.00 -0.03 -0.04 -0.04 1.69 1.59 1dy6A1 LYS 94 HD3 -0.01 0.15 -0.09 -0.04 1.68 1.69 1dy6A1 LYS 94 HE2 -0.01 -0.09 -0.31 -0.04 2.99 2.54 1dy6A1 LYS 94 HE3 0.00 -0.01 -0.18 -0.04 2.99 2.77 1dy6A1 VAL 95 H 0.10 0.72 0.23 -0.55 8.24 8.74 1dy6A1 VAL 95 HA 0.18 0.16 0.89 -0.75 4.13 4.61 1dy6A1 VAL 95 HB 0.21 -0.02 0.11 -0.04 2.12 2.37 1dy6A1 VAL 95 HG13 0.25 -0.01 -0.15 -0.04 0.97 1.02 1dy6A1 VAL 95 HG23 0.25 0.02 -0.18 -0.04 0.95 1.00 1dy6A1 LYS 96 H 0.11 0.22 0.08 -0.55 8.42 8.28 1dy6A1 LYS 96 HA -0.06 0.13 0.87 -0.75 4.32 4.51 1dy6A1 LYS 96 HB2 0.03 0.03 0.07 -0.04 1.87 1.96 1dy6A1 LYS 96 HB3 -0.04 -0.06 0.03 -0.04 1.79 1.68 1dy6A1 LYS 96 HG2 -0.04 0.10 -0.18 -0.04 1.46 1.30 1dy6A1 LYS 96 HG3 0.02 -0.04 -0.23 -0.04 1.46 1.17 1dy6A1 LYS 96 HD2 -0.01 0.05 -0.06 -0.04 1.69 1.63 1dy6A1 LYS 96 HD3 0.00 -0.02 -0.04 -0.04 1.68 1.58 1dy6A1 LYS 96 HE2 -0.02 0.01 -0.02 -0.04 2.99 2.92 1dy6A1 LYS 96 HE3 -0.03 -0.09 -0.02 -0.04 2.99 2.80 1dy6A1 TYR 97 H -0.44 0.23 0.11 -0.55 8.29 7.64 1dy6A1 TYR 97 HA 0.01 0.10 0.45 -0.75 4.56 4.37 1dy6A1 TYR 97 HB2 0.01 -0.05 0.15 -0.04 3.06 3.13 1dy6A1 TYR 97 HB3 0.02 0.12 -0.12 -0.04 2.98 2.96 1dy6A1 TYR 97 HD2 0.03 0.02 -0.30 -0.04 7.15 6.86 1dy6A1 TYR 97 HE2 0.03 0.07 -0.08 -0.04 6.85 6.83 1dy6A1 GLU 98 H -0.13 0.12 0.12 -0.55 8.60 8.16 1dy6A1 GLU 98 HA -0.16 0.25 0.43 -0.75 4.29 4.05 1dy6A1 GLU 98 HB2 -0.05 -0.01 0.01 -0.04 2.09 2.00 1dy6A1 GLU 98 HB3 -0.10 0.13 0.21 -0.04 1.99 2.19 1dy6A1 GLU 98 HG2 -0.07 0.12 0.07 -0.04 2.34 2.42 1dy6A1 GLU 98 HG3 -0.14 -0.11 0.12 -0.04 2.34 2.16 1dy6A1 SER 99 H 0.01 -0.01 -0.40 -0.55 8.46 7.52 1dy6A1 SER 99 HA 0.01 0.24 0.80 -0.75 4.49 4.78 1dy6A1 SER 99 HB2 0.01 -0.02 -0.04 -0.04 3.95 3.87 1dy6A1 SER 99 HB3 0.01 0.02 0.10 -0.04 3.93 4.01 1dy6A1 ARG 100 H 0.09 0.45 -0.26 -0.55 8.46 8.18 1dy6A1 ARG 100 HA 0.04 0.08 0.63 -0.75 4.34 4.34 1dy6A1 ARG 100 HB2 0.11 -0.08 0.03 -0.04 1.90 1.92 1dy6A1 ARG 100 HB3 0.20 0.12 0.08 -0.04 1.80 2.16 1dy6A1 ARG 100 HG2 0.03 0.12 -0.30 -0.04 1.67 1.48 1dy6A1 ARG 100 HG3 0.02 -0.01 -0.04 -0.04 1.67 1.60 1dy6A1 ARG 100 HD2 0.01 -0.01 -0.06 -0.04 3.22 3.12 1dy6A1 ARG 100 HD3 0.01 -0.05 -0.19 -0.04 3.22 2.94 1dy6A1 ASP 101 H 0.02 0.14 0.12 -0.55 8.40 8.13 1dy6A1 ASP 101 HA 0.03 0.09 0.52 -0.75 4.63 4.52 1dy6A1 ASP 101 HB2 0.01 -0.04 0.15 -0.04 2.71 2.79 1dy6A1 ASP 101 HB3 0.02 0.03 0.00 -0.04 2.70 2.71 1dy6A1 LEU 102 H 0.05 0.20 0.14 -0.55 8.37 8.21 1dy6A1 LEU 102 HA 0.02 0.01 0.54 -0.75 4.35 4.16 1dy6A1 LEU 102 HB2 0.04 0.02 0.09 -0.04 1.64 1.74 1dy6A1 LEU 102 HB3 0.01 -0.06 -0.05 -0.04 1.64 1.49 1dy6A1 LEU 102 HG 0.11 0.25 -0.05 -0.04 1.64 1.90 1dy6A1 LEU 102 HD13 0.13 -0.01 -0.18 -0.04 0.93 0.83 1dy6A1 LEU 102 HD23 -0.08 -0.04 -0.11 -0.04 0.89 0.62 1dy6A1 GLU 103 H 0.03 0.03 0.06 -0.55 8.60 8.16 1dy6A1 GLU 103 HA 0.08 0.09 0.27 -0.75 4.29 3.97 1dy6A1 GLU 103 HB2 0.06 -0.14 -0.18 -0.04 2.09 1.80 1dy6A1 GLU 103 HB3 0.12 0.05 -0.02 -0.04 1.99 2.09 1dy6A1 GLU 103 HG2 0.10 0.06 -0.07 -0.04 2.34 2.38 1dy6A1 GLU 103 HG3 0.06 0.04 0.01 -0.04 2.34 2.40 1dy6A1 TYR 104 H 0.22 0.08 0.11 -0.55 8.29 8.15 1dy6A1 TYR 104 HA 0.05 0.05 0.42 -0.75 4.56 4.33 1dy6A1 TYR 104 HB2 0.05 0.04 0.13 -0.04 3.06 3.23 1dy6A1 TYR 104 HB3 0.07 -0.03 0.12 -0.04 2.98 3.10 1dy6A1 TYR 104 HD2 0.06 -0.00 0.00 -0.04 7.15 7.17 1dy6A1 TYR 104 HE2 0.02 0.03 0.01 -0.04 6.85 6.87 1dy6A1 HIS 105 H -0.34 0.11 0.16 -0.55 8.41 7.79 1dy6A1 HIS 105 HA -0.33 0.01 0.40 -0.75 4.63 3.95 1dy6A1 HIS 105 HB2 -0.66 -0.01 -0.06 -0.04 3.26 2.49 1dy6A1 HIS 105 HB3 -0.18 0.16 0.32 -0.04 3.20 3.46 1dy6A1 HIS 105 HD2 -0.04 0.13 0.11 -0.04 6.97 7.13 1dy6A1 HIS 105 HE1 -0.02 -0.01 0.02 -0.04 7.75 7.71 1dy6A1 SER 106 H -0.15 0.19 -0.04 -0.55 8.46 7.91 1dy6A1 SER 106 HA -0.20 -0.04 0.73 -0.75 4.49 4.23 1dy6A1 SER 106 HB2 -0.05 0.17 0.06 -0.04 3.95 4.09 1dy6A1 SER 106 HB3 -0.08 -0.15 0.11 -0.04 3.93 3.77 1dy6A1 PRO 107 HA -0.13 0.12 0.39 -0.51 4.44 4.31 1dy6A1 PRO 107 HB2 -0.18 0.10 -0.00 -0.04 2.28 2.16 1dy6A1 PRO 107 HB3 -0.10 0.06 0.10 -0.04 2.02 2.04 1dy6A1 PRO 107 HG2 -0.25 -0.07 0.06 -0.04 2.03 1.73 1dy6A1 PRO 107 HG3 -0.18 0.21 0.04 -0.04 2.03 2.07 1dy6A1 PRO 107 HD2 -0.48 0.09 -0.10 -0.04 3.68 3.15 1dy6A1 PRO 107 HD3 -0.70 0.11 -0.15 -0.04 3.65 2.88 1dy6A1 ILE 108 H -0.21 0.04 -0.20 -0.55 8.25 7.34 1dy6A1 ILE 108 HA -0.21 0.23 0.62 -0.75 4.18 4.07 1dy6A1 ILE 108 HB -0.12 -0.11 0.06 -0.04 1.89 1.68 1dy6A1 ILE 108 HG12 -0.43 -0.05 0.02 -0.04 1.49 0.98 1dy6A1 ILE 108 HG13 -0.52 0.06 0.01 -0.04 1.21 0.72 1dy6A1 ILE 108 HG23 0.05 0.03 -0.10 -0.04 0.93 0.87 1dy6A1 ILE 108 HD13 -0.77 0.04 -0.16 -0.04 0.88 -0.06 1dy6A1 THR 109 H -0.08 -0.02 -0.09 -0.55 8.28 7.55 1dy6A1 THR 109 HA 0.16 0.12 0.22 -0.75 4.39 4.14 1dy6A1 THR 109 HB -0.22 0.12 -0.08 -0.04 4.32 4.10 1dy6A1 THR 109 HG23 -0.15 0.00 -0.10 -0.04 1.22 0.94 1dy6A1 THR 110 H -0.04 0.42 -0.36 -0.55 8.28 7.75 1dy6A1 THR 110 HA 0.07 0.10 0.52 -0.75 4.39 4.32 1dy6A1 THR 110 HB -0.00 0.01 0.09 -0.04 4.32 4.38 1dy6A1 THR 110 HG23 -0.02 0.17 0.05 -0.04 1.22 1.38 1dy6A1 LYS 111 H -0.15 0.30 -0.24 -0.55 8.42 7.77 1dy6A1 LYS 111 HA -0.17 0.11 0.54 -0.75 4.32 4.04 1dy6A1 LYS 111 HB2 -0.46 -0.03 0.13 -0.04 1.87 1.48 1dy6A1 LYS 111 HB3 -0.24 -0.01 0.13 -0.04 1.79 1.63 1dy6A1 LYS 111 HG2 -0.29 0.27 0.34 -0.04 1.46 1.73 1dy6A1 LYS 111 HG3 -0.71 0.13 0.10 -0.04 1.46 0.94 1dy6A1 LYS 111 HD2 -0.29 -0.07 0.03 -0.04 1.69 1.31 1dy6A1 LYS 111 HD3 -0.66 -0.03 -0.01 -0.04 1.68 0.95 1dy6A1 LYS 111 HE2 -0.17 -0.02 0.01 -0.04 2.99 2.77 1dy6A1 LYS 111 HE3 -0.23 -0.02 0.05 -0.04 2.99 2.75 1dy6A1 TYR 112 H -0.00 0.25 -0.44 -0.55 8.29 7.55 1dy6A1 TYR 112 HA -0.01 0.18 0.87 -0.75 4.56 4.84 1dy6A1 TYR 112 HB2 0.08 -0.02 -0.09 -0.04 3.06 2.99 1dy6A1 TYR 112 HB3 0.03 0.14 0.05 -0.04 2.98 3.15 1dy6A1 TYR 112 HD2 -0.02 -0.02 -0.06 -0.04 7.15 7.01 1dy6A1 TYR 112 HE2 -0.04 -0.02 -0.04 -0.04 6.85 6.71 1dy6A1 LYS 113 H 0.04 0.33 -0.33 -0.55 8.42 7.90 1dy6A1 LYS 113 HA -0.32 -0.00 0.29 -0.75 4.32 3.53 1dy6A1 LYS 113 HB2 0.09 0.09 0.23 -0.04 1.87 2.24 1dy6A1 LYS 113 HB3 -0.01 0.01 0.05 -0.04 1.79 1.79 1dy6A1 LYS 113 HG2 -0.09 -0.07 -0.01 -0.04 1.46 1.25 1dy6A1 LYS 113 HG3 0.22 -0.03 0.01 -0.04 1.46 1.62 1dy6A1 LYS 113 HD2 0.07 -0.08 0.05 -0.04 1.69 1.68 1dy6A1 LYS 113 HD3 0.02 -0.01 0.00 -0.04 1.68 1.65 1dy6A1 LYS 113 HE2 0.04 -0.02 -0.08 -0.04 2.99 2.89 1dy6A1 LYS 113 HE3 0.12 0.19 0.07 -0.04 2.99 3.33 1dy6A1 GLY 114 H -0.04 0.12 -0.28 -0.55 8.43 7.69 1dy6A1 GLY 114 HA2 -0.08 0.10 0.57 -0.51 4.01 4.09 1dy6A1 GLY 114 HA3 -0.04 0.03 0.28 -0.51 4.01 3.77 1dy6A1 SER 115 H -0.00 0.12 -0.14 -0.55 8.46 7.89 1dy6A1 SER 115 HA -0.03 0.16 0.83 -0.75 4.49 4.70 1dy6A1 SER 115 HB2 0.01 -0.02 0.10 -0.04 3.95 3.99 1dy6A1 SER 115 HB3 0.02 -0.05 0.02 -0.04 3.93 3.88 1dy6A1 GLY 116 H -0.13 0.37 -0.06 -0.55 8.43 8.07 1dy6A1 GLY 116 HA2 -0.18 -0.01 0.38 -0.51 4.01 3.69 1dy6A1 GLY 116 HA3 -0.04 0.05 0.54 -0.51 4.01 4.04 1dy6A1 MET 117 H 0.15 0.52 0.28 -0.55 8.47 8.87 1dy6A1 MET 117 HA -0.06 0.19 0.78 -0.75 4.52 4.68 1dy6A1 MET 117 HB2 0.13 -0.02 -0.07 -0.04 2.15 2.14 1dy6A1 MET 117 HB3 -0.02 -0.06 -0.02 -0.04 2.03 1.89 1dy6A1 MET 117 HG2 -0.12 0.07 -0.12 -0.04 2.63 2.42 1dy6A1 MET 117 HG3 0.25 0.02 -0.52 -0.04 2.56 2.26 1dy6A1 MET 117 HE3 -0.00 -0.01 -0.26 -0.04 2.10 1.79 1dy6A1 THR 118 H -0.05 0.10 0.12 -0.55 