============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. HIS 2 0.900 3.233 3.546 37.955 -99.200 -91.000 TRP 11 1.040 -0.774 8.082 55.733 -99.200 -91.000 TRP6 11 1.020 -3.065 8.516 56.133 -99.200 -91.000 PHE 25 1.000 -5.619 30.734 74.147 -99.200 -91.000 TYR 41 0.840 -10.586 17.684 59.369 -99.200 -91.000 TYR 45 0.840 -1.181 16.754 64.468 -99.200 -91.000 TRP 50 1.040 -5.712 22.391 74.293 -99.200 -91.000 TRP6 50 1.020 -5.781 24.754 74.192 -99.200 -91.000 TYR 55 0.840 -18.204 30.801 71.988 -99.200 -91.000 PHE 56 1.000 -10.792 28.217 73.724 -99.200 -91.000 TRP 57 1.040 -10.751 32.789 65.857 -99.200 -91.000 TRP6 57 1.020 -11.940 33.753 67.659 -99.200 -91.000 PHE 58 1.000 -5.408 26.672 65.279 -99.200 -91.000 HIS 60 0.900 -1.894 33.126 56.679 -99.200 -91.000 TRP 67 1.040 -12.131 23.819 63.246 -99.200 -91.000 TRP6 67 1.020 -12.918 21.604 62.938 -99.200 -91.000 TYR 69 0.840 -12.396 24.300 53.867 -99.200 -91.000 PHE 75 1.000 2.100 25.555 52.700 -99.200 -91.000 PHE 81 1.000 15.081 20.709 48.810 -99.200 -91.000 PHE 91 1.000 7.518 30.150 58.080 -99.200 -91.000 HIS 95 0.900 -1.684 34.865 67.474 -99.200 -91.000 PHE 119 1.000 -16.738 19.218 58.927 -99.200 -91.000 TRP 120 1.040 -12.392 12.309 58.099 -99.200 -91.000 TRP6 120 1.020 -12.378 9.968 58.422 -99.200 -91.000 PHE 121 1.000 -16.583 8.247 60.676 -99.200 -91.000 HIS 122 0.900 -22.099 16.809 57.219 -99.200 -91.000 TRP 124 1.040 -14.212 10.196 54.179 -99.200 -91.000 TRP6 124 1.020 -13.640 9.241 52.094 -99.200 -91.000 PHE 129 1.000 -26.953 11.862 47.607 -99.200 -91.000 PHE 149 1.000 -12.307 5.989 56.452 -99.200 -91.000 TRP 150 1.040 -11.076 10.122 64.261 -99.200 -91.000 TRP6 150 1.020 -10.726 12.079 62.972 -99.200 -91.000 PHE 158 1.000 -0.695 4.377 52.280 -99.200 -91.000 PHE 161 1.000 -7.559 7.664 54.273 -99.200 -91.000 HIS 175 0.900 -23.452 13.565 39.718 -99.200 -91.000 TRP 222 1.040 -4.995 24.552 32.640 -99.200 -91.000 TRP6 222 1.020 -7.168 24.847 33.520 -99.200 -91.000 HIS 223 0.900 -1.699 17.242 29.545 -99.200 -91.000 TYR 227 0.840 -12.110 7.585 38.304 -99.200 -91.000 TYR 230 0.840 -12.596 11.740 44.055 -99.200 -91.000 PHE 236 1.000 -8.134 14.379 56.603 -99.200 -91.000 PHE 239 1.000 -16.268 17.144 49.687 -99.200 -91.000 TYR 241 0.840 -10.828 20.207 49.800 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2dymE1 ALA -1 HA -0.03 0.01 0.21 -0.75 4.34 3.78 2dymE1 ALA -1 HB3 -0.16 0.01 0.03 -0.04 1.41 1.25 2dymE1 HIS 0 H -0.04 0.22 0.11 -0.55 8.41 8.15 2dymE1 HIS 0 HA 0.02 0.07 0.44 -0.75 4.63 4.41 2dymE1 HIS 0 HB2 0.02 -0.01 0.16 -0.04 3.26 3.39 2dymE1 HIS 0 HB3 0.02 0.05 0.03 -0.04 3.20 3.25 2dymE1 HIS 0 HD2 0.02 0.03 0.08 -0.04 6.97 7.05 2dymE1 HIS 0 HE1 0.01 0.01 0.00 -0.04 7.75 7.74 2dymE1 MET 1 H 0.12 0.16 -0.03 -0.55 8.47 8.18 2dymE1 MET 1 HA 0.08 0.12 0.42 -0.75 4.52 4.38 2dymE1 MET 1 HB2 0.06 -0.01 0.08 -0.04 2.15 2.25 2dymE1 MET 1 HB3 0.06 -0.01 0.03 -0.04 2.03 2.07 2dymE1 MET 1 HG2 0.07 0.01 -0.12 -0.04 2.63 2.54 2dymE1 MET 1 HG3 0.04 0.04 0.01 -0.04 2.56 2.61 2dymE1 MET 1 HE3 0.00 -0.01 -0.09 -0.04 2.10 1.96 2dymE1 ASN 2 H 0.07 0.10 -0.38 -0.55 8.53 7.77 2dymE1 ASN 2 HA 0.17 0.10 0.44 -0.75 4.76 4.71 2dymE1 ASN 2 HB2 0.08 -0.01 0.04 -0.04 2.88 2.95 2dymE1 ASN 2 HB3 0.05 0.11 0.05 -0.04 2.79 2.96 2dymE1 ASN 2 HD21 0.36 -0.03 -0.02 -0.04 7.03 7.30 2dymE1 ASN 2 HD22 0.14 0.02 0.00 -0.04 7.74 7.86 2dymE1 ASP 3 H 0.03 0.53 -0.12 -0.55 8.40 8.30 2dymE1 ASP 3 HA -0.02 0.01 0.44 -0.75 4.63 4.31 2dymE1 ASP 3 HB2 0.01 0.07 0.19 -0.04 2.71 2.95 2dymE1 ASP 3 HB3 -0.01 -0.04 0.01 -0.04 2.70 2.62 2dymE1 ILE 4 H 0.06 0.61 -0.04 -0.55 8.25 8.33 2dymE1 ILE 4 HA 0.04 -0.00 0.42 -0.75 4.18 3.88 2dymE1 ILE 4 HB 0.06 0.10 0.20 -0.04 1.89 2.21 2dymE1 ILE 4 HG12 0.04 -0.04 0.03 -0.04 1.49 1.49 2dymE1 ILE 4 HG13 0.07 0.08 0.12 -0.04 1.21 1.44 2dymE1 ILE 4 HG23 0.04 0.01 -0.13 -0.04 0.93 0.81 2dymE1 ILE 4 HD13 0.05 -0.03 -0.07 -0.04 0.88 0.79 2dymE1 LYS 5 H 0.12 0.50 -0.18 -0.55 8.42 8.31 2dymE1 LYS 5 HA 0.17 0.10 0.47 -0.75 4.32 4.31 2dymE1 LYS 5 HB2 0.30 0.00 0.17 -0.04 1.87 2.30 2dymE1 LYS 5 HB3 0.41 -0.08 0.03 -0.04 1.79 2.12 2dymE1 LYS 5 HG2 0.17 0.09 0.07 -0.04 1.46 1.75 2dymE1 LYS 5 HG3 0.12 0.12 0.14 -0.04 1.46 1.81 2dymE1 LYS 5 HD2 0.11 -0.11 -0.04 -0.04 