8.28 7.90 1dy6A1 THR 118 HA 0.01 0.31 0.30 -0.75 4.39 4.27 1dy6A1 THR 118 HB 0.01 0.10 0.13 -0.04 4.32 4.51 1dy6A1 THR 118 HG23 -0.02 0.05 0.00 -0.04 1.22 1.22 1dy6A1 LEU 119 H -0.00 0.51 0.09 -0.55 8.37 8.42 1dy6A1 LEU 119 HA 0.02 0.03 0.36 -0.75 4.35 4.00 1dy6A1 LEU 119 HB2 -0.16 0.08 0.08 -0.04 1.64 1.60 1dy6A1 LEU 119 HB3 -0.06 0.02 0.13 -0.04 1.64 1.68 1dy6A1 LEU 119 HG -0.05 -0.05 -0.29 -0.04 1.64 1.21 1dy6A1 LEU 119 HD13 -0.25 -0.02 -0.01 -0.04 0.93 0.62 1dy6A1 LEU 119 HD23 -0.31 0.01 -0.19 -0.04 0.89 0.36 1dy6A1 GLY 120 H 0.04 0.55 -0.05 -0.55 8.43 8.42 1dy6A1 GLY 120 HA2 0.25 0.06 0.37 -0.51 4.01 4.18 1dy6A1 GLY 120 HA3 0.19 0.11 0.30 -0.51 4.01 4.11 1dy6A1 ASP 121 H 0.00 0.13 -0.17 -0.55 8.40 7.81 1dy6A1 ASP 121 HA -0.11 0.09 0.40 -0.75 4.63 4.26 1dy6A1 ASP 121 HB2 -0.07 0.01 0.09 -0.04 2.71 2.70 1dy6A1 ASP 121 HB3 -0.10 0.02 -0.02 -0.04 2.70 2.56 1dy6A1 MET 122 H -0.04 0.57 -0.30 -0.55 8.47 8.16 1dy6A1 MET 122 HA -0.06 -0.04 0.36 -0.75 4.52 4.03 1dy6A1 MET 122 HB2 0.02 0.09 -0.04 -0.04 2.15 2.19 1dy6A1 MET 122 HB3 0.02 0.14 0.04 -0.04 2.03 2.19 1dy6A1 MET 122 HG2 -0.02 -0.03 -0.11 -0.04 2.63 2.43 1dy6A1 MET 122 HG3 -0.06 -0.13 -0.02 -0.04 2.56 2.32 1dy6A1 MET 122 HE3 0.00 0.01 -0.12 -0.04 2.10 1.95 1dy6A1 ALA 123 H -0.11 0.57 -0.18 -0.55 8.40 8.13 1dy6A1 ALA 123 HA -0.10 -0.01 0.32 -0.75 4.34 3.79 1dy6A1 ALA 123 HB3 -0.05 0.04 0.08 -0.04 1.41 1.44 1dy6A1 SER 124 H -0.74 0.51 -0.17 -0.55 8.46 7.51 1dy6A1 SER 124 HA -1.01 0.07 0.52 -0.75 4.49 3.32 1dy6A1 SER 124 HB2 -1.06 0.02 0.08 -0.04 3.95 2.94 1dy6A1 SER 124 HB3 -2.31 0.06 0.09 -0.04 3.93 1.73 1dy6A1 ALA 125 H -0.24 0.50 -0.27 -0.55 8.40 7.84 1dy6A1 ALA 125 HA 0.10 0.05 0.45 -0.75 4.34 4.18 1dy6A1 ALA 125 HB3 -0.07 0.02 0.11 -0.04 1.41 1.43 1dy6A1 ALA 126 H -0.13 0.60 -0.20 -0.55 8.40 8.13 1dy6A1 ALA 126 HA -0.06 -0.03 0.33 -0.75 4.34 3.83 1dy6A1 ALA 126 HB3 -0.07 0.04 0.01 -0.04 1.41 1.35 1dy6A1 LEU 127 H -0.16 0.26 -0.45 -0.55 8.37 7.47 1dy6A1 LEU 127 HA -0.09 0.07 0.53 -0.75 4.35 4.11 1dy6A1 LEU 127 HB2 -0.01 0.04 0.09 -0.04 1.64 1.71 1dy6A1 LEU 127 HB3 -0.10 0.04 0.17 -0.04 1.64 1.70 1dy6A1 LEU 127 HG 0.00 -0.10 -0.04 -0.04 1.64 1.46 1dy6A1 LEU 127 HD13 0.26 -0.01 -0.03 -0.04 0.93 1.10 1dy6A1 LEU 127 HD23 -0.03 0.03 -0.26 -0.04 0.89 0.59 1dy6A1 GLN 128 H -0.14 0.86 0.20 -0.55 8.47 8.85 1dy6A1 GLN 128 HA -0.18 0.02 0.57 -0.75 4.36 4.02 1dy6A1 GLN 128 HB2 -0.12 -0.04 0.08 -0.04 2.15 2.03 1dy6A1 GLN 128 HB3 -0.35 0.08 0.12 -0.04 2.02 1.82 1dy6A1 GLN 128 HG2 -0.08 0.17 -0.11 -0.04 2.40 2.34 1dy6A1 GLN 128 HG3 -0.16 -0.02 0.15 -0.04 2.39 2.32 1dy6A1 GLN 128 HE21 0.10 -0.03 0.09 -0.04 6.97 7.08 1dy6A1 GLN 128 HE22 0.08 0.37 0.20 -0.04 7.69 8.31 1dy6A1 TYR 129 H 0.03 0.47 -0.15 -0.55 8.29 8.08 1dy6A1 TYR 129 HA -0.03 0.21 0.96 -0.75 4.56 4.95 1dy6A1 TYR 129 HB2 -0.11 0.02 0.10 -0.04 3.06 3.04 1dy6A1 TYR 129 HB3 -0.12 -0.09 0.13 -0.04 2.98 2.86 1dy6A1 TYR 129 HD2 -0.06 -0.02 0.01 -0.04 7.15 7.04 1dy6A1 TYR 129 HE2 -0.03 0.02 -0.03 -0.04 6.85 6.78 1dy6A1 SER 130 H -0.02 0.23 -0.35 -0.55 8.46 7.77 1dy6A1 SER 130 HA -0.03 0.32 0.39 -0.75 4.49 4.42 1dy6A1 SER 130 HB2 0.04 -0.04 -0.23 -0.04 3.95 3.68 1dy6A1 SER 130 HB3 0.22 0.05 0.14 -0.04 3.93 4.30 1dy6A1 ASP 131 H -0.02 0.19 -0.41 -0.55 8.40 7.61 1dy6A1 ASP 131 HA -0.24 0.18 0.42 -0.75 4.63 4.24 1dy6A1 ASP 131 HB2 -0.08 0.13 -0.10 -0.04 2.71 2.62 1dy6A1 ASP 131 HB3 -0.07 -0.05 -0.12 -0.04 2.70 2.42 1dy6A1 ASN 132 H -0.07 0.80 0.45 -0.55 8.53 9.16 1dy6A1 ASN 132 HA 0.07 0.08 0.61 -0.75 4.76 4.77 1dy6A1 ASN 132 HB2 0.05 0.24 0.00 -0.04 2.88 3.14 1dy6A1 ASN 132 HB3 0.11 -0.15 -0.01 -0.04 2.79 2.70 1dy6A1 ASN 132 HD21 0.18 -0.08 0.10 -0.04 7.03 7.18 1dy6A1 ASN 132 HD22 0.15 0.61 0.21 -0.04 7.74 8.67 1dy6A1 GLY 133 H -0.05 0.13 -0.06 -0.55 8.43 7.90 1dy6A1 GLY 133 HA2 -0.02 0.09 0.43 -0.51 4.01 4.00 1dy6A1 GLY 133 HA3 -0.09 0.07 0.25 -0.51 4.01 3.73 1dy6A1 ALA 134 H -0.08 0.01 -0.29 -0.55 8.40 7.49 1dy6A1 ALA 134 HA -0.10 0.07 0.28 -0.75 4.34 3.83 1dy6A1 ALA 134 HB3 -0.06 0.07 0.00 -0.04 1.41 1.38 1dy6A1 THR 135 H 0.00 0.36 -0.31 -0.55 8.28 7.79 1dy6A1 THR 135 HA 0.05 0.04 0.30 -0.75 4.39 4.03 1dy6A1 THR 135 HB 0.12 0.04 0.19 -0.04 4.32 4.63 1dy6A1 THR 135 HG23 0.20 -0.02 -0.10 -0.04 1.22 1.25 1dy6A1 ASN 136 H 0.13 0.63 -0.03 -0.55 8.53 8.71 1dy6A1 ASN 136 HA 0.39 -0.02 0.41 -0.75 4.76 4.79 1dy6A1 ASN 136 HB2 0.14 0.11 0.16 -0.04 2.88 3.25 1dy6A1 ASN 136 HB3 0.20 0.01 0.01 -0.04 2.79 2.97 1dy6A1 ASN 136 HD21 0.28 0.37 0.18 -0.04 7.03 7.82 1dy6A1 ASN 136 HD22 0.13 -0.00 0.05 -0.04 7.74 7.88 1dy6A1 ILE 137 H 0.03 0.62 -0.19 -0.55 8.25 8.16 1dy6A1 ILE 137 HA 0.00 0.05 0.49 -0.75 4.18 3.97 1dy6A1 ILE 137 HB -0.07 0.06 0.09 -0.04 1.89 1.93 1dy6A1 ILE 137 HG12 -0.07 -0.02 -0.01 -0.04 1.49 1.35 1dy6A1 ILE 137 HG13 -0.09 0.09 0.06 -0.04 1.21 1.24 1dy6A1 ILE 137 HG23 -0.05 -0.01 -0.17 -0.04 0.93 0.66 1dy6A1 ILE 137 HD13 -0.45 -0.03 -0.17 -0.04 0.88 0.18 1dy6A1 ILE 138 H 0.07 0.62 -0.09 -0.55 8.25 8.29 1dy6A1 ILE 138 HA 0.15 0.03 0.41 -0.75 4.18 4.02 1dy6A1 ILE 138 HB 0.11 0.15 0.13 -0.04 1.89 2.24 1dy6A1 ILE 138 HG12 0.31 -0.03 -0.02 -0.04 1.49 1.71 1dy6A1 ILE 138 HG13 0.13 0.04 0.02 -0.04 1.21 1.36 1dy6A1 ILE 138 HG23 0.21 -0.02 -0.17 -0.04 0.93 0.91 1dy6A1 ILE 138 HD13 0.05 -0.03 -0.22 -0.04 0.88 0.64 1dy6A1 MET 139 H 0.14 0.55 -0.16 -0.55 8.47 8.45 1dy6A1 MET 139 HA 0.05 -0.01 0.42 -0.75 4.52 4.23 1dy6A1 MET 139 HB2 0.13 0.09 0.08 -0.04 2.15 2.40 1dy6A1 MET 139 HB3 -0.34 -0.14 -0.07 -0.04 2.03 1.44 1dy6A1 MET 139 HG2 0.05 -0.01 -0.09 -0.04 2.63 2.53 1dy6A1 MET 139 HG3 0.13 0.17 -0.05 -0.04 2.56 2.77 1dy6A1 MET 139 HE3 -0.15 0.00 -0.11 -0.04 2.10 1.80 1dy6A1 GLU 140 H 0.22 0.45 -0.26 -0.55 8.60 8.46 1dy6A1 GLU 140 HA 0.39 0.05 0.69 -0.75 4.29 4.67 1dy6A1 GLU 140 HB2 0.07 -0.02 0.08 -0.04 2.09 2.18 1dy6A1 GLU 140 HB3 0.25 -0.04 0.11 -0.04 1.99 2.27 1dy6A1 GLU 140 HG2 0.08 0.15 0.39 -0.04 2.34 2.92 1dy6A1 GLU 140 HG3 -0.03 0.04 0.04 -0.04 2.34 2.34 1dy6A1 ARG 141 H -0.17 0.43 -0.05 -0.55 8.46 8.12 1dy6A1 ARG 141 HA -0.17 0.20 0.80 -0.75 4.34 4.43 1dy6A1 ARG 141 HB2 -1.20 0.02 0.10 -0.04 1.90 0.78 1dy6A1 ARG 141 HB3 -0.77 -0.01 0.04 -0.04 1.80 1.02 1dy6A1 ARG 141 HG2 -0.17 -0.00 -0.04 -0.04 1.67 1.42 1dy6A1 ARG 141 HG3 -0.20 0.03 0.05 -0.04 1.67 1.52 1dy6A1 ARG 141 HD2 -0.30 -0.02 -0.04 -0.04 3.22 2.82 1dy6A1 ARG 141 HD3 -0.18 -0.00 0.00 -0.04 3.22 3.00 1dy6A1 PHE 141 H -0.15 0.41 0.09 -0.55 8.34 8.14 1dy6A1 PHE 141 HA 0.04 0.29 1.07 -0.75 4.62 5.27 1dy6A1 PHE 141 HB2 0.03 0.03 0.06 -0.04 3.15 3.22 1dy6A1 PHE 141 HB3 0.02 -0.01 -0.00 -0.04 3.06 3.03 1dy6A1 PHE 141 HD2 0.03 0.05 -0.06 -0.04 7.28 7.26 1dy6A1 PHE 141 HE2 0.04 -0.01 -0.07 -0.04 7.38 7.30 1dy6A1 PHE 141 HZ 0.05 0.00 -0.07 -0.04 7.32 7.26 1dy6A1 LEU 142 H 0.11 0.25 0.15 -0.55 8.37 8.33 1dy6A1 LEU 142 HA 0.07 0.31 0.92 -0.75 4.35 4.90 1dy6A1 LEU 142 HB2 0.07 -0.03 -0.01 -0.04 1.64 1.63 1dy6A1 LEU 142 HB3 0.03 -0.04 -0.06 -0.04 1.64 1.53 1dy6A1 LEU 142 HG -0.04 0.04 -0.11 -0.04 1.64 1.48 1dy6A1 LEU 142 HD13 0.05 0.04 -0.36 -0.04 0.93 0.63 1dy6A1 LEU 142 HD23 0.01 -0.01 -0.11 -0.04 0.89 0.74 1dy6A1 GLY 143 H 0.06 0.16 -0.18 -0.55 8.43 7.93 1dy6A1 GLY 143 HA2 0.06 0.08 0.26 -0.51 4.01 3.90 1dy6A1 GLY 143 HA3 0.04 0.10 0.58 -0.51 4.01 4.23 1dy6A1 GLY 144 H -0.01 0.69 0.13 -0.55 8.43 8.69 1dy6A1 GLY 144 HA2 -0.62 0.01 0.18 -0.51 4.01 3.07 1dy6A1 GLY 144 HA3 -0.17 0.09 0.37 -0.51 4.01 3.79 1dy6A1 PRO 145 HA -0.28 0.01 0.34 -0.51 4.44 4.00 1dy6A1 PRO 145 HB2 -0.22 0.13 -0.17 -0.04 2.28 1.97 1dy6A1 PRO 145 HB3 -0.30 -0.08 -0.53 -0.04 2.02 1.08 1dy6A1 PRO 145 HG2 -0.75 0.06 -0.29 -0.04 2.03 1.00 1dy6A1 PRO 145 HG3 -1.01 0.03 -0.30 -0.04 2.03 0.71 1dy6A1 PRO 145 HD2 -0.39 0.17 0.14 -0.04 3.68 3.55 1dy6A1 PRO 145 HD3 -1.99 0.07 0.07 -0.04 3.65 1.76 1dy6A1 GLU 146 H -0.10 0.16 -0.17 -0.55 8.60 7.95 1dy6A1 GLU 146 HA -0.01 0.11 0.55 -0.75 4.29 4.19 1dy6A1 GLU 146 HB2 0.01 0.02 0.00 -0.04 2.09 2.09 1dy6A1 GLU 146 HB3 0.00 -0.00 0.10 -0.04 1.99 2.04 1dy6A1 GLU 146 HG2 0.02 -0.07 0.09 -0.04 2.34 2.34 1dy6A1 GLU 146 HG3 -0.01 0.12 0.19 -0.04 2.34 2.60 1dy6A1 GLY 147 H -0.02 0.37 -0.35 -0.55 8.43 7.88 1dy6A1 GLY 147 HA2 0.04 0.00 0.42 -0.51 4.01 3.96 1dy6A1 GLY 147 HA3 0.02 0.48 0.35 -0.51 4.01 4.36 1dy6A1 MET 148 H -0.00 0.54 -0.22 -0.55 8.47 8.24 1dy6A1 MET 148 HA 0.10 0.03 0.33 -0.75 4.52 4.22 1dy6A1 MET 148 HB2 0.07 -0.01 -0.02 -0.04 2.15 2.15 1dy6A1 MET 148 HB3 0.06 0.05 0.03 -0.04 2.03 2.13 1dy6A1 MET 148 HG2 0.35 -0.05 -0.14 -0.04 2.63 2.75 1dy6A1 MET 148 HG3 0.33 0.01 -0.31 -0.04 2.56 2.55 1dy6A1 MET 148 HE3 0.16 0.00 -0.20 -0.04 2.10 2.02 1dy6A1 THR 149 H 0.10 0.46 -0.39 -0.55 8.28 7.90 1dy6A1 THR 149 HA 0.31 -0.03 0.34 -0.75 4.39 4.26 1dy6A1 THR 149 HB 0.07 0.15 0.16 -0.04 4.32 4.66 1dy6A1 THR 149 HG23 0.13 0.01 -0.04 -0.04 1.22 1.28 1dy6A1 LYS 150 H 0.06 0.41 -0.33 -0.55 8.42 8.01 1dy6A1 LYS 150 HA 0.01 0.00 0.44 -0.75 4.32 4.02 1dy6A1 LYS 150 HB2 0.04 0.12 0.26 -0.04 1.87 2.26 1dy6A1 LYS 150 HB3 0.05 -0.01 -0.00 -0.04 1.79 1.78 1dy6A1 LYS 150 HG2 0.02 -0.04 0.02 -0.04 1.46 1.42 1dy6A1 LYS 150 HG3 0.01 -0.04 0.04 -0.04 1.46 1.44 1dy6A1 LYS 150 HD2 0.02 -0.05 -0.03 -0.04 1.69 1.58 1dy6A1 LYS 150 HD3 0.02 0.04 -0.10 -0.04 1.68 1.61 1dy6A1 LYS 150 HE2 0.04 0.05 -0.01 -0.04 2.99 3.03 1dy6A1 LYS 150 HE3 0.03 -0.02 -0.03 -0.04 2.99 2.93 1dy6A1 PHE 151 H 0.15 0.52 -0.21 -0.55 8.34 8.25 1dy6A1 PHE 151 HA -0.06 0.04 0.40 -0.75 4.62 4.25 1dy6A1 PHE 151 HB2 -0.03 0.02 0.07 -0.04 3.15 3.17 1dy6A1 PHE 151 HB3 -0.08 0.17 0.14 -0.04 3.06 3.24 1dy6A1 PHE 151 HD2 -0.10 0.03 -0.08 -0.04 7.28 7.09 1dy6A1 PHE 151 HE2 -0.08 0.00 -0.09 -0.04 7.38 7.17 1dy6A1 PHE 151 HZ -0.10 -0.01 -0.23 -0.04 7.32 6.94 1dy6A1 MET 152 H -0.13 0.38 -0.24 -0.55 8.47 7.93 1dy6A1 MET 152 HA -0.62 0.01 0.43 -0.75 4.52 3.58 1dy6A1 MET 152 HB2 -0.28 0.19 0.04 -0.04 2.15 2.06 1dy6A1 MET 152 HB3 -0.45 -0.11 -0.01 -0.04 2.03 1.43 1dy6A1 MET 152 HG2 -0.65 0.23 0.00 -0.04 2.63 2.17 1dy6A1 MET 152 HG3 -2.54 -0.10 -0.09 -0.04 2.56 -0.20 1dy6A1 MET 152 HE3 -1.07 -0.02 -0.06 -0.04 2.10 0.91 1dy6A1 ARG 153 H -0.12 0.42 -0.26 -0.55 8.46 7.94 1dy6A1 ARG 153 HA -0.11 0.17 0.45 -0.75 4.34 4.10 1dy6A1 ARG 153 HB2 -0.06 0.16 0.15 -0.04 1.90 2.12 1dy6A1 ARG 153 HB3 -0.06 -0.08 -0.00 -0.04 1.80 1.62 1dy6A1 ARG 153 HG2 -0.01 0.26 0.09 -0.04 1.67 1.96 1dy6A1 ARG 153 HG3 -0.01 -0.08 0.01 -0.04 1.67 1.54 1dy6A1 ARG 153 HD2 -0.03 -0.09 -0.00 -0.04 3.22 3.06 1dy6A1 ARG 153 HD3 -0.04 0.20 0.06 -0.04 3.22 3.40 1dy6A1 SER 154 H -0.18 0.44 -0.24 -0.55 8.46 7.94 1dy6A1 SER 154 HA -0.11 -0.00 0.35 -0.75 4.49 3.97 1dy6A1 SER 154 HB2 -0.08 -0.07 0.10 -0.04 3.95 3.85 1dy6A1 SER 154 HB3 -0.09 0.08 0.15 -0.04 3.93 4.04 1dy6A1 ILE 155 H -0.37 0.27 -0.57 -0.55 8.25 7.03 1dy6A1 ILE 155 HA -0.20 0.21 0.93 -0.75 4.18 4.37 1dy6A1 ILE 155 HB -0.24 -0.07 0.14 -0.04 1.89 1.68 1dy6A1 ILE 155 HG12 -0.58 0.09 0.09 -0.04 1.49 1.05 1dy6A1 ILE 155 HG13 -0.33 -0.04 -0.15 -0.04 1.21 0.66 1dy6A1 ILE 155 HG23 -0.52 0.03 -0.10 -0.04 0.93 0.30 1dy6A1 ILE 155 HD13 -0.39 -0.04 -0.00 -0.04 0.88 0.41 1dy6A1 GLY 156 H -0.16 0.59 -0.33 -0.55 8.43 7.99 1dy6A1 GLY 156 HA2 -0.10 0.03 0.26 -0.51 4.01 3.69 1dy6A1 GLY 156 HA3 -0.11 0.06 0.48 -0.51 4.01 3.94 1dy6A1 ASP 157 H -0.19 0.55 -0.07 -0.55 8.40 8.14 1dy6A1 ASP 157 HA -0.12 0.03 0.76 -0.75 4.63 4.55 1dy6A1 ASP 157 HB2 -0.25 0.05 0.01 -0.04 2.71 2.48 1dy6A1 ASP 157 HB3 -0.23 0.09 0.05 -0.04 2.70 2.58 1dy6A1 ASN 158 H -0.07 0.17 0.12 -0.55 8.53 8.22 1dy6A1 ASN 158 HA -0.03 0.29 0.83 -0.75 4.76 5.09 1dy6A1 ASN 158 HB2 -0.05 -0.02 0.03 -0.04 2.88 2.79 1dy6A1 ASN 158 HB3 -0.03 0.01 0.12 -0.04 2.79 2.84 1dy6A1 ASN 158 HD21 -0.05 0.02 -0.07 -0.04 7.03 6.89 1dy6A1 ASN 158 HD22 -0.05 -0.03 -0.03 -0.04 7.74 7.59 1dy6A1 GLU 159 H -0.02 -0.08 -0.09 -0.55 8.60 7.85 1dy6A1 GLU 159 HA -0.03 0.23 0.71 -0.75 4.29 4.44 1dy6A1 GLU 159 HB2 -0.03 -0.12 0.05 -0.04 2.09 1.96 1dy6A1 GLU 159 HB3 -0.04 0.02 -0.02 -0.04 1.99 1.90 1dy6A1 GLU 159 HG2 -0.06 -0.08 -0.00 -0.04 2.34 2.16 1dy6A1 GLU 159 HG3 -0.07 -0.07 0.01 -0.04 2.34 2.16 1dy6A1 PHE 160 H 0.11 -0.09 -0.09 -0.55 8.34 7.71 1dy6A1 PHE 160 HA -0.03 0.09 0.43 -0.75 4.62 4.36 1dy6A1 PHE 160 HB2 -0.10 -0.08 0.01 -0.04 3.15 2.94 1dy6A1 PHE 160 HB3 -0.09 0.07 -0.04 -0.04 3.06 2.96 1dy6A1 PHE 160 HD2 0.04 0.00 -0.31 -0.04 7.28 6.97 1dy6A1 PHE 160 HE2 0.26 -0.06 -0.24 -0.04 7.38 7.30 1dy6A1 PHE 160 HZ 0.22 -0.05 -0.19 -0.04 7.32 7.25 1dy6A1 ARG 161 H -0.65 0.46 0.24 -0.55 8.46 7.96 1dy6A1 ARG 161 HA -0.06 0.10 0.53 -0.75 4.34 4.16 1dy6A1 ARG 161 HB2 -0.09 -0.08 0.03 -0.04 1.90 1.73 1dy6A1 ARG 161 HB3 -0.07 0.21 -0.14 -0.04 1.80 1.75 1dy6A1 ARG 161 HG2 -0.15 0.26 0.09 -0.04 1.67 1.82 1dy6A1 ARG 161 HG3 -0.16 -0.37 0.08 -0.04 1.67 1.17 1dy6A1 ARG 161 HD2 -0.06 0.06 -0.08 -0.04 3.22 3.09 1dy6A1 ARG 161 HD3 -0.08 0.14 -0.02 -0.04 3.22 3.23 1dy6A1 LEU 162 H -0.10 0.38 0.11 -0.55 8.37 8.21 1dy6A1 LEU 162 HA -0.32 0.04 0.81 -0.75 4.35 4.13 1dy6A1 LEU 162 HB2 -0.17 0.01 -0.06 -0.04 1.64 1.38 1dy6A1 LEU 162 HB3 -0.12 0.12 0.14 -0.04 1.64 1.73 1dy6A1 LEU 162 HG -0.39 0.03 0.03 -0.04 1.64 1.27 1dy6A1 LEU 162 HD13 -0.67 -0.00 0.05 -0.04 0.93 0.26 1dy6A1 LEU 162 HD23 -0.56 -0.03 -0.07 -0.04 0.89 0.19 1dy6A1 ASP 163 H -0.16 0.02 0.15 -0.55 8.40 7.86 1dy6A1 ASP 163 HA -0.08 0.26 0.91 -0.75 4.63 4.96 1dy6A1 ASP 163 HB2 -0.06 -0.04 0.05 -0.04 2.71 2.62 1dy6A1 ASP 163 HB3 -0.03 0.07 0.02 -0.04 2.70 2.72 1dy6A1 ARG 164 H -0.12 -0.00 0.13 -0.55 8.46 7.92 1dy6A1 ARG 164 HA 0.08 0.26 0.93 -0.75 4.34 4.85 1dy6A1 ARG 164 HB2 0.02 -0.02 -0.09 -0.04 1.90 1.76 1dy6A1 ARG 164 HB3 0.13 -0.04 0.03 -0.04 1.80 1.88 1dy6A1 ARG 164 HG2 0.08 0.08 -0.11 -0.04 1.67 1.68 1dy6A1 ARG 164 HG3 0.01 -0.12 -0.32 -0.04 1.67 1.20 1dy6A1 ARG 164 HD2 0.06 -0.00 -0.17 -0.04 3.22 3.07 1dy6A1 ARG 164 HD3 0.03 0.04 -0.09 -0.04 3.22 3.16 1dy6A1 TRP 165 H 0.46 0.13 0.11 -0.55 7.97 8.13 1dy6A1 TRP 165 HA 0.01 0.16 0.59 -0.75 4.62 4.63 1dy6A1 TRP 165 HB2 0.03 0.01 0.03 -0.04 3.23 3.25 1dy6A1 TRP 165 HB3 0.05 0.04 0.16 -0.04 3.23 3.43 1dy6A1 TRP 165 HD1 0.00 -0.05 0.07 -0.04 7.22 7.20 1dy6A1 TRP 165 HE1 0.01 0.06 0.01 -0.04 10.20 10.23 1dy6A1 TRP 165 HE3 0.05 -0.05 0.05 -0.04 7.59 7.60 1dy6A1 TRP 165 HZ2 0.01 0.05 -0.01 -0.04 7.44 7.45 1dy6A1 TRP 165 HZ3 0.02 0.17 0.01 -0.04 7.13 7.28 1dy6A1 TRP 165 HH2 0.01 0.06 -0.13 -0.04 7.19 7.08 1dy6A1 GLU 166 H 0.35 0.15 0.15 -0.55 8.60 8.71 1dy6A1 GLU 166 HA 0.20 0.02 0.59 -0.75 4.29 4.35 1dy6A1 GLU 166 HB2 0.26 -0.02 0.18 -0.04 2.09 2.47 1dy6A1 GLU 166 HB3 0.20 0.07 0.06 -0.04 1.99 2.28 1dy6A1 GLU 166 HG2 0.41 -0.03 -0.00 -0.04 2.34 2.68 1dy6A1 GLU 166 