1.69 1.61 2dymE1 LYS 5 HD3 0.16 -0.07 -0.01 -0.04 1.68 1.72 2dymE1 LYS 5 HE2 0.11 0.10 0.03 -0.04 2.99 3.18 2dymE1 LYS 5 HE3 0.07 0.00 0.07 -0.04 2.99 3.09 2dymE1 GLN 6 H 0.00 0.52 -0.22 -0.55 8.47 8.23 2dymE1 GLN 6 HA -0.78 -0.02 0.43 -0.75 4.36 3.24 2dymE1 GLN 6 HB2 -0.14 0.15 0.25 -0.04 2.15 2.37 2dymE1 GLN 6 HB3 -0.22 -0.04 -0.03 -0.04 2.02 1.69 2dymE1 GLN 6 HG2 -0.69 0.02 0.06 -0.04 2.40 1.74 2dymE1 GLN 6 HG3 -0.23 -0.05 0.01 -0.04 2.39 2.08 2dymE1 GLN 6 HE21 -0.27 -0.03 0.02 -0.04 6.97 6.65 2dymE1 GLN 6 HE22 -0.22 -0.02 -0.00 -0.04 7.69 7.41 2dymE1 LEU 7 H -0.02 0.54 -0.17 -0.55 8.37 8.17 2dymE1 LEU 7 HA -0.04 -0.01 0.41 -0.75 4.35 3.95 2dymE1 LEU 7 HB2 0.00 0.20 0.22 -0.04 1.64 2.02 2dymE1 LEU 7 HB3 -0.01 -0.01 -0.04 -0.04 1.64 1.55 2dymE1 LEU 7 HG -0.02 -0.03 0.02 -0.04 1.64 1.56 2dymE1 LEU 7 HD13 -0.04 -0.02 -0.01 -0.04 0.93 0.83 2dymE1 LEU 7 HD23 0.00 0.02 -0.05 -0.04 0.89 0.82 2dymE1 LEU 8 H 0.07 0.44 -0.14 -0.55 8.37 8.19 2dymE1 LEU 8 HA 0.02 0.02 0.51 -0.75 4.35 4.14 2dymE1 LEU 8 HB2 0.17 0.11 0.17 -0.04 1.64 2.04 2dymE1 LEU 8 HB3 0.10 -0.08 0.05 -0.04 1.64 1.66 2dymE1 LEU 8 HG 0.07 0.29 0.10 -0.04 1.64 2.07 2dymE1 LEU 8 HD13 0.10 0.01 0.03 -0.04 0.93 1.02 2dymE1 LEU 8 HD23 0.03 -0.04 0.00 -0.04 0.89 0.84 2dymE1 TRP 9 H 0.25 0.56 -0.08 -0.55 7.97 8.14 2dymE1 TRP 9 HA -0.09 -0.02 0.46 -0.75 4.62 4.21 2dymE1 TRP 9 HB2 0.11 0.09 0.16 -0.04 3.23 3.55 2dymE1 TRP 9 HB3 -0.21 0.08 0.14 -0.04 3.23 3.20 2dymE1 TRP 9 HD1 -0.07 0.01 -0.06 -0.04 7.22 7.05 2dymE1 TRP 9 HE1 0.04 0.23 -0.17 -0.04 10.20 10.26 2dymE1 TRP 9 HE3 -0.21 0.02 0.01 -0.04 7.59 7.37 2dymE1 TRP 9 HZ2 -0.05 0.02 -0.28 -0.04 7.44 7.08 2dymE1 TRP 9 HZ3 -1.15 -0.02 -0.01 -0.04 7.13 5.91 2dymE1 TRP 9 HH2 -0.21 -0.06 -0.21 -0.04 7.19 6.67 2dymE1 ASN 10 H 0.02 0.39 -0.30 -0.55 8.53 8.09 2dymE1 ASN 10 HA -0.13 0.09 0.65 -0.75 4.76 4.61 2dymE1 ASN 10 HB2 -0.06 0.07 0.09 -0.04 2.88 2.94 2dymE1 ASN 10 HB3 -0.07 -0.09 0.11 -0.04 2.79 2.69 2dymE1 ASN 10 HD21 -0.08 -0.10 -0.01 -0.04 7.03 6.80 2dymE1 ASN 10 HD22 -0.07 -0.04 -0.04 -0.04 7.74 7.55 2dymE1 GLY 11 H -0.10 0.27 -0.50 -0.55 8.43 7.55 2dymE1 GLY 11 HA2 -0.13 -0.01 0.44 -0.51 4.01 3.81 2dymE1 GLY 11 HA3 -0.13 -0.00 0.36 -0.51 4.01 3.73 2dymE1 GLU 12 H -0.18 0.24 0.24 -0.55 8.60 8.36 2dymE1 GLU 12 HA -0.24 0.03 0.68 -0.75 4.29 4.00 2dymE1 GLU 12 HB2 -0.18 0.22 -0.34 -0.04 2.09 1.75 2dymE1 GLU 12 HB3 -0.16 -0.05 -0.06 -0.04 1.99 1.68 2dymE1 GLU 12 HG2 -0.19 -0.03 -0.23 -0.04 2.34 1.86 2dymE1 GLU 12 HG3 -0.23 -0.04 -0.39 -0.04 2.34 1.65 2dymE1 LEU 13 H -0.25 0.64 0.15 -0.55 8.37 8.37 2dymE1 LEU 13 HA -0.26 0.21 1.07 -0.75 4.35 4.63 2dymE1 LEU 13 HB2 -0.28 0.07 -0.03 -0.04 1.64 1.36 2dymE1 LEU 13 HB3 -0.34 0.06 -0.08 -0.04 1.64 1.23 2dymE1 LEU 13 HG -0.36 -0.09 -0.43 -0.04 1.64 0.72 2dymE1 LEU 13 HD13 -0.37 -0.01 -0.20 -0.04 0.93 0.32 2dymE1 LEU 13 HD23 -0.90 0.02 -0.08 -0.04 0.89 -0.11 2dymE1 ASN 14 H -0.15 0.22 0.21 -0.55 8.53 8.27 2dymE1 ASN 14 HA -0.08 0.16 0.75 -0.75 4.76 4.84 2dymE1 ASN 14 HB2 0.05 0.14 0.33 -0.04 2.88 3.35 2dymE1 ASN 14 HB3 -0.01 -0.01 0.03 -0.04 2.79 2.75 2dymE1 ASN 14 HD21 -0.06 -0.06 0.05 -0.04 7.03 6.92 2dymE1 ASN 14 HD22 -0.01 0.31 0.16 -0.04 7.74 8.15 2dymE1 VAL 15 H -0.06 0.75 0.38 -0.55 8.24 8.77 2dymE1 VAL 15 HA 0.04 0.16 1.10 -0.75 4.13 4.67 2dymE1 VAL 15 HB -0.11 -0.02 -0.02 -0.04 2.12 1.92 2dymE1 VAL 15 HG13 -0.08 -0.01 -0.23 -0.04 0.97 0.61 2dymE1 VAL 15 HG23 -0.15 0.01 -0.32 -0.04 0.95 0.45 2dymE1 LEU 16 H 0.13 0.79 0.36 -0.55 8.37 9.10 2dymE1 LEU 16 HA 0.01 0.27 1.02 -0.75 4.35 4.90 2dymE1 LEU 16 HB2 0.15 -0.04 -0.01 -0.04 1.64 1.70 2dymE1 LEU 16 HB3 0.21 -0.07 0.20 -0.04 1.64 1.94 2dymE1 LEU 16 HG 0.03 -0.02 -0.22 -0.04 1.64 1.39 2dymE1 LEU 16 HD13 -0.03 0.08 -0.10 -0.04 0.93 0.84 2dymE1 LEU 16 HD23 0.08 -0.02 -0.07 -0.04 0.89 0.84 2dymE1 VAL 17 H -0.03 0.76 0.23 -0.55 8.24 8.66 2dymE1 VAL 17 HA -0.01 0.34 1.09 -0.75 4.13 4.80 2dymE1 VAL 17 HB -0.05 -0.05 0.04 -0.04 2.12 2.02 2dymE1 VAL 17 HG13 0.01 -0.01 -0.25 -0.04 0.97 0.68 2dymE1 VAL 17 HG23 -0.05 0.01 -0.28 -0.04 0.95 0.59 2dymE1 SER 18 H -0.13 0.57 0.40 -0.55 8.46 8.75 2dymE1 SER 18 HA -0.17 0.23 0.97 -0.75 4.49 4.76 2dymE1 ILE 19 H -0.16 1.09 0.42 -0.55 8.25 9.05 2dymE1 ILE 19 HA -0.28 