HG3 0.25 0.05 0.05 -0.04 2.34 2.65 1dy6A1 LEU 167 H 0.13 0.15 0.08 -0.55 8.37 8.18 1dy6A1 LEU 167 HA 0.17 0.02 0.42 -0.75 4.35 4.20 1dy6A1 LEU 167 HB2 0.13 0.06 0.08 -0.04 1.64 1.86 1dy6A1 LEU 167 HB3 0.14 0.09 0.17 -0.04 1.64 2.00 1dy6A1 LEU 167 HG 0.18 0.01 0.06 -0.04 1.64 1.85 1dy6A1 LEU 167 HD13 0.17 0.02 -0.07 -0.04 0.93 1.01 1dy6A1 LEU 167 HD23 0.28 0.04 0.02 -0.04 0.89 1.20 1dy6A1 GLU 168 H 0.13 0.18 -0.15 -0.55 8.60 8.21 1dy6A1 GLU 168 HA 0.08 0.11 0.39 -0.75 4.29 4.11 1dy6A1 GLU 168 HB2 0.08 0.03 0.06 -0.04 2.09 2.22 1dy6A1 GLU 168 HB3 0.08 0.02 0.08 -0.04 1.99 2.13 1dy6A1 GLU 168 HG2 0.18 0.02 -0.10 -0.04 2.34 2.40 1dy6A1 GLU 168 HG3 0.14 0.03 -0.03 -0.04 2.34 2.44 1dy6A1 LEU 169 H 0.10 0.36 -0.30 -0.55 8.37 7.98 1dy6A1 LEU 169 HA 0.03 0.04 0.30 -0.75 4.35 3.96 1dy6A1 LEU 169 HB2 -0.04 -0.01 0.08 -0.04 1.64 1.63 1dy6A1 LEU 169 HB3 -0.03 -0.01 -0.17 -0.04 1.64 1.38 1dy6A1 LEU 169 HG 0.12 -0.07 -0.22 -0.04 1.64 1.42 1dy6A1 LEU 169 HD13 0.16 0.02 -0.31 -0.04 0.93 0.76 1dy6A1 LEU 169 HD23 -0.11 -0.00 -0.26 -0.04 0.89 0.48 1dy6A1 ASN 170 H 0.10 0.44 -0.53 -0.55 8.53 7.99 1dy6A1 ASN 170 HA 0.10 0.04 0.61 -0.75 4.76 4.76 1dy6A1 ASN 170 HB2 0.11 0.16 0.13 -0.04 2.88 3.24 1dy6A1 ASN 170 HB3 0.11 0.26 0.30 -0.04 2.79 3.41 1dy6A1 ASN 170 HD21 0.17 -0.09 -0.00 -0.04 7.03 7.07 1dy6A1 ASN 170 HD22 0.14 0.34 0.17 -0.04 7.74 8.34 1dy6A1 THR 171 H 0.07 0.29 -0.26 -0.55 8.28 7.83 1dy6A1 THR 171 HA 0.10 0.09 0.25 -0.75 4.39 4.07 1dy6A1 THR 171 HB 0.07 -0.02 0.06 -0.04 4.32 4.39 1dy6A1 THR 171 HG23 0.06 0.04 0.08 -0.04 1.22 1.36 1dy6A1 ALA 172 H 0.06 0.09 -0.44 -0.55 8.40 7.56 1dy6A1 ALA 172 HA 0.01 0.02 0.21 -0.75 4.34 3.83 1dy6A1 ALA 172 HB3 0.13 0.01 -0.01 -0.04 1.41 1.50 1dy6A1 ILE 173 H -0.05 -0.06 -0.39 -0.55 8.25 7.19 1dy6A1 ILE 173 HA -0.56 0.14 0.44 -0.75 4.18 3.45 1dy6A1 ILE 173 HB -0.08 -0.11 0.02 -0.04 1.89 1.69 1dy6A1 ILE 173 HG12 0.05 0.06 -0.01 -0.04 1.49 1.55 1dy6A1 ILE 173 HG13 0.01 -0.09 -0.16 -0.04 1.21 0.93 1dy6A1 ILE 173 HG23 -0.08 0.04 -0.06 -0.04 0.93 0.78 1dy6A1 ILE 173 HD13 0.01 -0.02 -0.01 -0.04 0.88 0.82 1dy6A1 PRO 174 HA -0.19 0.03 0.41 -0.51 4.44 4.19 1dy6A1 PRO 174 HB2 -0.14 -0.03 0.09 -0.04 2.28 2.16 1dy6A1 PRO 174 HB3 -0.13 0.02 0.08 -0.04 2.02 1.96 1dy6A1 PRO 174 HG2 -0.24 0.05 0.14 -0.04 2.03 1.94 1dy6A1 PRO 174 HG3 -0.40 0.15 0.14 -0.04 2.03 1.88 1dy6A1 PRO 174 HD2 -0.47 0.02 0.23 -0.04 3.68 3.41 1dy6A1 PRO 174 HD3 -1.67 0.23 0.33 -0.04 3.65 2.50 1dy6A1 GLY 175 H -0.12 0.17 0.12 -0.55 8.43 8.05 1dy6A1 GLY 175 HA2 -0.08 -0.01 0.30 -0.51 4.01 3.71 1dy6A1 GLY 175 HA3 -0.07 0.11 0.51 -0.51 4.01 4.04 1dy6A1 ASP 176 H -0.10 0.50 -0.41 -0.55 8.40 7.85 1dy6A1 ASP 176 HA -0.05 0.03 0.64 -0.75 4.63 4.50 1dy6A1 ASP 176 HB2 -0.06 0.02 -0.04 -0.04 2.71 2.59 1dy6A1 ASP 176 HB3 -0.06 0.13 0.06 -0.04 2.70 2.79 1dy6A1 LYS 177 H -0.05 0.12 0.10 -0.55 8.42 8.04 1dy6A1 LYS 177 HA -0.06 0.23 0.64 -0.75 4.32 4.37 1dy6A1 LYS 177 HB2 -0.05 -0.03 0.01 -0.04 1.87 1.77 1dy6A1 LYS 177 HB3 -0.06 0.01 0.03 -0.04 1.79 1.73 1dy6A1 LYS 177 HG2 -0.06 -0.01 -0.08 -0.04 1.46 1.28 1dy6A1 LYS 177 HG3 -0.06 0.04 -0.31 -0.04 1.46 1.09 1dy6A1 LYS 177 HD2 -0.04 -0.02 -0.00 -0.04 1.69 1.58 1dy6A1 LYS 177 HD3 -0.04 -0.01 -0.03 -0.04 1.68 1.55 1dy6A1 LYS 177 HE2 -0.05 0.08 -0.07 -0.04 2.99 2.91 1dy6A1 LYS 177 HE3 -0.04 -0.00 -0.01 -0.04 2.99 2.90 1dy6A1 ARG 178 H -0.05 0.00 -0.19 -0.55 8.46 7.68 1dy6A1 ARG 178 HA -0.07 0.05 0.40 -0.75 4.34 3.96 1dy6A1 ARG 178 HB2 -0.03 0.03 0.00 -0.04 1.90 1.86 1dy6A1 ARG 178 HB3 -0.05 -0.09 -0.03 -0.04 1.80 1.60 1dy6A1 ARG 178 HG2 -0.03 0.02 -0.01 -0.04 1.67 1.61 1dy6A1 ARG 178 HG3 -0.03 -0.03 0.01 -0.04 1.67 1.58 1dy6A1 ARG 178 HD2 -0.01 -0.03 -0.06 -0.04 3.22 3.08 1dy6A1 ARG 178 HD3 -0.01 0.04 -0.03 -0.04 3.22 3.18 1dy6A1 ASP 179 H -0.13 0.03 0.07 -0.55 8.40 7.82 1dy6A1 ASP 179 HA -0.23 0.24 0.50 -0.75 4.63 4.40 1dy6A1 ASP 179 HB2 -0.05 0.23 0.12 -0.04 2.71 2.97 1dy6A1 ASP 179 HB3 -0.12 -0.02 0.26 -0.04 2.70 2.78 1dy6A1 THR 180 H -0.16 0.20 0.01 -0.55 8.28 7.79 1dy6A1 THR 180 HA -0.03 0.13 0.98 -0.75 4.39 4.72 1dy6A1 THR 180 HB -0.04 -0.07 -0.05 -0.04 4.32 4.12 1dy6A1 THR 180 HG23 -0.04 0.04 -0.54 -0.04 1.22 0.64 1dy6A1 SER 181 H -0.04 0.55 0.26 -0.55 8.46 8.68 1dy6A1 SER 181 HA -0.06 0.17 0.15 -0.75 4.49 4.00 1dy6A1 SER 181 HB2 -0.06 0.05 -0.23 -0.04 3.95 3.67 1dy6A1 SER 181 HB3 -0.06 0.05 -0.16 -0.04 3.93 3.72 1dy6A1 THR 182 H -0.07 0.02 0.06 -0.55 8.28 7.75 1dy6A1 THR 182 HA 0.03 0.54 0.87 -0.75 4.39 5.08 1dy6A1 THR 182 HB -0.02 0.27 -0.03 -0.04 4.32 4.50 1dy6A1 THR 182 HG23 -0.04 0.01 -0.36 -0.04 1.22 0.79 1dy6A1 PRO 183 HA -0.10 0.05 0.32 -0.51 4.44 4.20 1dy6A1 PRO 183 HB2 0.09 -0.01 -0.17 -0.04 2.28 2.14 1dy6A1 PRO 183 HB3 0.11 0.15 -0.28 -0.04 2.02 1.96 1dy6A1 PRO 183 HG2 -0.02 0.05 -0.09 -0.04 2.03 1.94 1dy6A1 PRO 183 HG3 -0.25 0.04 -0.07 -0.04 2.03 1.70 1dy6A1 PRO 183 HD2 0.08 0.13 0.16 -0.04 3.68 4.01 1dy6A1 PRO 183 HD3 0.21 0.38 0.19 -0.04 3.65 4.38 1dy6A1 LYS 184 H -0.15 0.51 -0.06 -0.55 8.42 8.17 1dy6A1 LYS 184 HA -0.85 0.10 0.46 -0.75 4.32 3.28 1dy6A1 LYS 184 HB2 -0.70 -0.02 0.05 -0.04 1.87 1.16 1dy6A1 LYS 184 HB3 -0.34 0.07 0.06 -0.04 1.79 1.53 1dy6A1 LYS 184 HG2 -0.54 -0.03 -0.31 -0.04 1.46 0.54 1dy6A1 LYS 184 HG3 -1.58 0.02 -0.03 -0.04 1.46 -0.17 1dy6A1 LYS 184 HD2 -0.25 0.00 -0.10 -0.04 1.69 1.31 1dy6A1 LYS 184 HD3 -0.25 0.03 -0.09 -0.04 1.68 1.33 1dy6A1 LYS 184 HE2 -0.14 0.04 -0.06 -0.04 2.99 2.79 1dy6A1 LYS 184 HE3 -0.27 -0.05 -0.08 -0.04 2.99 2.55 1dy6A1 ALA 185 H -0.16 0.16 -0.19 -0.55 8.40 7.66 1dy6A1 ALA 185 HA -0.15 0.10 0.37 -0.75 4.34 3.91 1dy6A1 ALA 185 HB3 -0.08 0.00 0.09 -0.04 1.41 1.38 1dy6A1 VAL 186 H -0.07 0.45 -0.33 -0.55 8.24 7.74 1dy6A1 VAL 186 HA 0.07 0.02 0.34 -0.75 4.13 3.80 1dy6A1 VAL 186 HB 0.07 0.13 0.02 -0.04 2.12 2.30 1dy6A1 VAL 186 HG13 0.16 -0.00 -0.18 -0.04 0.97 0.91 1dy6A1 VAL 186 HG23 0.05 0.02 -0.13 -0.04 0.95 0.86 1dy6A1 ALA 187 H 0.01 0.40 -0.30 -0.55 8.40 7.96 1dy6A1 ALA 187 HA 0.11 0.03 0.36 -0.75 4.34 4.09 1dy6A1 ALA 187 HB3 0.24 0.04 0.02 -0.04 1.41 1.68 1dy6A1 ASN 188 H -0.08 0.68 -0.07 -0.55 8.53 8.52 1dy6A1 ASN 188 HA 0.01 0.04 0.39 -0.75 4.76 4.44 1dy6A1 ASN 188 HB2 -0.12 0.03 0.12 -0.04 2.88 2.87 1dy6A1 ASN 188 HB3 -0.08 0.01 -0.02 -0.04 2.79 2.67 1dy6A1 ASN 188 HD21 -0.21 -0.04 -0.07 -0.04 7.03 6.68 1dy6A1 ASN 188 HD22 -0.18 -0.05 -0.11 -0.04 7.74 7.35 1dy6A1 SER 189 H -0.10 0.58 -0.17 -0.55 8.46 8.21 1dy6A1 SER 189 HA -0.16 0.08 0.41 -0.75 4.49 4.07 1dy6A1 SER 189 HB2 -0.40 0.05 0.08 -0.04 3.95 3.63 1dy6A1 SER 189 HB3 -0.59 -0.05 -0.04 -0.04 3.93 3.21 1dy6A1 LEU 190 H 0.05 0.50 -0.31 -0.55 8.37 8.06 1dy6A1 LEU 190 HA 0.31 -0.01 0.39 -0.75 4.35 4.28 1dy6A1 LEU 190 HB2 0.02 0.04 0.07 -0.04 1.64 1.73 1dy6A1 LEU 190 HB3 0.08 0.14 0.09 -0.04 1.64 1.90 1dy6A1 LEU 190 HG 0.11 -0.01 -0.22 -0.04 1.64 1.48 1dy6A1 LEU 190 HD13 0.24 -0.02 -0.06 -0.04 0.93 1.05 1dy6A1 LEU 190 HD23 0.19 -0.02 -0.21 -0.04 0.89 0.81 1dy6A1 ASN 191 H 0.04 0.46 -0.32 -0.55 8.53 8.17 1dy6A1 ASN 191 HA 0.03 0.02 0.38 -0.75 4.76 4.44 1dy6A1 ASN 191 HB2 0.04 0.10 0.09 -0.04 2.88 3.07 1dy6A1 ASN 191 HB3 0.02 0.13 0.15 -0.04 2.79 3.05 1dy6A1 ASN 191 HD21 0.02 0.01 -0.07 -0.04 7.03 6.94 1dy6A1 ASN 191 HD22 0.03 0.00 -0.05 -0.04 7.74 7.68 1dy6A1 LYS 192 H -0.00 0.60 -0.04 -0.55 8.42 8.42 1dy6A1 