0.04 0.95 -0.75 4.18 4.13 2dymE1 ILE 19 HB -0.08 -0.04 0.21 -0.04 1.89 1.94 2dymE1 ILE 19 HG12 -0.13 0.02 -0.19 -0.04 1.49 1.15 2dymE1 ILE 19 HG13 -0.10 0.15 -0.08 -0.04 1.21 1.13 2dymE1 ILE 19 HG23 -0.29 0.03 -0.05 -0.04 0.93 0.58 2dymE1 ILE 19 HD13 -0.25 -0.01 -0.23 -0.04 0.88 0.35 2dymE1 ASP 20 H -0.03 0.36 0.27 -0.55 8.40 8.45 2dymE1 ASP 20 HA 0.28 0.07 0.45 -0.75 4.63 4.68 2dymE1 ASP 20 HB2 0.30 0.33 0.35 -0.04 2.71 3.65 2dymE1 ASP 20 HB3 0.61 -0.09 0.14 -0.04 2.70 3.32 2dymE1 PRO 21 HA 0.11 0.08 0.42 -0.51 4.44 4.53 2dymE1 PRO 21 HB2 0.06 0.04 -0.01 -0.04 2.28 2.33 2dymE1 PRO 21 HB3 0.07 0.04 0.14 -0.04 2.02 2.22 2dymE1 PRO 21 HG2 0.07 -0.03 0.09 -0.04 2.03 2.12 2dymE1 PRO 21 HG3 0.06 0.05 0.09 -0.04 2.03 2.19 2dymE1 PRO 21 HD2 0.14 0.06 0.26 -0.04 3.68 4.10 2dymE1 PRO 21 HD3 0.12 0.17 0.24 -0.04 3.65 4.14 2dymE1 SER 22 H 0.12 0.05 -0.31 -0.55 8.46 7.78 2dymE1 SER 22 HA -0.00 0.05 0.31 -0.75 4.49 4.09 2dymE1 PHE 23 H 0.41 0.44 -0.52 -0.55 8.34 8.12 2dymE1 PHE 23 HA 0.06 0.07 0.60 -0.75 4.62 4.59 2dymE1 PHE 23 HB2 0.09 0.11 -0.00 -0.04 3.15 3.30 2dymE1 PHE 23 HB3 0.12 -0.01 0.01 -0.04 3.06 3.14 2dymE1 PHE 23 HD2 0.16 0.13 0.01 -0.04 7.28 7.54 2dymE1 PHE 23 HE2 0.24 -0.05 -0.07 -0.04 7.38 7.46 2dymE1 PHE 23 HZ 0.29 0.06 -0.38 -0.04 7.32 7.24 2dymE1 LEU 24 H 0.17 0.28 -0.04 -0.55 8.37 8.23 2dymE1 LEU 24 HA 0.09 0.17 0.75 -0.75 4.35 4.61 2dymE1 LEU 24 HB2 0.07 -0.01 0.05 -0.04 1.64 1.71 2dymE1 LEU 24 HB3 0.06 -0.10 0.14 -0.04 1.64 1.69 2dymE1 LEU 24 HG 0.13 0.01 -0.06 -0.04 1.64 1.68 2dymE1 LEU 24 HD13 0.04 -0.01 -0.11 -0.04 0.93 0.81 2dymE1 LEU 24 HD23 0.10 0.04 -0.18 -0.04 0.89 0.80 2dymE1 MET 25 H 0.04 0.17 0.06 -0.55 8.47 8.19 2dymE1 MET 25 HA 0.02 0.28 0.70 -0.75 4.52 4.76 2dymE1 GLU 31 HA -0.01 -0.16 0.31 -0.75 4.29 3.68 2dymE1 ILE 32 H -0.00 0.18 0.23 -0.55 8.25 8.11 2dymE1 ILE 32 HA -0.00 0.20 0.69 -0.75 4.18 4.31 2dymE1 ILE 32 HB 0.01 -0.03 -0.23 -0.04 1.89 1.60 2dymE1 ILE 32 HG12 0.00 0.02 -0.18 -0.04 1.49 1.29 2dymE1 ILE 32 HG13 0.01 -0.03 -0.10 -0.04 1.21 1.05 2dymE1 ILE 32 HG23 0.02 -0.00 0.05 -0.04 0.93 0.96 2dymE1 ILE 32 HD13 0.01 0.01 0.01 -0.04 0.88 0.87 2dymE1 ALA 33 H -0.01 -0.09 0.00 -0.55 8.40 7.75 2dymE1 ALA 33 HA -0.03 0.24 0.87 -0.75 4.34 4.68 2dymE1 ALA 33 HB3 0.00 0.03 0.10 -0.04 1.41 1.50 2dymE1 VAL 34 H -0.03 0.01 -0.22 -0.55 8.24 7.45 2dymE1 VAL 34 HA -0.07 0.26 1.01 -0.75 4.13 4.58 2dymE1 VAL 34 HB -0.03 -0.03 0.16 -0.04 2.12 2.19 2dymE1 VAL 34 HG13 -0.03 0.00 -0.16 -0.04 0.97 0.75 2dymE1 VAL 34 HG23 -0.03 -0.03 -0.15 -0.04 0.95 0.70 2dymE1 LEU 35 H -0.06 0.69 0.17 -0.55 8.37 8.62 2dymE1 LEU 35 HA -0.04 0.18 0.76 -0.75 4.35 4.50 2dymE1 LEU 35 HB2 -0.05 -0.06 0.01 -0.04 1.64 1.50 2dymE1 LEU 35 HB3 -0.04 0.02 -0.02 -0.04 1.64 1.56 2dymE1 LEU 35 HG -0.06 -0.05 -0.23 -0.04 1.64 1.27 2dymE1 LEU 35 HD13 -0.06 0.02 -0.08 -0.04 0.93 0.77 2dymE1 LEU 35 HD23 -0.02 0.04 -0.13 -0.04 0.89 0.73 2dymE1 ARG 36 H -0.04 0.25 0.19 -0.55 8.46 8.31 2dymE1 ARG 36 HA -0.04 0.27 1.04 -0.75 4.34 4.86 2dymE1 ARG 36 HB2 -0.05 -0.02 0.16 -0.04 1.90 1.96 2dymE1 ARG 36 HB3 -0.06 -0.00 0.01 -0.04 1.80 1.71 2dymE1 ARG 36 HG2 -0.07 -0.03 -0.07 -0.04 1.67 1.46 2dymE1 ARG 36 HG3 -0.04 0.07 -0.41 -0.04 1.67 1.24 2dymE1 ARG 36 HD2 -0.05 -0.02 -0.06 -0.04 3.22 3.04 2dymE1 ARG 36 HD3 -0.04 0.09 -0.03 -0.04 3.22 3.19 2dymE1 ILE 37 H -0.05 0.67 0.35 -0.55 8.25 8.67 2dymE1 ILE 37 HA -0.05 0.17 0.88 -0.75 4.18 4.43 2dymE1 ILE 37 HB -0.05 0.03 0.05 -0.04 1.89 1.88 2dymE1 ILE 37 HG12 -0.07 0.01 -0.13 -0.04 1.49 1.27 2dymE1 ILE 37 HG13 -0.12 -0.03 -0.30 -0.04 1.21 0.72 2dymE1 ILE 37 HG23 -0.03 -0.02 -0.30 -0.04 0.93 0.54 2dymE1 ILE 37 HD13 -0.07 0.00 -0.17 -0.04 0.88 0.60 2dymE1 ARG 38 H -0.08 0.19 0.18 -0.55 8.46 8.20 2dymE1 ARG 38 HA -0.14 0.36 0.96 -0.75 4.34 4.76 2dymE1 ARG 38 HB2 -0.09 -0.02 0.14 -0.04 1.90 1.89 2dymE1 ARG 38 HB3 -0.13 0.02 -0.05 -0.04 1.80 1.60 2dymE1 ARG 38 HG2 -0.08 -0.07 -0.15 -0.04 1.67 1.33 2dymE1 ARG 38 HG3 -0.08 -0.01 -0.04 -0.04 1.67 1.51 2dymE1 ARG 38 HD2 -0.11 0.13 -0.17 -0.04 3.22 3.02 2dymE1 ARG 38 HD3 -0.08 -0.03 -0.12 -0.04 3.22 2.94 2dymE1 VAL 39 H -0.25 0.59 0.24 -0.55 8.24 8.28 2dymE1 VAL 39 HA -0.65 0.25 0.94 -0.75 4.13 3.91 2dymE1 VAL 39 HB -0.33 -0.05 -0.03 -0.04 2.12 1.67 2dymE1 VAL 39 HG13 -0.67 0.05 -0.17 -0.04 0.97 0.14 2dymE1 VAL 39 HG23 -0.39 0.00 -0.33 -0.04 0.95 0.20 2dymE1 PRO 40 HA -0.30 0.21 0.61 -0.51 4.44 4.45 2dymE1 PRO 40 HB2 -0.48 -0.07 -0.12 -0.04 2.28 1.57 2dymE1 PRO 40 HB3 -0.40 0.18 0.11 -0.04 2.02 1.88 2dymE1 PRO 40 HG2 -0.36 -0.08 -0.05 -0.04 2.03 1.50 2dymE1 PRO 40 HG3 -0.25 0.13 0.03 -0.04 2.03 1.90 2dymE1 PRO 40 HD2 -0.74 0.09 0.20 -0.04 3.68 3.18 2dymE1 PRO 40 HD3 -0.27 0.17 0.04 -0.04 3.65 3.54 2dymE1 ARG 41 H -0.26 0.51 -0.06 -0.55 8.46 8.10 2dymE1 ARG 41 HA -0.19 0.03 0.40 -0.75 4.34 3.83 2dymE1 ARG 41 HB2 -0.16 0.18 0.08 -0.04 1.90 1.96 2dymE1 ARG 41 HB3 -0.09 -0.10 -0.03 -0.04 1.80 1.54 2dymE1 ARG 41 HG2 -0.15 -0.06 -0.07 -0.04 1.67 1.35 2dymE1 ARG 41 HG3 -0.21 0.01 -0.22 -0.04 1.67 1.22 2dymE1 ARG 41 HD2 -0.11 0.03 -0.02 -0.04 3.22 3.07 2dymE1 ARG 41 HD3 -0.06 -0.02 -0.05 -0.04 3.22 3.05 2dymE1 GLU 42 H -0.36 0.30 -0.09 -0.55 8.60 7.90 2dymE1 GLU 42 HA -0.18 0.00 0.69 -0.75 4.29 4.05 2dymE1 GLU 42 HB2 -0.56 0.14 0.20 -0.04 2.09 1.83 2dymE1 GLU 42 HB3 -0.32 -0.05 0.17 -0.04 1.99 1.75 2dymE1 GLU 42 HG2 -0.08 0.03 -0.03 -0.04 2.34 2.22 2dymE1 GLU 42 HG3 0.04 0.07 -0.12 -0.04 2.34 2.29 2dymE1 THR 43 H -0.40 0.39 0.03 -0.55 8.28 7.75 2dymE1 THR 43 HA -1.49 0.09 0.41 -0.75 4.39 2.65 2dymE1 THR 43 HB -0.57 0.19 -0.30 -0.04 4.32 3.61 2dymE1 THR 43 HG23 -0.26 0.06 -0.34 -0.04 1.22 0.64 2dymE1 TYR 44 H 0.07 0.20 0.12 -0.55 8.29 8.13 2dymE1 TYR 44 HA 0.27 0.32 0.93 -0.75 4.56 5.33 2dymE1 TYR 44 HB2 0.37 -0.08 0.04 -0.04 3.06 3.35 2dymE1 TYR 44 HB3 0.47 -0.06 0.01 -0.04 2.98 3.36 2dymE1 TYR 44 HD2 0.59 0.12 -0.11 -0.04 7.15 7.71 2dymE1 TYR 44 HE2 0.54 0.05 -0.31 -0.04 6.85 7.09 2dymE1 LEU 45 H 0.29 0.34 0.17 -0.55 8.37 8.63 2dymE1 LEU 45 HA -0.04 0.14 0.33 -0.75 4.35 4.03 2dymE1 LEU 45 HB2 0.10 -0.04 0.13 -0.04 1.64 1.79 2dymE1 LEU 45 HB3 -0.34 0.02 -0.08 -0.04 1.64 1.20 2dymE1 LEU 45 HG -0.04 0.04 0.05 -0.04 1.64 1.64 2dymE1 LEU 45 HD13 -0.42 0.01 -0.08 -0.04 0.93 0.40 2dymE1 LEU 45 HD23 -0.33 0.01 -0.08 -0.04 0.89 0.46 2dymE1 VAL 46 H 0.15 0.13 -0.19 -0.55 8.24 7.78 2dymE1 VAL 46 HA -0.03 0.11 0.32 -0.75 4.13 3.77 2dymE1 VAL 46 HB -0.41 0.04 0.05 -0.04 2.12 1.76 2dymE1 VAL 46 HG13 -1.04 0.02 0.01 -0.04 0.97 -0.08 2dymE1 VAL 46 HG23 -0.29 -0.01 -0.17 -0.04 0.95 0.43 2dymE1 ASN 47 H 0.21 0.44 -0.59 -0.55 8.53 8.05 2dymE1 ASN 47 HA 0.06 0.02 0.48 -0.75 4.76 4.57 2dymE1 ASN 47 HB2 0.21 0.26 0.11 -0.04 2.88 3.42 2dymE1 ASN 47 HB3 -0.12 0.06 0.09 -0.04 2.79 2.78 2dymE1 ASN 47 HD21 0.04 -0.02 -0.04 -0.04 7.03 6.97 2dymE1 ASN 47 HD22 -0.20 0.10 0.01 -0.04 7.74 7.61 2dymE1 TYR 48 H 0.17 0.57 -0.35 -0.55 8.29 8.13 2dymE1 TYR 48 HA -0.09 0.20 0.96 -0.75 4.56 4.88 2dymE1 TYR 48 HB2 -0.10 0.11 0.07 -0.04 3.06 3.09 2dymE1 TYR 48 HB3 -0.11 -0.05 0.13 -0.04 2.98 2.90 2dymE1 TYR 48 HD2 -0.10 -0.04 -0.10 -0.04 7.15 6.86 2dymE1 TYR 48 HE2 -0.18 -0.00 -0.00 -0.04 6.85 6.63 2dymE1 MET 49 H -0.08 0.36 -0.27 -0.55 8.47 7.93 2dymE1 MET 49 HA -0.41 0.05 0.41 -0.75 4.52 3.81 2dymE1 MET 49 HB2 -0.14 0.10 0.10 -0.04 2.15 2.17 2dymE1 MET 49 HB3 -0.60 -0.02 -0.01 -0.04 2.03 1.36 2dymE1 MET 49 HG2 -0.11 -0.06 0.10 -0.04 2.63 2.52 2dymE1 MET 49 HG3 -0.18 0.01 0.06 -0.04 2.56 2.41 2dymE1 MET 49 HE3 -0.15 0.00 -0.13 -0.04 2.10 1.78 2dymE1 PRO 50 HA 0.16 0.05 0.36 -0.51 4.44 4.50 2dymE1 PRO 50 HB2 -0.06 0.06 -0.01 -0.04 2.28 2.23 2dymE1 PRO 50 HB3 0.03 0.03 0.03 -0.04 2.02 2.07 2dymE1 PRO 50 HG2 -0.02 0.07 0.04 -0.04 2.03 2.08 2dymE1 PRO 50 HG3 0.06 0.02 0.04 -0.04 2.03 2.10 2dymE1 PRO 50 HD2 -0.11 0.20 -0.19 -0.04 3.68 3.54 2dymE1 PRO 50 HD3 -0.06 0.12 0.08 -0.04 3.65 3.75 2dymE1 LEU 51 H -0.10 0.13 -0.46 -0.55 8.37 7.39 2dymE1 LEU 51 HA -0.02 0.05 0.37 -0.75 4.35 3.98 2dymE1 LEU 51 HB2 -0.07 -0.03 0.07 -0.04 1.64 1.57 2dymE1 LEU 51 HB3 -0.01 0.19 0.09 -0.04 1.64 1.86 2dymE1 LEU 51 HG -0.00 0.04 -0.37 -0.04 1.64 1.26 2dymE1 LEU 51 HD13 -0.01 -0.01 0.02 -0.04 0.93 0.90 2dymE1 LEU 51 HD23 0.12 -0.01 -0.01 -0.04 0.89 0.95 2dymE1 ILE 52 H -0.13 0.35 -0.20 -0.55 8.25 7.72 2dymE1 ILE 52 HA -0.08 0.04 0.36 -0.75 4.18 3.75 2dymE1 ILE 52 HB -0.49 0.00 0.19 -0.04 1.89 1.55 2dymE1 ILE 52 HG12 -0.09 -0.03 -0.08 -0.04 1.49 1.25 2dymE1 ILE 52 HG13 -0.10 0.30 0.02 -0.04 1.21 1.40 