LYS 192 HA 0.00 -0.03 0.36 -0.75 4.32 3.90 1dy6A1 LYS 192 HB2 -0.07 0.08 0.11 -0.04 1.87 1.96 1dy6A1 LYS 192 HB3 -0.05 -0.08 0.07 -0.04 1.79 1.68 1dy6A1 LYS 192 HG2 -0.04 -0.08 0.07 -0.04 1.46 1.37 1dy6A1 LYS 192 HG3 -0.07 0.20 0.06 -0.04 1.46 1.62 1dy6A1 LYS 192 HD2 -0.12 0.10 0.08 -0.04 1.69 1.71 1dy6A1 LYS 192 HD3 -0.07 -0.09 0.03 -0.04 1.68 1.51 1dy6A1 LYS 192 HE2 -0.09 0.02 0.03 -0.04 2.99 2.91 1dy6A1 LYS 192 HE3 -0.07 -0.10 -0.05 -0.04 2.99 2.73 1dy6A1 LEU 193 H 0.07 0.53 -0.27 -0.55 8.37 8.15 1dy6A1 LEU 193 HA 0.04 -0.01 0.47 -0.75 4.35 4.09 1dy6A1 LEU 193 HB2 0.29 0.05 0.10 -0.04 1.64 2.03 1dy6A1 LEU 193 HB3 0.01 -0.07 -0.06 -0.04 1.64 1.48 1dy6A1 LEU 193 HG -0.02 0.13 0.03 -0.04 1.64 1.74 1dy6A1 LEU 193 HD13 0.19 -0.03 -0.10 -0.04 0.93 0.95 1dy6A1 LEU 193 HD23 0.03 -0.03 -0.10 -0.04 0.89 0.75 1dy6A1 ALA 194 H 0.23 0.66 0.01 -0.55 8.40 8.75 1dy6A1 ALA 194 HA 0.38 0.07 0.59 -0.75 4.34 4.64 1dy6A1 ALA 194 HB3 0.18 -0.01 0.06 -0.04 1.41 1.60 1dy6A1 LEU 195 H 0.10 0.38 -0.07 -0.55 8.37 8.24 1dy6A1 LEU 195 HA 0.12 0.16 0.93 -0.75 4.35 4.81 1dy6A1 LEU 195 HB2 0.04 0.05 0.00 -0.04 1.64 1.69 1dy6A1 LEU 195 HB3 0.05 -0.05 0.07 -0.04 1.64 1.67 1dy6A1 LEU 195 HG 0.01 -0.06 -0.20 -0.04 1.64 1.35 1dy6A1 LEU 195 HD13 -0.08 -0.02 -0.08 -0.04 0.93 0.71 1dy6A1 LEU 195 HD23 0.08 0.05 -0.11 -0.04 0.89 0.88 1dy6A1 GLY 196 H 0.06 0.11 -0.07 -0.55 8.43 7.98 1dy6A1 GLY 196 HA2 0.02 0.04 0.50 -0.51 4.01 4.07 1dy6A1 GLY 196 HA3 0.02 -0.05 0.50 -0.51 4.01 3.97 1dy6A1 ASN 197 H -0.00 0.07 0.14 -0.55 8.53 8.19 1dy6A1 ASN 197 HA 0.01 0.37 0.95 -0.75 4.76 5.34 1dy6A1 ASN 197 HB2 -0.01 -0.02 0.05 -0.04 2.88 2.86 1dy6A1 ASN 197 HB3 -0.00 -0.02 0.12 -0.04 2.79 2.85 1dy6A1 ASN 197 HD21 0.01 0.03 -0.05 -0.04 7.03 6.97 1dy6A1 ASN 197 HD22 -0.00 -0.02 -0.01 -0.04 7.74 7.67 1dy6A1 VAL 198 H -0.00 0.25 -0.07 -0.55 8.24 7.86 1dy6A1 VAL 198 HA -0.02 0.06 0.40 -0.75 4.13 3.82 1dy6A1 VAL 198 HB -0.01 0.03 -0.03 -0.04 2.12 2.07 1dy6A1 VAL 198 HG13 -0.00 -0.01 -0.12 -0.04 0.97 0.79 1dy6A1 VAL 198 HG23 -0.07 -0.00 -0.04 -0.04 0.95 0.81 1dy6A1 LEU 199 H 0.01 0.23 -0.20 -0.55 8.37 7.86 1dy6A1 LEU 199 HA -0.01 0.11 0.76 -0.75 4.35 4.46 1dy6A1 LEU 199 HB2 -0.00 0.11 -0.05 -0.04 1.64 1.67 1dy6A1 LEU 199 HB3 -0.04 -0.13 -0.11 -0.04 1.64 1.33 1dy6A1 LEU 199 HG -0.04 -0.05 -0.17 -0.04 1.64 1.34 1dy6A1 LEU 199 HD13 -0.21 0.04 -0.11 -0.04 0.93 0.61 1dy6A1 LEU 199 HD23 -0.05 0.03 -0.22 -0.04 0.89 0.62 1dy6A1 ASN 200 H -0.02 0.08 0.12 -0.55 8.53 8.17 1dy6A1 ASN 200 HA -0.00 0.23 0.50 -0.75 4.76 4.74 1dy6A1 ASN 200 HB2 -0.01 -0.01 0.16 -0.04 2.88 2.99 1dy6A1 ASN 200 HB3 -0.01 0.14 0.12 -0.04 2.79 3.00 1dy6A1 ASN 200 HD21 -0.02 0.02 0.07 -0.04 7.03 7.06 1dy6A1 ASN 200 HD22 -0.02 0.14 0.08 -0.04 7.74 7.90 1dy6A1 ALA 201 H -0.01 0.20 0.16 -0.55 8.40 8.20 1dy6A1 ALA 201 HA 0.00 0.18 0.32 -0.75 4.34 4.09 1dy6A1 ALA 201 HB3 -0.01 0.02 0.10 -0.04 1.41 1.49 1dy6A1 LYS 202 H -0.02 0.06 -0.26 -0.55 8.42 7.64 1dy6A1 LYS 202 HA -0.04 0.15 0.50 -0.75 4.32 4.18 1dy6A1 LYS 202 HB2 -0.03 0.02 0.07 -0.04 1.87 1.89 1dy6A1 LYS 202 HB3 -0.04 -0.01 0.04 -0.04 1.79 1.75 1dy6A1 LYS 202 HG2 -0.05 -0.01 -0.15 -0.04 1.46 1.21 1dy6A1 LYS 202 HG3 -0.04 0.02 0.04 -0.04 1.46 1.44 1dy6A1 LYS 202 HD2 -0.03 0.01 -0.01 -0.04 1.69 1.62 1dy6A1 LYS 202 HD3 -0.02 0.01 -0.00 -0.04 1.68 1.62 1dy6A1 LYS 202 HE2 -0.03 0.01 -0.03 -0.04 2.99 2.89 1dy6A1 LYS 202 HE3 -0.04 -0.02 -0.06 -0.04 2.99 2.83 1dy6A1 VAL 203 H -0.04 0.13 -0.07 -0.55 8.24 7.70 1dy6A1 VAL 203 HA -0.12 0.06 0.53 -0.75 4.13 3.84 1dy6A1 VAL 203 HB -0.05 -0.01 0.12 -0.04 2.12 2.15 1dy6A1 VAL 203 HG13 -0.11 0.05 -0.05 -0.04 0.97 0.83 1dy6A1 VAL 203 HG23 -0.06 -0.00 0.04 -0.04 0.95 0.89 1dy6A1 LYS 204 H -0.02 0.70 -0.24 -0.55 8.42 8.30 1dy6A1 LYS 204 HA 0.07 0.03 0.34 -0.75 4.32 4.01 1dy6A1 LYS 204 HB2 0.04 0.06 -0.17 -0.04 1.87 1.76 1dy6A1 LYS 204 HB3 0.02 -0.00 -0.12 -0.04 1.79 1.65 1dy6A1 LYS 204 HG2 0.09 -0.06 -0.22 -0.04 1.46 1.23 1dy6A1 LYS 204 HG3 0.16 -0.03 0.04 -0.04 1.46 1.58 1dy6A1 LYS 204 HD2 0.11 0.09 -0.34 -0.04 1.69 1.51 1dy6A1 LYS 204 HD3 0.08 0.08 -0.23 -0.04 1.68 1.56 1dy6A1 LYS 204 HE2 0.03 -0.11 -0.20 -0.04 2.99 2.68 1dy6A1 LYS 204 HE3 0.05 -0.10 -0.08 -0.04 2.99 2.82 1dy6A1 ALA 205 H -0.04 0.31 -0.40 -0.55 8.40 7.72 1dy6A1 ALA 205 HA -0.04 0.07 0.45 -0.75 4.34 4.07 1dy6A1 ALA 205 HB3 -0.06 0.06 0.12 -0.04 1.41 1.49 1dy6A1 ILE 206 H -0.16 0.29 -0.33 -0.55 8.25 7.50 1dy6A1 ILE 206 HA -0.29 0.04 0.41 -0.75 4.18 3.58 1dy6A1 ILE 206 HB -0.44 0.16 0.17 -0.04 1.89 1.74 1dy6A1 ILE 206 HG12 -0.17 -0.04 0.02 -0.04 1.49 1.25 1dy6A1 ILE 206 HG13 -0.16 0.25 0.14 -0.04 1.21 1.39 1dy6A1 ILE 206 HG23 -1.08 -0.03 -0.11 -0.04 0.93 -0.33 1dy6A1 ILE 206 HD13 -0.14 -0.04 -0.00 -0.04 0.88 0.65 1dy6A1 TYR 207 H -0.15 0.52 -0.11 -0.55 8.29 8.00 1dy6A1 TYR 207 HA -0.30 -0.04 0.34 -0.75 4.56 3.81 1dy6A1 TYR 207 HB2 -0.14 0.01 0.07 -0.04 3.06 2.96 1dy6A1 TYR 207 HB3 -0.04 0.20 0.15 -0.04 2.98 3.25 1dy6A1 TYR 207 HD2 0.16 0.06 -0.14 -0.04 7.15 7.19 1dy6A1 TYR 207 HE2 0.21 0.03 -0.10 -0.04 6.85 6.95 1dy6A1 GLN 208 H 0.04 0.69 -0.10 -0.55 8.47 8.55 1dy6A1 GLN 208 HA 0.04 -0.02 0.36 -0.75 4.36 3.99 1dy6A1 GLN 208 HB2 -0.02 0.08 0.16 -0.04 2.15 2.32 1dy6A1 GLN 208 HB3 0.03 -0.06 0.03 -0.04 2.02 1.98 1dy6A1 GLN 208 HG2 0.33 -0.06 0.12 -0.04 2.40 2.74 1dy6A1 GLN 208 HG3 0.16 0.30 0.18 -0.04 2.39 2.99 1dy6A1 GLN 208 HE21 0.23 -0.12 0.05 -0.04 6.97 7.08 1dy6A1 GLN 208 HE22 0.27 0.72 0.22 -0.04 7.69 8.86 1dy6A1 ASN 209 H -0.09 0.46 -0.32 -0.55 8.53 8.04 1dy6A1 ASN 209 HA -0.02 0.03 0.53 -0.75 4.76 4.55 1dy6A1 ASN 209 HB2 -0.06 0.12 0.14 -0.04 2.88 3.03 1dy6A1 ASN 209 HB3 0.03 -0.06 0.05 -0.04 2.79 2.76 1dy6A1 ASN 209 HD21 -0.14 -0.07 0.02 -0.04 7.03 6.79 1dy6A1 ASN 209 HD22 -0.10 0.43 0.16 -0.04 7.74 8.19 1dy6A1 TRP 210 H 0.09 0.49 -0.20 -0.55 7.97 7.80 1dy6A1 TRP 210 HA -0.00 0.02 0.56 -0.75 4.62 4.43 1dy6A1 TRP 210 HB2 0.02 0.19 0.21 -0.04 3.23 3.61 1dy6A1 TRP 210 HB3 0.02 -0.10 0.04 -0.04 3.23 3.14 1dy6A1 TRP 210 HD1 0.02 0.02 -0.09 -0.04 7.22 7.12 1dy6A1 TRP 210 HE1 0.03 -0.05 -0.06 -0.04 10.20 10.08 1dy6A1 TRP 210 HE3 0.20 0.02 -0.11 -0.04 7.59 7.66 1dy6A1 TRP 210 HZ2 0.02 -0.09 -0.04 -0.04 7.44 7.29 1dy6A1 TRP 210 HZ3 0.07 0.09 -0.09 -0.04 7.13 7.16 1dy6A1 TRP 210 HH2 0.02 -0.05 -0.03 -0.04 7.19 7.08 1dy6A1 LEU 211 H 0.05 0.54 -0.07 -0.55 8.37 8.34 1dy6A1 LEU 211 HA 0.01 0.06 0.40 -0.75 4.35 4.07 1dy6A1 LEU 211 HB2 0.03 0.23 0.20 -0.04 1.64 2.07 1dy6A1 LEU 211 HB3 0.03 -0.19 -0.09 -0.04 1.64 1.36 1dy6A1 LEU 211 HG -0.45 0.08 -0.01 -0.04 1.64 1.22 1dy6A1 LEU 211 HD13 -0.24 -0.01 -0.09 -0.04 0.93 0.54 1dy6A1 LEU 211 HD23 -0.02 -0.02 -0.14 -0.04 0.89 0.66 1dy6A1 LYS 212 H 0.08 0.53 0.02 -0.55 8.42 8.50 1dy6A1 LYS 212 HA 0.12 0.21 0.63 -0.75 4.32 4.53 1dy6A1 LYS 212 HB2 0.01 0.02 0.16 -0.04 1.87 2.02 1dy6A1 LYS 212 HB3 0.01 -0.03 0.07 -0.04 1.79 1.80 1dy6A1 LYS 212 HG2 0.09 -0.03 -0.11 -0.04 1.46 1.38 1dy6A1 LYS 212 HG3 0.05 0.20 0.05 -0.04 1.46 1.72 1dy6A1 LYS 212 HD2 -0.19 -0.04 -0.07 -0.04 1.69 1.35 1dy6A1 LYS 212 HD3 -0.20 -0.02 -0.02 -0.04 1.68 1.39 1dy6A1 LYS 212 HE2 -1.25 -0.01 -0.09 -0.04 2.99 1.60 1dy6A1 LYS 212 HE3 -0.93 -0.00 -0.12 -0.04 2.99 1.90 1dy6A1 GLY 213 H 0.07 0.26 -0.61 -0.55 8.43 7.60 1dy6A1 GLY 213 HA2 0.01 0.04 0.47 -0.51 4.01 4.01 1dy6A1 GLY 213 HA3 0.03 -0.04 0.34 -0.51 4.01 3.83 1dy6A1 ASN 214 H -0.02 0.47 -0.30 -0.55 8.53 8.13 1dy6A1 ASN 214 HA -0.15 -0.06 0.59 -0.75 4.76 4.39 1dy6A1 ASN 214 HB2 -0.07 0.29 0.33 -0.04 2.88 3.39 1dy6A1 ASN 214 HB3 -0.07 -0.08 0.16 -0.04 2.79 2.76 1dy6A1 ASN 214 HD21 -0.13 -0.15 -0.11 -0.04 7.03 6.60 1dy6A1 ASN 214 HD22 -0.10 0.03 -0.17 -0.04 7.74 7.46 1dy6A1 THR 215 H -0.27 0.41 0.41 -0.55 8.28 8.28 1dy6A1 THR 215 HA -0.11 0.23 0.89 -0.75 4.39 4.65 1dy6A1 THR 215 HB -0.15 -0.07 0.21 -0.04 4.32 4.27 1dy6A1 THR 215 HG23 -0.33 0.03 0.06 -0.04 1.22 0.93 1dy6A1 THR 216 H -0.13 0.11 -0.01 -0.55 8.28 7.71 1dy6A1 THR 216 HA -0.06 0.30 1.04 -0.75 4.39 4.92 1dy6A1 THR 216 HB -0.06 -0.02 0.12 -0.04 4.32 4.33 1dy6A1 THR 216 HG23 -0.05 0.05 -0.09 -0.04 1.22 1.08 1dy6A1 GLY 217 H -0.07 0.27 -0.20 -0.55 8.43 7.88 1dy6A1 GLY 217 HA2 -0.07 0.21 0.85 -0.51 4.01 4.49 1dy6A1 GLY 217 HA3 -0.08 0.04 0.25 -0.51 4.01 3.71 1dy6A1 ASP 218 H -0.04 0.22 -0.29 -0.55 8.40 7.75 1dy6A1 ASP 218 HA -0.02 0.13 0.26 -0.75 4.63 4.25 1dy6A1 ASP 218 HB2 -0.02 -0.01 -0.01 -0.04 2.71 2.63 1dy6A1 ASP 218 HB3 -0.02 0.06 -0.03 -0.04 2.70 2.67 1dy6A1 ALA 219 H -0.03 0.07 -0.39 -0.55 8.40 7.51 1dy6A1 ALA 219 HA -0.02 0.27 0.70 -0.75 4.34 4.53 1dy6A1 ALA 219 HB3 -0.01 -0.01 -0.01 -0.04 1.41 1.35 1dy6A1 ARG 220 H -0.04 0.31 -0.43 -0.55 8.46 7.75 1dy6A1 ARG 220 HA -0.04 0.28 0.89 -0.75 4.34 4.71 1dy6A1 ARG 220 HB2 -0.07 -0.01 0.12 -0.04 1.90 1.90 1dy6A1 ARG 220 HB3 -0.07 0.04 0.01 -0.04 1.80 1.73 1dy6A1 ARG 220 HG2 -0.06 0.04 -0.17 -0.04 1.67 1.44 1dy6A1 ARG 220 HG3 -0.06 -0.10 -0.24 -0.04 1.67 1.22 1dy6A1 ARG 220 HD2 -0.13 0.01 0.00 -0.04 3.22 3.07 1dy6A1 ARG 220 HD3 -0.12 0.04 -0.13 -0.04 3.22 2.97 1dy6A1 ILE 221 H -0.05 0.12 -0.00 -0.55 8.25 7.77 1dy6A1 ILE 221 HA -0.02 0.12 0.28 -0.75 4.18 3.80 1dy6A1 ILE 221 HB -0.02 -0.02 -0.07 -0.04 1.89 1.73 1dy6A1 ILE 221 HG12 -0.00 0.05 -0.12 -0.04 1.49 1.37 1dy6A1 ILE 221 HG13 -0.03 -0.09 -0.12 -0.04 1.21 0.93 1dy6A1 ILE 221 HG23 0.02 0.03 -0.26 -0.04 0.93 0.67 1dy6A1 ILE 221 HD13 0.02 0.00 -0.31 -0.04 0.88 0.55 1dy6A1 ARG 222 H -0.02 0.13 -0.28 -0.55 8.46 7.74 1dy6A1 ARG 222 HA 0.02 0.10 0.24 -0.75 4.34 3.94 1dy6A1 ARG 222 HB2 -0.01 0.03 -0.09 -0.04 1.90 1.79 1dy6A1 ARG 222 HB3 0.00 0.08 -0.07 -0.04 1.80 1.77 1dy6A1 ARG 222 HG2 0.03 0.05 -0.10 -0.04 1.67 1.61 1dy6A1 ARG 222 HG3 -0.00 -0.13 -0.14 -0.04 1.67 1.36 1dy6A1 ARG 222 HD2 -0.02 -0.15 -0.43 -0.04 3.22 2.57 1dy6A1 ARG 222 HD3 0.01 0.08 -0.09 -0.04 3.22 3.18 1dy6A1 ALA 223 H -0.03 0.15 -0.65 -0.55 8.40 7.32 1dy6A1 ALA 223 HA -0.04 0.14 0.55 -0.75 4.34 4.23 1dy6A1 ALA 223 HB3 -0.03 0.06 -0.05 -0.04 1.41 1.35 1dy6A1 SER 224 H -0.05 0.37 -0.46 -0.55 8.46 7.78 1dy6A1 SER 224 HA -0.09 0.12 0.72 -0.75 4.49 4.50 1dy6A1 SER 224 HB2 -0.07 -0.10 0.07 -0.04 3.95 3.81 1dy6A1 SER 224 HB3 -0.05 0.03 0.07 -0.04 3.93 3.94 1dy6A1 VAL 225 H -0.11 0.30 -0.38 -0.55 8.24 7.51 1dy6A1 VAL 225 HA -0.42 0.17 0.86 -0.75 4.13 3.99 1dy6A1 VAL 225 HB -0.38 -0.03 -0.01 -0.04 2.12 1.66 1dy6A1 VAL 225 HG13 0.03 -0.00 -0.28 -0.04 0.97 0.67 1dy6A1 VAL 225 HG23 0.03 0.05 -0.20 -0.04 0.95 0.79 1dy6A1 PRO 226 HA -0.25 0.05 0.43 -0.51 4.44 4.16 1dy6A1 PRO 226 HB2 -0.67 -0.08 0.02 -0.04 2.28 1.51 1dy6A1 PRO 226 HB3 -0.26 0.01 0.11 -0.04 2.02 1.83 1dy6A1 PRO 226 HG2 -0.85 0.04 0.05 -0.04 2.03 1.23 1dy6A1 PRO 226 HG3 -0.47 0.07 0.04 -0.04 2.03 1.62 1dy6A1 PRO 226 HD2 -2.45 0.07 0.14 -0.04 3.68 1.41 1dy6A1 PRO 226 HD3 -0.96 0.20 0.16 -0.04 3.65 3.01 1dy6A1 ALA 227 H -0.09 0.09 0.17 -0.55 8.40 8.03 1dy6A1 ALA 227 HA -0.01 0.22 0.40 -0.75 4.34 4.20 1dy6A1 ALA 227 HB3 -0.01 -0.01 0.10 -0.04 1.41 1.46 1dy6A1 ASP 228 H 0.05 -0.04 -0.29 -0.55 8.40 7.57 1dy6A1 ASP 228 HA 0.12 0.12 0.42 -0.75 4.63 4.54 1dy6A1 ASP 228 HB2 0.20 0.00 0.05 -0.04 2.71 2.92 1dy6A1 ASP 228 HB3 0.11 -0.02 0.05 -0.04 2.70 2.80 1dy6A1 TRP 229 H 0.33 0.31 -0.46 -0.55 7.97 7.60 1dy6A1 TRP 229 HA 0.07 0.11 0.53 -0.75 4.62 4.58 1dy6A1 TRP 229 HB2 0.04 0.16 -0.08 -0.04 3.23 3.30 1dy6A1 TRP 229 HB3 0.07 0.01 -0.23 -0.04 3.23 3.04 1dy6A1 TRP 229 HD1 0.03 -0.13 -0.32 -0.04 7.22 6.76 1dy6A1 TRP 229 HE1 0.02 0.03 0.01 -0.04 10.20 10.21 1dy6A1 TRP 229 HE3 0.01 0.02 -0.15 -0.04 7.59 7.44 1dy6A1 TRP 229 HZ2 0.00 0.01 -0.01 -0.04 7.44 7.41 1dy6A1 TRP 229 HZ3 -0.01 0.02 -0.07 -0.04 7.13 7.02 1dy6A1 TRP 229 HH2 -0.01 0.02 -0.04 -0.04 7.19 7.13 1dy6A1 VAL 230 H 0.27 0.45 0.21 -0.55 8.24 8.62 1dy6A1 VAL 230 HA 0.18 0.16 0.74 -0.75 4.13 4.46 1dy6A1 VAL 230 HB 0.28 -0.04 0.17 -0.04 2.12 2.49 1dy6A1 VAL 230 HG13 0.05 -0.00 -0.06 -0.04 0.97 0.91 1dy6A1 VAL 230 HG23 0.04 0.02 0.01 -0.04 0.95 0.97 1dy6A1 VAL 231 H 0.19 0.26 0.19 -0.55 8.24 8.34 1dy6A1 VAL 231 HA 0.25 0.29 1.08 -0.75 4.13 4.99 1dy6A1 VAL 231 HB 0.10 0.00 -0.01 -0.04 2.12 2.18 1dy6A1 VAL 231 HG13 0.06 -0.04 -0.31 -0.04 0.97 0.63 1dy6A1 VAL 231 HG23 0.16 0.02 -0.37 -0.04 0.95 0.73 1dy6A1 GLY 232 H 0.14 0.59 0.29 -0.55 8.43 8.91 1dy6A1 GLY 232 HA2 0.14 0.33 0.48 -0.51 4.01 4.45 1dy6A1 GLY 232 HA3 0.28 -0.01 0.21 -0.51 4.01 3.98 1dy6A1 ASP 233 H -0.00 0.55 0.22 -0.55 8.40 8.62 1dy6A1 ASP 233 HA -0.05 0.19 0.96 -0.75 4.63 4.98 1dy6A1 ASP 233 HB2 -0.12 0.11 0.13 -0.04 2.71 2.79 1dy6A1 ASP 233 HB3 -0.03 -0.04 -0.32 -0.04 2.70 2.27 1dy6A1 LYS 234 H -0.48 0.47 0.32 -0.55 8.42 8.18 1dy6A1 LYS 234 HA -0.25 0.12 0.78 -0.75 4.32 4.22 1dy6A1 LYS 234 HB2 -0.27 0.05 -0.03 -0.04 1.87 1.58 1dy6A1 LYS 234 HB3 -1.12 -0.03 0.16 -0.04 1.79 0.76 1dy6A1 LYS 234 HG2 -0.20 -0.18 0.07 -0.04 1.46 1.11 1dy6A1 LYS 234 HG3 -0.30 0.11 -0.14 -0.04 1.46 1.09 1dy6A1 LYS 234 HD2 -0.18 -0.07 0.22 -0.04 1.69 1.63 1dy6A1 LYS 234 HD3 -0.13 -0.05 0.08 -0.04 1.68 1.54 1dy6A1 LYS 234 HE2 -0.11 0.13 0.24 -0.04 2.99 3.20 1dy6A1 LYS 234 HE3 -0.16 -0.11 0.07 -0.04 2.99 2.75 1dy6A1 THR 235 H -0.20 0.13 0.10 -0.55 8.28 7.76 1dy6A1 THR 235 HA -0.24 0.19 0.86 -0.75 4.39 4.45 1dy6A1 THR 235 HB -0.15 0.02 0.09 -0.04 4.32 4.24 1dy6A1 THR 235 HG23 -0.13 0.03 -0.08 -0.04 1.22 0.99 1dy6A1 GLY 236 H -0.16 0.55 0.27 -0.55 8.43 8.54 1dy6A1 GLY 236 HA2 -0.03 0.01 0.73 -0.51 4.01 4.21 1dy6A1 GLY 236 HA3 -0.03 0.11 0.31 -0.51 4.01 3.89 1dy6A1 SER 237 H -0.00 0.18 0.10 -0.55 8.46 8.19 1dy6A1 SER 237 HA -0.06 0.26 1.05 -0.75 4.49 4.98 1dy6A1 SER 237 HB2 -0.02 0.02 0.19 -0.04 3.95 4.10 1dy6A1 SER 237 HB3 -0.03 0.00 0.11 -0.04 3.93 3.98 1dy6A1 CYS 238 H 0.09 0.61 0.19 -0.55 8.50 8.84 1dy6A1 CYS 238 HA 0.11 -0.05 0.50 -0.75 4.58 4.39 1dy6A1 CYS 238 HB2 0.13 0.10 0.24 -0.04 2.97 3.40 1dy6A1 CYS 238 HB3 0.13 0.29 0.10 -0.04 2.97 3.45 1dy6A1 GLY 239 H 0.16 0.09 -0.12 -0.55 8.43 8.02 1dy6A1 GLY 239 HA2 0.11 -0.05 0.28 -0.51 4.01 3.83 1dy6A1 GLY 239 HA3 0.09 0.10 0.49 -0.51 4.01 4.18 1dy6A1 ALA 240 H 0.13 0.11 -0.10 -0.55 8.40 8.00 1dy6A1 ALA 240 HA -0.01 0.22 0.66 -0.75 4.34 4.45 1dy6A1 ALA 240 HB3 0.14 0.05 -0.08 -0.04 1.41 1.48 1dy6A1 TYR 241 H -0.24 0.52 0.28 -0.55 8.29 8.30 1dy6A1 TYR 241 HA 0.00 0.27 0.19 -0.75 4.56 4.26 1dy6A1 TYR 241 HB2 0.04 0.13 -0.07 -0.04 3.06 3.12 1dy6A1 TYR 241 HB3 0.01 0.11 0.21 -0.04 2.98 3.27 1dy6A1 TYR 241 HD2 0.01 0.09 -0.29 -0.04 7.15 6.92 1dy6A1 TYR 241 HE2 0.00 0.02 0.04 -0.04 6.85 6.88 1dy6A1 GLY 242 H 0.05 0.31 -0.42 -0.55 8.43 7.83 1dy6A1 GLY 242 HA2 0.10 -0.14 -0.34 -0.51 4.01 3.12 1dy6A1 GLY 242 HA3 0.07 0.06 -0.10 -0.51 4.01 3.52 1dy6A1 THR 