2dymE1 ILE 52 HG23 -0.31 -0.01 -0.20 -0.04 0.93 0.37 2dymE1 ILE 52 HD13 -0.07 -0.04 -0.14 -0.04 0.88 0.59 2dymE1 TRP 53 H -0.22 0.70 0.07 -0.55 7.97 7.97 2dymE1 TRP 53 HA -0.07 0.03 0.34 -0.75 4.62 4.16 2dymE1 TRP 53 HB2 -0.05 0.06 0.05 -0.04 3.23 3.24 2dymE1 TRP 53 HB3 -0.05 -0.05 -0.01 -0.04 3.23 3.08 2dymE1 TRP 53 HD1 -0.08 -0.05 -0.17 -0.04 7.22 6.88 2dymE1 TRP 53 HE1 -0.16 -0.02 -0.08 -0.04 10.20 9.90 2dymE1 TRP 53 HE3 -0.09 0.09 -0.01 -0.04 7.59 7.54 2dymE1 TRP 53 HZ2 -0.55 -0.02 -0.08 -0.04 7.44 6.75 2dymE1 TRP 53 HZ3 -0.13 0.02 -0.04 -0.04 7.13 6.94 2dymE1 TRP 53 HH2 -0.17 -0.02 -0.06 -0.04 7.19 6.90 2dymE1 ASN 54 H 0.12 0.31 -0.79 -0.55 8.53 7.63 2dymE1 ASN 54 HA 0.08 -0.08 0.31 -0.75 4.76 4.31 2dymE1 ASN 54 HB2 0.05 0.31 0.20 -0.04 2.88 3.39 2dymE1 ASN 54 HB3 0.02 0.15 0.13 -0.04 2.79 3.05 2dymE1 ASN 54 HD21 0.01 -0.10 0.06 -0.04 7.03 6.97 2dymE1 ASN 54 HD22 0.02 0.05 0.23 -0.04 7.74 7.99 2dymE1 LYS 55 H 0.11 0.48 -1.15 -0.55 8.42 7.31 2dymE1 LYS 55 HA 0.03 0.06 0.50 -0.75 4.32 4.16 2dymE1 LYS 55 HB2 0.02 0.10 0.01 -0.04 1.87 1.95 2dymE1 LYS 55 HB3 0.01 -0.09 0.06 -0.04 1.79 1.73 2dymE1 LYS 55 HG2 0.01 0.03 -0.07 -0.04 1.46 1.39 2dymE1 LYS 55 HG3 0.01 0.13 -0.62 -0.04 1.46 0.94 2dymE1 LYS 55 HD2 -0.02 -0.05 -0.05 -0.04 1.69 1.53 2dymE1 LYS 55 HD3 -0.01 -0.06 -0.01 -0.04 1.68 1.55 2dymE1 LYS 55 HE2 -0.01 -0.03 -0.02 -0.04 2.99 2.89 2dymE1 LYS 55 HE3 -0.01 0.12 -0.08 -0.04 2.99 2.97 2dymE1 GLU 69 HA -0.19 -0.05 0.16 -0.75 4.29 3.47 2dymE1 LYS 70 H -0.24 0.12 0.13 -0.55 8.42 7.88 2dymE1 LYS 70 HA -0.30 0.21 0.88 -0.75 4.32 4.35 2dymE1 LYS 70 HB2 -0.20 -0.00 0.03 -0.04 1.87 1.66 2dymE1 LYS 70 HB3 -0.60 -0.02 -0.04 -0.04 1.79 1.09 2dymE1 LYS 70 HG2 -0.36 -0.02 -0.04 -0.04 1.46 1.00 2dymE1 LYS 70 HG3 -0.37 0.00 0.06 -0.04 1.46 1.12 2dymE1 LYS 70 HD2 -0.13 0.07 -0.14 -0.04 1.69 1.45 2dymE1 LYS 70 HD3 -0.14 0.01 -0.11 -0.04 1.68 1.40 2dymE1 LYS 70 HE2 -0.18 0.03 -0.10 -0.04 2.99 2.70 2dymE1 LYS 70 HE3 -0.12 -0.11 -0.18 -0.04 2.99 2.54 2dymE1 TYR 71 H -0.17 0.61 0.33 -0.55 8.29 8.51 2dymE1 TYR 71 HA -0.04 0.14 0.91 -0.75 4.56 4.82 2dymE1 TYR 71 HB2 0.23 0.06 -0.22 -0.04 3.06 3.09 2dymE1 TYR 71 HB3 0.21 -0.03 -0.05 -0.04 2.98 3.06 2dymE1 TYR 71 HD2 0.06 0.00 -0.31 -0.04 7.15 6.86 2dymE1 TYR 71 HE2 0.02 0.13 -0.08 -0.04 6.85 6.88 2dymE1 PHE 72 H 0.47 0.17 0.23 -0.55 8.34 8.65 2dymE1 PHE 72 HA 0.05 0.38 1.18 -0.75 4.62 5.47 2dymE1 PHE 72 HB2 0.14 -0.04 0.04 -0.04 3.15 3.25 2dymE1 PHE 72 HB3 0.09 0.05 0.11 -0.04 3.06 3.28 2dymE1 PHE 72 HD2 0.33 0.04 -0.05 -0.04 7.28 7.56 2dymE1 PHE 72 HE2 -0.05 0.02 -0.04 -0.04 7.38 7.27 2dymE1 PHE 72 HZ -0.07 -0.00 0.02 -0.04 7.32 7.23 2dymE1 TRP 73 H -0.20 0.63 0.40 -0.55 7.97 8.26 2dymE1 TRP 73 HA 0.10 0.04 0.57 -0.75 4.62 4.58 2dymE1 TRP 73 HB2 0.20 0.03 0.17 -0.04 3.23 3.58 2dymE1 TRP 73 HB3 0.18 0.09 -0.23 -0.04 3.23 3.23 2dymE1 TRP 73 HD1 0.14 0.28 -0.29 -0.04 7.22 7.31 2dymE1 TRP 73 HE1 0.07 -0.00 -0.20 -0.04 10.20 10.02 2dymE1 TRP 73 HE3 0.12 -0.09 -0.56 -0.04 7.59 7.02 2dymE1 TRP 73 HZ2 0.04 -0.01 -0.12 -0.04 7.44 7.31 2dymE1 TRP 73 HZ3 0.05 0.05 -0.21 -0.04 7.13 6.98 2dymE1 TRP 73 HH2 0.02 -0.01 -0.14 -0.04 7.19 7.01 2dymE1 PHE 74 H 0.59 0.21 0.25 -0.55 8.34 8.84 2dymE1 PHE 74 HA 0.10 0.39 1.16 -0.75 4.62 5.52 2dymE1 PHE 74 HB2 0.23 -0.00 0.07 -0.04 3.15 3.40 2dymE1 PHE 74 HB3 0.15 0.04 0.03 -0.04 3.06 3.23 2dymE1 PHE 74 HD2 0.11 0.03 -0.17 -0.04 7.28 7.21 2dymE1 PHE 74 HE2 -0.09 -0.02 -0.19 -0.04 7.38 7.04 2dymE1 PHE 74 HZ -0.18 0.03 -0.18 -0.04 7.32 6.95 2dymE1 GLU 75 H 0.33 0.52 0.38 -0.55 8.60 9.29 2dymE1 GLU 75 HA 0.31 0.31 0.74 -0.75 4.29 4.90 2dymE1 GLU 75 HB2 0.16 -0.06 -0.12 -0.04 2.09 2.02 2dymE1 GLU 75 HB3 0.20 -0.06 -0.42 -0.04 1.99 1.66 2dymE1 GLU 75 HG2 0.62 0.08 -0.42 -0.04 2.34 2.58 2dymE1 GLU 75 HG3 0.25 -0.03 -0.51 -0.04 2.34 2.01 2dymE1 HIS 76 H 0.22 0.85 0.16 -0.55 8.41 9.11 2dymE1 HIS 76 HA 0.08 0.18 0.97 -0.75 4.63 5.10 2dymE1 HIS 76 HB2 0.05 -0.03 -0.03 -0.04 3.26 3.21 2dymE1 HIS 76 HB3 0.04 0.06 0.13 -0.04 3.20 3.38 2dymE1 HIS 76 HD2 -0.01 0.13 0.10 -0.04 6.97 7.15 2dymE1 HIS 76 HE1 -0.07 0.07 0.06 -0.04 7.75 7.77 2dymE1 ASN 77 H -0.24 0.21 0.10 -0.55 8.53 8.05 2dymE1 ASN 77 HA -0.09 0.02 0.33 -0.75 4.76 4.26 2dymE1 ASN 77 HB2 -0.02 0.17 -0.05 -0.04 2.88 2.94 2dymE1 ASN 77 HB3 -0.04 0.00 0.20 -0.04 2.79 2.92 2dymE1 ASN 77 HD21 -0.07 0.03 0.03 -0.04 7.03 6.99 2dymE1 ASN 77 HD22 0.03 0.03 0.00 -0.04 7.74 7.76 2dymE1 LYS 78 H 0.02 0.03 -0.31 -0.55 8.42 7.60 2dymE1 LYS 78 HA 0.04 -0.04 0.16 -0.75 4.32 3.72 2dymE1 LYS 78 HB2 0.02 0.27 0.05 -0.04 1.87 2.17 2dymE1 LYS 78 HB3 0.03 -0.04 0.13 -0.04 1.79 1.87 2dymE1 LYS 78 HG2 -0.00 -0.08 -0.44 -0.04 1.46 0.90 2dymE1 LYS 78 HG3 0.00 0.01 -0.11 -0.04 1.46 1.33 2dymE1 LYS 78 HD2 -0.02 0.01 -0.03 -0.04 1.69 1.62 2dymE1 LYS 78 HD3 -0.04 -0.05 -0.05 -0.04 1.68 1.50 2dymE1 LYS 78 HE2 -0.05 -0.00 -0.04 -0.04 2.99 2.86 2dymE1 LYS 78 HE3 -0.01 -0.01 -0.06 -0.04 2.99 2.87 2dymE1 THR 79 H 0.10 0.45 -0.64 -0.55 8.28 7.64 2dymE1 THR 79 HA 0.09 0.22 1.02 -0.75 4.39 4.96 2dymE1 THR 79 HB 0.10 0.03 0.10 -0.04 4.32 4.52 2dymE1 THR 79 HG23 0.04 0.03 -0.05 -0.04 1.22 1.20 2dymE1 PRO 80 HA 0.36 0.16 0.50 -0.51 4.44 4.95 2dymE1 PRO 80 HB2 -0.04 -0.01 0.01 -0.04 2.28 2.20 2dymE1 PRO 80 HB3 -0.17 0.01 0.01 -0.04 2.02 1.84 2dymE1 PRO 80 HG2 -0.11 -0.03 0.06 -0.04 2.03 1.91 2dymE1 PRO 80 HG3 0.09 0.03 0.01 -0.04 2.03 2.12 2dymE1 PRO 80 HD2 0.03 0.10 0.19 -0.04 3.68 3.97 2dymE1 PRO 80 HD3 0.10 0.28 0.21 -0.04 3.65 4.20 2dymE1 ILE 81 H 0.36 0.83 0.35 -0.55 8.25 9.25 2dymE1 ILE 81 HA 0.12 0.27 0.88 -0.75 4.18 4.69 2dymE1 ILE 81 HB 0.31 -0.14 -0.13 -0.04 1.89 1.90 2dymE1 ILE 81 HG12 0.25 -0.10 -0.24 -0.04 1.49 1.36 2dymE1 ILE 81 HG13 0.18 -0.04 -0.25 -0.04 1.21 1.06 2dymE1 ILE 81 HG23 0.11 0.00 -0.27 -0.04 0.93 0.73 2dymE1 ILE 81 HD13 0.10 0.06 -0.15 -0.04 0.88 0.85 2dymE1 PRO 82 HA -0.01 0.00 0.53 -0.51 4.44 4.46 2dymE1 PRO 82 HB2 0.34 -0.00 0.03 -0.04 2.28 2.61 2dymE1 PRO 82 HB3 0.04 0.03 0.05 -0.04 2.02 2.10 2dymE1 PRO 82 HG2 0.02 0.09 0.01 -0.04 2.03 2.12 2dymE1 PRO 82 HG3 0.03 0.09 -0.06 -0.04 2.03 2.05 2dymE1 PRO 82 HD2 0.03 0.08 0.14 -0.04 3.68 3.89 2dymE1 PRO 82 HD3 0.05 0.31 0.22 -0.04 3.65 4.18 2dymE1 TRP 83 H -0.01 0.22 0.22 -0.55 7.97 7.86 2dymE1 TRP 83 HA 0.14 0.16 0.50 -0.75 4.62 4.66 2dymE1 TRP 83 HB2 0.15 -0.21 0.13 -0.04 3.23 3.25 2dymE1 TRP 83 HB3 0.28 0.07 0.10 -0.04 3.23 3.64 2dymE1 TRP 83 HD1 0.18 0.07 0.08 -0.04 7.22 7.50 2dymE1 TRP 83 HE1 0.04 0.31 -0.42 -0.04 10.20 10.08 2dymE1 TRP 83 HE3 -0.22 -0.08 -0.43 -0.04 7.59 6.83 2dymE1 TRP 83 HZ2 -0.11 0.13 -0.01 -0.04 7.44 7.40 2dymE1 TRP 83 HZ3 -0.61 -0.01 -0.09 -0.04 7.13 6.37 2dymE1 TRP 83 HH2 -0.21 -0.02 -0.14 -0.04 7.19 6.78 2dymE1 ASN 84 H -0.90 0.06 -0.26 -0.55 8.53 6.89 2dymE1 ASN 84 HA -0.76 0.05 0.36 -0.75 4.76 3.65 2dymE1 ASN 84 HB2 -1.22 0.04 0.14 -0.04 2.88 1.80 2dymE1 ASN 84 HB3 -2.19 -0.04 0.05 -0.04 2.79 0.58 2dymE1 ASN 84 HD21 -0.44 0.05 -0.07 -0.04 7.03 6.54 2dymE1 ASN 84 HD22 -0.64 0.02 -0.04 -0.04 7.74 7.04 2dymE1 TYR 85 H 0.26 0.36 -0.77 -0.55 8.29 7.58 2dymE1 TYR 85 HA 0.16 0.16 0.76 -0.75 4.56 4.88 2dymE1 TYR 85 HB2 0.00 0.06 -0.08 -0.04 3.06 3.00 2dymE1 TYR 85 HB3 -0.12 0.00 -0.06 -0.04 2.98 2.75 2dymE1 TYR 85 HD2 -0.14 0.00 -0.13 -0.04 7.15 6.83 2dymE1 TYR 85 HE2 0.04 -0.01 -0.09 -0.04 6.85 6.75 2dymE1 PRO 86 HA 0.34 0.31 0.57 -0.51 4.44 5.15 2dymE1 PRO 86 HB2 0.07 -0.17 0.12 -0.04 2.28 2.26 2dymE1 PRO 86 HB3 0.33 0.06 0.21 -0.04 2.02 2.58 2dymE1 PRO 86 HG2 0.15 0.02 0.07 -0.04 2.03 2.24 2dymE1 PRO 86 HG3 0.21 0.03 0.02 -0.04 2.03 2.25 2dymE1 PRO 86 HD2 -0.32 0.09 0.16 -0.04 3.68 3.57 2dymE1 PRO 86 HD3 0.14 0.19 0.14 -0.04 3.65 4.08 2dymE1 VAL 87 H 0.05 0.56 0.40 -0.55 8.24 8.70 2dymE1 VAL 87 HA 0.03 0.02 0.42 -0.75 4.13 3.85 2dymE1 VAL 87 HB -0.14 0.21 0.16 -0.04 2.12 2.30 2dymE1 VAL 87 HG13 -0.14 -0.01 -0.22 -0.04 0.97 0.55 2dymE1 VAL 87 HG23 -0.07 0.01 -0.16 -0.04 0.95 0.69 2dymE1 GLY 88 H -0.04 0.61 0.04 -0.55 8.43 8.49 2dymE1 GLY 88 HA2 -0.01 0.07 0.35 -0.51 4.01 3.91 2dymE1 GLY 88 HA3 -0.02 0.04 0.24 -0.51 4.01 3.76 2dymE1 VAL 89 H -0.01 0.20 -0.37 -0.55 8.24 7.51 2dymE1 VAL 89 HA -0.05 0.03 0.40 -0.75 4.13 3.75 2dymE1 VAL 89 HB -0.20 0.14 0.03 -0.04 2.12 2.05 2dymE1 VAL 89 HG13 -0.37 0.01 -0.15 -0.04 0.97 0.42 2dymE1 VAL 89 HG23 -0.40 -0.03 0.01 -0.04 0.95 0.49 2dymE1 LEU 90 H -0.01 0.51 -0.17 -0.55 8.37 8.16 2dymE1 LEU 90 HA -0.12 0.06 0.34 -0.75 4.35 3.87 2dymE1 LEU 90 HB2 0.01 0.09 0.09 -0.04 1.64 1.79 