243 H 0.17 0.36 -0.34 -0.55 8.28 7.92 1dy6A1 THR 243 HA 0.18 0.34 0.73 -0.75 4.39 4.89 1dy6A1 THR 243 HB 0.16 -0.14 0.24 -0.04 4.32 4.53 1dy6A1 THR 243 HG23 0.18 0.02 0.01 -0.04 1.22 1.39 1dy6A1 ALA 244 H 0.11 0.54 0.40 -0.55 8.40 8.91 1dy6A1 ALA 244 HA -0.06 0.19 0.89 -0.75 4.34 4.61 1dy6A1 ALA 244 HB3 -0.19 -0.03 0.00 -0.04 1.41 1.14 1dy6A1 ASN 245 H -0.17 0.51 0.49 -0.55 8.53 8.81 1dy6A1 ASN 245 HA -0.24 0.13 0.70 -0.75 4.76 4.60 1dy6A1 ASN 245 HB2 -1.25 0.13 0.30 -0.04 2.88 2.02 1dy6A1 ASN 245 HB3 -0.49 -0.01 0.12 -0.04 2.79 2.37 1dy6A1 ASN 245 HD21 0.13 0.13 -0.29 -0.04 7.03 6.97 1dy6A1 ASN 245 HD22 0.09 0.13 -0.20 -0.04 7.74 7.72 1dy6A1 ASP 246 H -0.35 0.81 0.41 -0.55 8.40 8.72 1dy6A1 ASP 246 HA -0.27 0.18 0.65 -0.75 4.63 4.43 1dy6A1 ASP 246 HB2 -0.15 0.06 -0.20 -0.04 2.71 2.38 1dy6A1 ASP 246 HB3 -0.10 -0.03 0.00 -0.04 2.70 2.53 1dy6A1 TYR 247 H -0.39 0.41 0.35 -0.55 8.29 8.11 1dy6A1 TYR 247 HA 0.04 0.32 0.89 -0.75 4.56 5.05 1dy6A1 TYR 247 HB2 0.12 0.08 0.16 -0.04 3.06 3.38 1dy6A1 TYR 247 HB3 0.17 -0.04 0.10 -0.04 2.98 3.17 1dy6A1 TYR 247 HD2 0.10 0.01 -0.19 -0.04 7.15 7.03 1dy6A1 TYR 247 HE2 -0.12 -0.01 -0.13 -0.04 6.85 6.55 1dy6A1 ALA 248 H 0.15 0.62 0.41 -0.55 8.40 9.03 1dy6A1 ALA 248 HA 0.08 0.19 0.82 -0.75 4.34 4.67 1dy6A1 ALA 248 HB3 0.01 -0.02 -0.14 -0.04 1.41 1.22 1dy6A1 VAL 249 H -0.08 0.67 0.39 -0.55 8.24 8.67 1dy6A1 VAL 249 HA -0.27 0.23 1.01 -0.75 4.13 4.35 1dy6A1 VAL 249 HB -0.73 -0.04 0.18 -0.04 2.12 1.48 1dy6A1 VAL 249 HG13 -0.99 0.01 -0.08 -0.04 0.97 -0.12 1dy6A1 VAL 249 HG23 -0.08 -0.01 -0.06 -0.04 0.95 0.76 1dy6A1 ILE 250 H -0.30 0.80 0.36 -0.55 8.25 8.57 1dy6A1 ILE 250 HA -0.02 0.29 1.06 -0.75 4.18 4.76 1dy6A1 ILE 250 HB -0.01 -0.07 0.11 -0.04 1.89 1.88 1dy6A1 ILE 250 HG12 0.10 0.04 -0.22 -0.04 1.49 1.37 1dy6A1 ILE 250 HG13 -0.01 -0.08 -0.39 -0.04 1.21 0.69 1dy6A1 ILE 250 HG23 0.34 0.01 -0.24 -0.04 0.93 1.00 1dy6A1 ILE 250 HD13 0.11 -0.01 -0.19 -0.04 0.88 0.76 1dy6A1 TRP 251 H 0.32 0.79 0.20 -0.55 7.97 8.74 1dy6A1 TRP 251 HA -0.13 0.15 0.84 -0.75 4.62 4.73 1dy6A1 TRP 251 HB2 -0.03 -0.05 0.23 -0.04 3.23 3.34 1dy6A1 TRP 251 HB3 -0.08 0.05 0.11 -0.04 3.23 3.27 1dy6A1 TRP 251 HD1 -0.05 0.04 0.03 -0.04 7.22 7.19 1dy6A1 TRP 251 HE1 -0.01 0.02 -0.02 -0.04 10.20 10.15 1dy6A1 TRP 251 HE3 0.01 0.09 -0.28 -0.04 7.59 7.37 1dy6A1 TRP 251 HZ2 -0.00 0.06 -0.02 -0.04 7.44 7.44 1dy6A1 TRP 251 HZ3 -0.00 -0.04 -0.17 -0.04 7.13 6.88 1dy6A1 TRP 251 HH2 -0.02 -0.02 0.02 -0.04 7.19 7.12 1dy6A1 PRO 252 HA -1.91 -0.01 0.37 -0.51 4.44 2.38 1dy6A1 PRO 252 HB2 -0.70 -0.00 -0.23 -0.04 2.28 1.31 1dy6A1 PRO 252 HB3 -2.20 0.00 -0.00 -0.04 2.02 -0.22 1dy6A1 PRO 252 HG2 -0.54 0.09 -0.08 -0.04 2.03 1.46 1dy6A1 PRO 252 HG3 -1.06 -0.02 -0.11 -0.04 2.03 0.80 1dy6A1 PRO 252 HD2 -0.28 0.18 -0.28 -0.04 3.68 3.26 1dy6A1 PRO 252 HD3 -0.28 0.35 -0.29 -0.04 3.65 3.38 1dy6A1 LYS 254 H -0.86 0.08 0.06 -0.55 8.42 7.15 1dy6A1 LYS 254 HA -0.10 0.11 0.64 -0.75 4.32 4.23 1dy6A1 LYS 254 HB2 0.12 0.03 0.01 -0.04 1.87 1.99 1dy6A1 LYS 254 HB3 0.09 -0.03 0.07 -0.04 1.79 1.89 1dy6A1 LYS 254 HG2 0.02 -0.01 -0.06 -0.04 1.46 1.37 1dy6A1 LYS 254 HG3 0.02 0.04 0.06 -0.04 1.46 1.55 1dy6A1 LYS 254 HD2 0.05 -0.01 -0.00 -0.04 1.69 1.69 1dy6A1 LYS 254 HD3 0.11 0.02 0.00 -0.04 1.68 1.77 1dy6A1 LYS 254 HE2 0.17 -0.03 -0.02 -0.04 2.99 3.06 1dy6A1 LYS 254 HE3 0.08 0.01 -0.05 -0.04 2.99 2.99 1dy6A1 ASN 255 H -0.06 0.15 0.13 -0.55 8.53 8.21 1dy6A1 ASN 255 HA -0.04 0.00 0.28 -0.75 4.76 4.25 1dy6A1 ASN 255 HB2 -0.02 0.18 -0.10 -0.04 2.88 2.91 1dy6A1 ASN 255 HB3 -0.02 -0.02 0.19 -0.04 2.79 2.90 1dy6A1 ASN 255 HD21 -0.00 -0.01 0.00 -0.04 7.03 6.98 1dy6A1 ASN 255 HD22 -0.01 0.03 0.05 -0.04 7.74 7.76 1dy6A1 ARG 256 H -0.12 0.34 -0.23 -0.55 8.46 7.90 1dy6A1 ARG 256 HA -0.07 0.07 0.59 -0.75 4.34 4.17 1dy6A1 ARG 256 HB2 -0.17 0.10 -0.53 -0.04 1.90 1.26 1dy6A1 ARG 256 HB3 -0.29 0.02 -0.23 -0.04 1.80 1.26 1dy6A1 ARG 256 HG2 -0.10 -0.17 0.14 -0.04 1.67 1.50 1dy6A1 ARG 256 HG3 -0.07 0.02 0.09 -0.04 1.67 1.67 1dy6A1 ARG 256 HD2 -0.07 -0.02 -0.03 -0.04 3.22 3.06 1dy6A1 ARG 256 HD3 -0.21 0.03 -0.05 -0.04 3.22 2.94 1dy6A1 ALA 257 H -0.07 0.07 0.12 -0.55 8.40 7.97 1dy6A1 ALA 257 HA -0.02 0.15 0.62 -0.75 4.34 4.33 1dy6A1 ALA 257 HB3 -0.04 -0.02 0.08 -0.04 1.41 1.39 1dy6A1 PRO 258 HA -0.31 0.37 0.62 -0.51 4.44 4.60 1dy6A1 PRO 258 HB2 -0.19 -0.08 0.04 -0.04 2.28 2.01 1dy6A1 PRO 258 HB3 -0.64 0.05 0.06 -0.04 2.02 1.45 1dy6A1 PRO 258 HG2 0.06 0.04 0.08 -0.04 2.03 2.17 1dy6A1 PRO 258 HG3 0.06 0.07 0.11 -0.04 2.03 2.22 1dy6A1 PRO 258 HD2 -0.01 0.05 0.18 -0.04 3.68 3.85 1dy6A1 PRO 258 HD3 0.05 0.14 0.26 -0.04 3.65 4.06 1dy6A1 LEU 259 H -0.28 0.67 0.51 -0.55 8.37 8.73 1dy6A1 LEU 259 HA -0.08 0.18 1.12 -0.75 4.35 4.81 1dy6A1 LEU 259 HB2 -0.04 -0.10 0.13 -0.04 1.64 1.59 1dy6A1 LEU 259 HB3 -0.01 0.02 0.11 -0.04 1.64 1.72 1dy6A1 LEU 259 HG -0.15 0.09 -0.04 -0.04 1.64 1.51 1dy6A1 LEU 259 HD13 0.11 -0.02 -0.04 -0.04 0.93 0.94 1dy6A1 LEU 259 HD23 -0.05 0.01 0.04 -0.04 0.89 0.85 1dy6A1 ILE 260 H -0.03 0.61 0.42 -0.55 8.25 8.70 1dy6A1 ILE 260 HA -0.04 0.31 1.14 -0.75 4.18 4.83 1dy6A1 ILE 260 HB 0.04 -0.09 0.16 -0.04 1.89 1.96 1dy6A1 ILE 260 HG12 -0.07 -0.05 -0.28 -0.04 1.49 1.05 1dy6A1 ILE 260 HG13 0.00 -0.02 -0.06 -0.04 1.21 1.09 1dy6A1 ILE 260 HG23 0.08 0.05 -0.05 -0.04 0.93 0.97 1dy6A1 ILE 260 HD13 -0.07 0.03 -0.06 -0.04 0.88 0.73 1dy6A1 VAL 261 H 0.05 0.60 0.35 -0.55 8.24 8.70 1dy6A1 VAL 261 HA 0.09 0.26 1.12 -0.75 4.13 4.84 1dy6A1 VAL 261 HB 0.05 -0.05 0.03 -0.04 2.12 2.11 1dy6A1 VAL 261 HG13 0.06 -0.01 -0.18 -0.04 0.97 0.80 1dy6A1 VAL 261 HG23 0.04 0.00 -0.25 -0.04 0.95 0.70 1dy6A1 SER 262 H 0.17 0.61 0.32 -0.55 8.46 9.01 1dy6A1 SER 262 HA 0.25 0.15 1.12 -0.75 4.49 5.26 1dy6A1 SER 262 HB2 0.24 -0.05 -0.05 -0.04 3.95 4.06 1dy6A1 SER 262 HB3 0.26 0.02 0.23 -0.04 3.93 4.41 1dy6A1 ILE 263 H 0.07 0.80 0.39 -0.55 8.25 8.95 1dy6A1 ILE 263 HA 0.07 0.33 1.19 -0.75 4.18 5.02 1dy6A1 ILE 263 HB -0.06 -0.11 0.15 -0.04 1.89 1.82 1dy6A1 ILE 263 HG12 0.03 -0.04 -0.18 -0.04 1.49 1.26 1dy6A1 ILE 263 HG13 -0.01 0.03 -0.10 -0.04 1.21 1.09 1dy6A1 ILE 263 HG23 -0.02 0.01 -0.08 -0.04 0.93 0.79 1dy6A1 ILE 263 HD13 0.05 0.01 -0.26 -0.04 0.88 0.64 1dy6A1 TYR 264 H -0.05 0.72 0.40 -0.55 8.29 8.80 1dy6A1 TYR 264 HA -0.06 0.11 1.02 -0.75 4.56 4.88 1dy6A1 TYR 264 HB2 -0.68 -0.02 0.05 -0.04 3.06 2.37 1dy6A1 TYR 264 HB3 -0.38 0.06 -0.04 -0.04 2.98 2.58 1dy6A1 TYR 264 HD2 0.06 0.08 -0.34 -0.04 7.15 6.91 1dy6A1 TYR 264 HE2 0.19 -0.02 -0.13 -0.04 6.85 6.85 1dy6A1 THR 265 H 0.08 0.52 0.42 -0.55 8.28 8.75 1dy6A1 THR 265 HA 0.29 0.34 1.11 -0.75 4.39 5.38 1dy6A1 THR 265 HB 0.42 0.06 0.19 -0.04 4.32 4.95 1dy6A1 THR 265 HG23 0.08 -0.05 -0.20 -0.04 1.22 1.01 1dy6A1 THR 266 H 0.35 0.49 0.45 -0.55 8.28 9.02 1dy6A1 THR 266 HA 0.19 0.12 0.64 -0.75 4.39 4.58 1dy6A1 THR 266 HB 0.09 0.12 0.15 -0.04 4.32 4.65 1dy6A1 THR 266 HG23 0.27 -0.02 -0.13 -0.04 1.22 1.30 1dy6A1 ARG 267 H 0.10 0.73 0.31 -0.55 8.46 9.05 1dy6A1 ARG 267 HA -0.19 0.12 1.04 -0.75 4.34 4.55 1dy6A1 ARG 267 HB2 -0.02 0.05 -0.18 -0.04 1.90 1.71 1dy6A1 ARG 267 HB3 -0.05 -0.16 -0.16 -0.04 1.80 1.39 1dy6A1 ARG 267 HG2 -0.21 -0.05 0.02 -0.04 1.67 1.38 1dy6A1 ARG 267 HG3 -0.55 0.15 0.04 -0.04 1.67 1.27 1dy6A1 ARG 267 HD2 -0.95 -0.05 -0.11 -0.04 3.22 2.07 1dy6A1 ARG 267 HD3 -0.05 0.05 -0.15 -0.04 3.22 3.03 1dy6A1 LYS 268 H -0.08 0.39 0.30 -0.55 8.42 8.48 1dy6A1 LYS 268 HA 0.06 0.11 0.49 -0.75 4.32 4.22 1dy6A1 LYS 268 HB2 -0.01 -0.00 0.18 -0.04 1.87 2.00 1dy6A1 LYS 268 HB3 0.02 -0.05 0.10 -0.04 1.79 1.81 1dy6A1 LYS 268 HG2 -0.05 0.41 0.12 -0.04 1.46 1.90 1dy6A1 LYS 268 HG3 -0.01 -0.05 0.03 -0.04 1.46 1.40 1dy6A1 LYS 268 HD2 0.00 -0.04 -0.04 -0.04 1.69 1.57 1dy6A1 LYS 268 HD3 0.01 0.01 -0.13 -0.04 1.68 1.52 1dy6A1 LYS 268 HE2 -0.02 0.11 -0.25 -0.04 2.99 2.79 1dy6A1 LYS 268 HE3 0.01 -0.02 -0.17 -0.04 2.99 2.77 1dy6A1 SER 269 H -0.00 0.11 0.01 -0.55 8.46 8.03 1dy6A1 SER 269 HA 0.03 0.26 1.08 -0.75 4.49 5.11 1dy6A1 SER 269 HB2 -0.05 -0.03 0.07 -0.04 3.95 3.90 1dy6A1 SER 269 HB3 -0.06 -0.06 0.08 -0.04 3.93 3.85 1dy6A1 LYS 270 H -0.30 0.21 0.22 -0.55 8.42 8.00 1dy6A1 LYS 270 HA -1.76 0.07 0.46 -0.75 4.32 2.34 1dy6A1 LYS 270 HB2 -0.70 0.08 0.20 -0.04 1.87 1.40 1dy6A1 LYS 270 HB3 -0.30 -0.04 0.17 -0.04 1.79 1.58 1dy6A1 LYS 270 HG2 -0.25 0.02 -0.14 -0.04 1.46 1.04 1dy6A1 LYS 270 HG3 -0.45 0.04 0.12 -0.04 1.46 1.13 1dy6A1 LYS 270 HD2 -0.04 0.02 0.06 -0.04 1.69 1.69 1dy6A1 LYS 270 HD3 -0.10 -0.02 0.03 -0.04 1.68 1.55 1dy6A1 LYS 270 HE2 -0.02 0.04 0.03 -0.04 2.99 3.01 1dy6A1 LYS 270 HE3 -0.01 -0.01 0.02 -0.04 2.99 2.95 1dy6A1 ASP 271 H -0.18 0.03 -0.23 -0.55 8.40 7.47 1dy6A1 ASP 271 HA -0.12 0.20 0.62 -0.75 4.63 4.57 1dy6A1 ASP 271 HB2 -0.08 -0.03 0.02 -0.04 2.71 2.58 1dy6A1 ASP 271 HB3 -0.06 0.02 0.08 -0.04 2.70 2.70 1dy6A1 ASP 272 H -0.12 0.37 -0.39 -0.55 8.40 7.71 1dy6A1 ASP 272 HA -0.05 0.01 0.40 -0.75 4.63 4.24 1dy6A1 ASP 272 HB2 -0.04 0.13 -0.08 -0.04 2.71 2.68 1dy6A1 ASP 272 HB3 -0.04 0.14 -0.09 -0.04 2.70 2.67 1dy6A1 LYS 273 H -0.04 0.12 0.19 -0.55 8.42 8.13 1dy6A1 LYS 273 HA -0.09 0.08 0.71 -0.75 4.32 4.26 1dy6A1 LYS 273 HB2 -0.07 -0.01 0.13 -0.04 1.87 1.87 1dy6A1 LYS 273 HB3 -0.20 0.03 0.07 -0.04 1.79 1.65 1dy6A1 LYS 273 HG2 -0.10 0.00 0.02 -0.04 1.46 1.34 1dy6A1 LYS 273 HG3 -0.07 0.08 0.02 -0.04 1.46 1.45 1dy6A1 LYS 273 HD2 -0.06 0.00 0.02 -0.04 1.69 1.61 1dy6A1 LYS 273 HD3 -0.06 -0.01 0.03 -0.04 1.68 1.60 1dy6A1 LYS 273 HE2 -0.16 0.03 0.02 -0.04 2.99 2.85 1dy6A1 LYS 273 HE3 -0.16 -0.02 0.03 -0.04 2.99 2.80 1dy6A1 HIS 274 H -0.32 0.05 0.04 -0.55 8.41 7.63 1dy6A1 HIS 274 HA 0.10 0.31 0.41 -0.75 4.63 4.70 1dy6A1 HIS 274 HB2 0.07 -0.01 -0.14 -0.04 3.26 3.15 1dy6A1 HIS 274 HB3 0.07 -0.01 -0.44 -0.04 3.20 2.78 1dy6A1 HIS 274 HD2 0.03 -0.13 -0.42 -0.04 6.97 6.40 1dy6A1 HIS 274 HE1 0.01 0.04 -0.01 -0.04 7.75 7.74 1dy6A1 SER 275 H 0.28 0.26 0.04 -0.55 8.46 8.50 1dy6A1 SER 275 HA 0.14 0.19 0.99 -0.75 4.49 5.06 1dy6A1 SER 275 HB2 0.25 0.19 -0.08 -0.04 3.95 4.27 1dy6A1 SER 275 HB3 0.22 0.05 0.13 -0.04 3.93 4.30 1dy6A1 ASP 276 H 0.14 0.27 0.05 -0.55 8.40 8.31 1dy6A1 ASP 276 HA 0.01 0.07 0.41 -0.75 4.63 4.37 1dy6A1 ASP 276 HB2 0.04 -0.01 0.08 -0.04 2.71 2.78 1dy6A1 ASP 276 HB3 0.00 0.23 -0.10 -0.04 2.70 2.79 1dy6A1 LYS 277 H 0.02 0.10 -0.06 -0.55 8.42 7.93 1dy6A1 LYS 277 HA -0.03 0.16 0.39 -0.75 4.32 4.10 1dy6A1 LYS 277 HB2 -0.00 -0.01 0.10 -0.04 1.87 1.91 1dy6A1 LYS 277 HB3 -0.02 0.04 -0.07 -0.04 1.79 1.70 1dy6A1 LYS 277 HG2 -0.02 0.03 -0.04 -0.04 1.46 1.39 1dy6A1 LYS 277 HG3 -0.03 0.01 0.04 -0.04 1.46 1.43 1dy6A1 LYS 277 HD2 -0.02 0.04 -0.01 -0.04 1.69 1.67 1dy6A1 LYS 277 HD3 -0.02 0.02 0.01 -0.04 1.68 1.65 1dy6A1 LYS 277 HE2 0.00 -0.08 0.02 -0.04 2.99 2.90 1dy6A1 LYS 277 HE3 -0.00 0.02 -0.00 -0.04 2.99 2.96 1dy6A1 THR 278 H -0.04 0.10 -0.44 -0.55 8.28 7.34 1dy6A1 THR 278 HA -0.16 0.10 0.44 -0.75 4.39 4.02 1dy6A1 THR 278 HB -0.22 0.12 0.03 -0.04 4.32 4.20 1dy6A1 THR 278 HG23 -0.70 0.01 -0.12 -0.04 1.22 0.37 1dy6A1 ILE 279 H -0.05 0.28 -0.33 -0.55 8.25 7.60 1dy6A1 ILE 279 HA -0.06 0.05 0.37 -0.75 4.18 3.80 1dy6A1 ILE 279 HB -0.04 0.13 0.17 -0.04 1.89 2.11 1dy6A1 ILE 279 HG12 -0.04 0.01 -0.13 -0.04 1.49 1.29 1dy6A1 ILE 279 HG13 -0.01 0.07 -0.02 -0.04 1.21 1.21 1dy6A1 ILE 279 HG23 -0.06 -0.02 -0.21 -0.04 0.93 0.59 1dy6A1 ILE 279 HD13 -0.05 -0.02 -0.23 -0.04 0.88 0.54 1dy6A1 ALA 280 H -0.05 0.65 -0.02 -0.55 8.40 8.43 1dy6A1 ALA 280 HA -0.04 0.04 0.12 -0.75 4.34 3.71 1dy6A1 ALA 280 HB3 -0.04 0.05 -0.03 -0.04 1.41 1.35 1dy6A1 GLU 281 H -0.07 0.43 -0.37 -0.55 8.60 8.04 1dy6A1 GLU 281 HA -0.06 0.06 0.40 -0.75 4.29 3.94 1dy6A1 GLU 281 HB2 -0.07 0.06 0.08 -0.04 2.09 2.12 1dy6A1 GLU 281 HB3 -0.09 0.05 0.10 -0.04 1.99 2.01 1dy6A1 GLU 281 HG2 -0.08 -0.01 -0.05 -0.04 2.34 2.16 1dy6A1 GLU 281 HG3 -0.08 -0.03 -0.23 -0.04 2.34 1.96 1dy6A1 ALA 282 H -0.08 0.60 -0.20 -0.55 8.40 8.17 1dy6A1 ALA 282 HA -0.06 -0.01 0.38 -0.75 4.34 3.89 1dy6A1 ALA 282 HB3 -0.04 0.02 0.05 -0.04 1.41 1.40 1dy6A1 SER 283 H -0.04 0.49 -0.47 -0.55 8.46 7.90 1dy6A1 SER 283 HA 0.01 -0.05 0.29 -0.75 4.49 3.98 1dy6A1 SER 283 HB2 -0.02 0.01 -0.01 -0.04 3.95 3.90 1dy6A1 SER 283 HB3 -0.03 0.27 0.10 -0.04 3.93 4.23 1dy6A1 ARG 284 H -0.05 0.50 -0.13 -0.55 8.46 8.23 1dy6A1 ARG 284 HA -0.07 0.11 0.34 -0.75 4.34 3.97 1dy6A1 ARG 284 HB2 -0.07 0.09 0.19 -0.04 1.90 2.07 1dy6A1 ARG 284 HB3 -0.08 -0.07 -0.05 -0.04 1.80 1.56 1dy6A1 ARG 284 HG2 -0.09 0.15 0.10 -0.04 1.67 1.78 1dy6A1 ARG 284 HG3 -0.07 0.11 0.08 -0.04 1.67 1.75 1dy6A1 ARG 284 HD2 -0.07 -0.06 -0.02 -0.04 3.22 3.03 1dy6A1 ARG 284 HD3 -0.08 -0.05 -0.03 -0.04 3.22 3.02 1dy6A1 ILE 285 H -0.07 0.54 -0.22 -0.55 8.25 7.94 1dy6A1 ILE 285 HA -0.12 0.02 0.42 -0.75 4.18 3.74 1dy6A1 ILE 285 HB -0.09 0.08 0.09 -0.04 1.89 1.93 1dy6A1 ILE 285 HG12 -0.09 -0.06 -0.01 -0.04 1.49 1.28 1dy6A1 ILE 285 HG13 -0.08 0.31 0.06 -0.04 1.21 1.46 1dy6A1 ILE 285 HG23 -0.20 -0.01 -0.04 -0.04 0.93 0.65 1dy6A1 ILE 285 HD13 -0.09 -0.04 -0.15 -0.04 0.88 0.56 1dy6A1 ALA 286 H -0.05 0.64 -0.14 -0.55 8.40 8.30 1dy6A1 ALA 286 HA -0.21 -0.04 0.33 -0.75 4.34 3.67 1dy6A1 ALA 286 HB3 0.11 0.02 0.01 -0.04 1.41 1.51 1dy6A1 ILE 287 H -0.03 0.59 -0.26 -0.55 8.25 8.01 1dy6A1 ILE 287 HA 0.02 -0.00 0.31 -0.75 4.18 3.76 1dy6A1 ILE 287 HB -0.01 0.19 0.06 -0.04 1.89 2.09 1dy6A1 ILE 287 HG12 0.07 -0.10 -0.08 -0.04 1.49 1.34 1dy6A1 ILE 287 HG13 0.02 0.24 0.01 -0.04 1.21 1.44 1dy6A1 ILE 287 HG23 0.14 -0.02 -0.11 -0.04 0.93 0.90 1dy6A1 ILE 287 HD13 0.06 -0.01 -0.17 -0.04 0.88 0.73 1dy6A1 GLN 288 H -0.09 0.37 -0.38 -0.55 8.47 7.82 1dy6A1 GLN 288 HA -0.04 0.04 0.51 -0.75 4.36 4.12 1dy6A1 GLN 288 HB2 -0.12 0.16 0.17 -0.04 2.15 2.32 1dy6A1 GLN 288 HB3 -0.09 -0.09 0.03 -0.04 2.02 1.84 1dy6A1 GLN 288 HG2 -0.05 -0.07 0.02 -0.04 2.40 2.26 1dy6A1 GLN 288 HG3 -0.06 0.09 0.01 -0.04 2.39 2.39 1dy6A1 GLN 288 HE21 -0.07 -0.06 -0.07 -0.04 6.97 6.73 1dy6A1 GLN 288 HE22 -0.07 0.02 -0.04 -0.04 7.69 7.56 1dy6A1 ALA 289 H -0.22 0.36 -0.23 -0.55 8.40 7.76 1dy6A1 ALA 289 HA -0.20 0.09 0.44 -0.75 4.34 3.92 1dy6A1 ALA 289 HB3 -0.68 -0.00 0.10 -0.04 1.41 0.78 1dy6A1 ILE 290 H -0.06 0.26 -0.62 -0.55 8.25 7.28 1dy6A1 ILE 290 HA -0.01 0.16 0.67 -0.75 4.18 4.25 1dy6A1 ILE 290 HB -0.01 -0.08 -0.02 -0.04 1.89 1.74 1dy6A1 ILE 290 HG12 0.00 -0.11 -0.21 -0.04 1.49 1.13 1dy6A1 ILE 290 HG13 -0.01 0.16 -0.05 -0.04 1.21 1.27 1dy6A1 ILE 290 HG23 0.02 -0.00 -0.48 -0.04 0.93 0.43 1dy6A1 ILE 290 HD13 0.02 -0.03 -0.16 -0.04 0.88 0.67 1dy6A1 ASP 291 H -0.02 0.28 -0.52 -0.55 8.40 7.59 1dy6A1 ASP 291 HA 0.02 0.18 0.52 -0.75 4.63 4.59 1dy6A1 ASP 291 HB2 0.00 0.11 0.12 -0.04 2.71 2.91 1dy6A1 ASP 291 HB3 0.00 -0.02 0.09 -0.04 2.70 2.73