2dymE1 LEU 90 HB3 -0.03 -0.05 -0.06 -0.04 1.64 1.46 2dymE1 LEU 90 HG 0.09 0.03 -0.14 -0.04 1.64 1.59 2dymE1 LEU 90 HD13 0.12 -0.02 -0.05 -0.04 0.93 0.94 2dymE1 LEU 90 HD23 -0.02 0.03 -0.04 -0.04 0.89 0.81 2dymE1 PHE 91 H 0.09 0.49 -0.30 -0.55 8.34 8.07 2dymE1 PHE 91 HA -0.14 0.00 0.31 -0.75 4.62 4.04 2dymE1 PHE 91 HB2 -0.10 0.03 0.02 -0.04 3.15 3.05 2dymE1 PHE 91 HB3 -0.09 0.11 0.09 -0.04 3.06 3.13 2dymE1 PHE 91 HD2 -0.10 -0.00 -0.14 -0.04 7.28 7.00 2dymE1 PHE 91 HE2 -0.10 0.06 -0.20 -0.04 7.38 7.10 2dymE1 PHE 91 HZ -0.07 -0.03 -0.07 -0.04 7.32 7.12 2dymE1 ASP 92 H 0.03 0.50 -0.14 -0.55 8.40 8.25 2dymE1 ASP 92 HA -0.16 -0.01 0.29 -0.75 4.63 4.00 2dymE1 ASP 92 HB2 -0.04 0.11 0.07 -0.04 2.71 2.81 2dymE1 ASP 92 HB3 -0.05 0.00 -0.10 -0.04 2.70 2.51 2dymE1 CYS 93 H -0.15 0.37 -0.32 -0.55 8.50 7.85 2dymE1 CYS 93 HA -0.13 0.20 0.68 -0.75 4.58 4.58 2dymE1 CYS 93 HB2 -0.12 -0.07 0.12 -0.04 2.97 2.86 2dymE1 CYS 93 HB3 -0.11 -0.01 -0.06 -0.04 2.97 2.75 2dymE1 LEU 94 H -0.27 0.38 -0.17 -0.55 8.37 7.76 2dymE1 LEU 94 HA -0.29 -0.08 0.70 -0.75 4.35 3.93 2dymE1 LEU 94 HB2 -0.32 0.37 0.16 -0.04 1.64 1.81 2dymE1 LEU 94 HB3 -0.57 -0.08 -0.04 -0.04 1.64 0.90 2dymE1 LEU 94 HG -1.21 -0.07 0.03 -0.04 1.64 0.36 2dymE1 LEU 94 HD13 -0.20 -0.01 -0.03 -0.04 0.93 0.64 2dymE1 LEU 94 HD23 -0.20 -0.02 -0.10 -0.04 0.89 0.53 2dymE1 ALA 95 H -0.48 0.50 -0.17 -0.55 8.40 7.70 2dymE1 ALA 95 HA -0.25 0.18 0.71 -0.75 4.34 4.22 2dymE1 ALA 95 HB3 -0.76 -0.00 0.00 -0.04 1.41 0.61 2dymE1 SER 104 HA 0.07 -0.01 0.26 -0.75 4.49 4.05 2dymE1 PHE 105 H 0.20 0.16 0.13 -0.55 8.34 8.28 2dymE1 PHE 105 HA 0.01 0.15 0.47 -0.75 4.62 4.49 2dymE1 PHE 105 HB2 0.00 0.04 0.13 -0.04 3.15 3.28 2dymE1 PHE 105 HB3 -0.00 -0.04 0.08 -0.04 3.06 3.06 2dymE1 PHE 105 HD2 -0.00 0.00 0.03 -0.04 7.28 7.27 2dymE1 PHE 105 HE2 -0.01 -0.00 0.03 -0.04 7.38 7.36 2dymE1 PHE 105 HZ -0.01 -0.02 0.03 -0.04 7.32 7.28 2dymE1 GLU 106 H 0.04 -0.01 -0.22 -0.55 8.60 7.86 2dymE1 GLU 106 HA -0.20 0.16 0.59 -0.75 4.29 4.09 2dymE1 ASN 107 H -0.00 -0.01 -0.29 -0.55 8.53 7.68 2dymE1 ASN 107 HA -0.03 0.14 0.70 -0.75 4.76 4.82 2dymE1 GLN 108 H -0.01 0.12 -0.27 -0.55 8.47 7.76 2dymE1 GLN 108 HA 0.03 -0.02 0.46 -0.75 4.36 4.06 2dymE1 VAL 109 H 0.02 0.05 0.13 -0.55 8.24 7.90 2dymE1 VAL 109 HA -0.01 0.03 0.39 -0.75 4.13 3.79 2dymE1 VAL 109 HB 0.02 -0.01 0.02 -0.04 2.12 2.11 2dymE1 VAL 109 HG13 0.01 0.04 -0.02 -0.04 0.97 0.96 2dymE1 VAL 109 HG23 0.01 -0.00 0.07 -0.04 0.95 0.99 2dymE1 LYS 110 H -0.01 0.05 0.13 -0.55 8.42 8.03 2dymE1 LYS 110 HA -0.03 0.08 0.40 -0.75 4.32 4.01 2dymE1 LYS 110 HB2 -0.01 -0.03 0.11 -0.04 1.87 1.90 2dymE1 LYS 110 HB3 -0.02 -0.00 0.01 -0.04 1.79 1.74 2dymE1 LYS 110 HG2 -0.04 0.03 0.09 -0.04 1.46 1.50 2dymE1 LYS 110 HG3 -0.03 -0.03 0.05 -0.04 1.46 1.41 2dymE1 LYS 110 HD2 -0.05 -0.04 0.04 -0.04 1.69 1.60 2dymE1 LYS 110 HD3 -0.09 0.07 0.03 -0.04 1.68 1.65 2dymE1 LYS 110 HE2 -0.09 -0.02 0.02 -0.04 2.99 2.87 2dymE1 LYS 110 HE3 -0.08 0.09 0.01 -0.04 2.99 2.97 2dymE1 ASP 111 H 0.03 0.12 0.16 -0.55 8.40 8.15 2dymE1 ASP 111 HA 0.07 0.04 0.31 -0.75 4.63 4.30 2dymE1 ASP 111 HB2 0.02 0.13 -0.17 -0.04 2.71 2.64 2dymE1 ASP 111 HB3 0.02 -0.01 0.15 -0.04 2.70 2.81 2dymE1 VAL 112 H 0.10 0.18 -0.09 -0.55 8.24 7.88 2dymE1 VAL 112 HA 0.07 0.08 0.56 -0.75 4.13 4.08 2dymE1 VAL 112 HB 0.11 -0.02 0.07 -0.04 2.12 2.24 2dymE1 VAL 112 HG13 0.09 -0.01 -0.21 -0.04 0.97 0.79 2dymE1 VAL 112 HG23 0.06 0.04 -0.09 -0.04 0.95 0.92 2dymE1 LEU 113 H 0.09 0.17 0.12 -0.55 8.37 8.20 2dymE1 LEU 113 HA 0.06 0.13 0.79 -0.75 4.35 4.58 2dymE1 LEU 113 HB2 -0.02 0.02 -0.01 -0.04 1.64 1.59 2dymE1 LEU 113 HB3 0.03 -0.02 0.13 -0.04 1.64 1.74 2dymE1 LEU 113 HG 0.04 0.00 -0.48 -0.04 1.64 1.16 2dymE1 LEU 113 HD13 -0.06 -0.01 -0.05 -0.04 0.93 0.77 2dymE1 LEU 113 HD23 -0.49 -0.01 -0.09 -0.04 0.89 0.26 2dymE1 THR 114 H 0.08 0.20 0.11 -0.55 8.28 8.12 2dymE1 THR 114 HA 0.19 0.13 0.75 -0.75 4.39 4.71 2dymE1 THR 114 HB -0.01 -0.02 0.17 -0.04 4.32 4.42 2dymE1 THR 114 HG23 0.08 0.00 -0.07 -0.04 1.22 1.20 2dymE1 PHE 115 H 0.13 0.31 0.20 -0.55 8.34 8.43 2dymE1 PHE 115 HA -0.06 0.15 0.61 -0.75 4.62 4.56 2dymE1 PHE 115 HB2 -0.02 0.02 -0.11 -0.04 3.15 3.00 2dymE1 PHE 115 HB3 -0.02 0.04 -0.37 -0.04 3.06 2.67 2dymE1 PHE 115 HD2 0.02 0.04 -0.36 -0.04 7.28 6.94 2dymE1 PHE 115 HE2 0.02 0.01 -0.07 -0.04 7.38 7.29 2dymE1 PHE 115 HZ 0.02 -0.02 -0.05 -0.04 7.32 7.23 2dymE1 LEU 116 H 0.08 0.66 0.36 -0.55 8.37 8.93 2dymE1 LEU 116 HA 0.01 0.15 0.86 -0.75 4.35 4.62 2dymE1 LEU 116 HB2 0.21 0.01 -0.02 -0.04 1.64 1.80 2dymE1 LEU 116 HB3 0.01 -0.00 0.13 -0.04 1.64 1.74 2dymE1 LEU 116 HG 0.04 -0.04 -0.38 -0.04 1.64 1.22 2dymE1 LEU 116 HD13 0.05 -0.01 -0.08 -0.04 0.93 0.85 2dymE1 LEU 116 HD23 0.00 -0.01 -0.13 -0.04 0.89 0.71 2dymE1 ARG 117 H -0.01 0.23 0.14 -0.55 8.46 8.26 2dymE1 ARG 117 HA 0.12 0.21 1.00 -0.75 4.34 4.92 2dymE1 ARG 117 HB2 0.00 0.01 0.01 -0.04 1.90 1.88 2dymE1 ARG 117 HB3 -0.04 -0.02 0.22 -0.04 1.80 1.92 2dymE1 ARG 117 HG2 0.05 0.00 -0.14 -0.04 1.67 1.55 2dymE1 ARG 117 HG3 0.15 0.02 0.01 -0.04 1.67 1.80 2dymE1 ARG 117 HD2 -0.02 -0.03 0.02 -0.04 3.22 3.15 2dymE1 ARG 117 HD3 0.06 -0.03 -0.03 -0.04 3.22 3.18 2dymE1 ILE 118 H 0.06 0.73 0.37 -0.55 8.25 8.87 2dymE1 ILE 118 HA 0.15 0.26 1.14 -0.75 4.18 4.98 2dymE1 ILE 118 HB 0.15 -0.04 0.02 -0.04 1.89 1.98 2dymE1 ILE 118 HG12 -0.02 0.06 -0.09 -0.04 1.49 1.39 2dymE1 ILE 118 HG13 0.03 -0.04 -0.15 -0.04 1.21 1.01 2dymE1 ILE 118 HG23 0.07 -0.02 -0.26 -0.04 0.93 0.69 2dymE1 ILE 118 HD13 -0.45 -0.01 -0.17 -0.04 0.88 0.21 2dymE1 HIS 119 H 0.27 0.51 0.40 -0.55 8.41 9.05 2dymE1 HIS 119 HA 0.05 0.22 1.08 -0.75 4.63 5.24 2dymE1 HIS 119 HB2 0.05 -0.04 -0.02 -0.04 3.26 3.21 2dymE1 HIS 119 HB3 0.05 -0.09 0.03 -0.04 3.20 3.16 2dymE1 HIS 119 HD2 0.02 -0.03 -0.06 -0.04 6.97 6.85 2dymE1 HIS 119 HE1 0.01 -0.08 -0.12 -0.04 7.75 7.52 2dymE1 LEU 120 H -0.09 0.74 0.39 -0.55 8.37 8.86 2dymE1 LEU 120 HA -0.33 0.14 0.87 -0.75 4.35 4.27 2dymE1 LEU 120 HB2 -0.23 0.03 0.07 -0.04 1.64 1.47 2dymE1 LEU 120 HB3 -0.48 -0.09 0.18 -0.04 1.64 1.20 2dymE1 LEU 120 HG -0.72 -0.04 -0.06 -0.04 1.64 0.77 2dymE1 LEU 120 HD13 -0.84 -0.00 -0.07 -0.04 0.93 -0.02 2dymE1 LEU 120 HD23 -0.51 0.03 -0.01 -0.04 0.89 0.36 2dymE1 VAL 121 H -0.40 0.82 0.45 -0.55 8.24 8.56 2dymE1 VAL 121 HA -0.00 0.12 1.06 -0.75 4.13 4.55 2dymE1 VAL 121 HB -1.17 0.03 -0.05 -0.04 2.12 0.89 2dymE1 VAL 121 HG13 -0.64 -0.01 -0.09 -0.04 0.97 0.20 2dymE1 VAL 121 HG23 -0.13 -0.02 -0.27 -0.04 0.95 0.49 2dymE1 MET 122 H -0.19 0.19 0.25 -0.55 8.47 8.17 2dymE1 MET 122 HA -0.40 0.41 1.07 -0.75 4.52 4.85 2dymE1 MET 122 HB2 -0.47 0.07 0.09 -0.04 2.15 1.79 2dymE1 MET 122 HB3 -0.27 -0.06 -0.11 -0.04 2.03 1.54 2dymE1 MET 122 HG2 -0.26 -0.10 -0.06 -0.04 2.63 2.17 2dymE1 MET 122 HG3 -0.28 0.01 -0.30 -0.04 2.56 1.94 2dymE1 MET 122 HE3 -0.26 0.01 -0.07 -0.04 2.10 1.74 2dymE1 GLY 123 H -0.12 0.53 0.39 -0.55 8.43 8.68 2dymE1 GLY 123 HA2 0.02 0.06 0.56 -0.51 4.01 4.14 2dymE1 GLY 123 HA3 0.27 0.09 0.39 -0.51 4.01 4.24 2dymE1 ASP 124 H 0.09 0.14 0.18 -0.55 8.40 8.27 2dymE1 ASP 124 HA 0.12 0.22 0.67 -0.75 4.63 4.89 2dymE1 ASP 124 HB2 0.06 -0.05 0.14 -0.04 2.71 2.82 2dymE1 ASP 124 HB3 0.08 0.02 0.13 -0.04 2.70 2.89 2dymE1 SER 125 H 0.19 0.13 -0.27 -0.55 8.46 7.97 2dymE1 SER 125 HA -0.21 0.17 0.64 -0.75 4.49 4.33 2dymE1 SER 125 HB2 -0.12 0.04 0.02 -0.04 3.95 3.84 2dymE1 SER 125 HB3 -0.01 0.01 -0.17 -0.04 3.93 3.73 2dymE1 LEU 126 H -0.48 0.16 0.04 -0.55 8.37 7.55 2dymE1 LEU 126 HA -0.46 0.18 0.70 -0.75 4.35 4.01 2dymE1 LEU 126 HB2 -0.34 -0.07 -0.08 -0.04 1.64 1.11 2dymE1 LEU 126 HB3 -0.36 -0.01 0.02 -0.04 1.64 1.24 2dymE1 LEU 126 HG -0.28 0.27 -0.25 -0.04 1.64 1.34 2dymE1 LEU 126 HD13 0.12 -0.03 -0.14 -0.04 0.93 0.83 2dymE1 LEU 126 HD23 -0.02 -0.03 -0.17 -0.04 0.89 0.64 2dymE1 PRO 127 HA -0.30 0.10 0.41 -0.51 4.44 4.13 2dymE1 PRO 127 HB2 -0.36 -0.07 0.02 -0.04 2.28 1.83 2dymE1 PRO 127 HB3 -0.43 0.06 0.09 -0.04 2.02 1.70 2dymE1 PRO 127 HG2 -0.85 -0.01 0.01 -0.04 2.03 1.14 2dymE1 PRO 127 HG3 -1.63 0.06 0.00 -0.04 2.03 0.42 2dymE1 PRO 127 HD2 -1.78 0.07 0.10 -0.04 3.68 2.02 2dymE1 PRO 127 HD3 -2.01 0.16 0.06 -0.04 3.65 1.82 2dymE1 PRO 128 HA -0.13 0.13 0.40 -0.51 4.44 4.33 2dymE1 PRO 128 HB2 -0.08 0.03 0.02 -0.04 2.28 2.22 2dymE1 PRO 128 HB3 -0.09 0.01 0.12 -0.04 2.02 2.01 2dymE1 PRO 128 HG2 -0.09 0.03 0.02 -0.04 2.03 1.95 2dymE1 PRO 128 HG3 -0.08 0.02 0.06 -0.04 2.03 1.99 2dymE1 PRO 128 HD2 -0.16 0.05 0.21 -0.04 3.68 3.74 2dymE1 PRO 128 HD3 -0.14 0.15 0.19 -0.04 3.65 3.81 2dymE1 THR 129 H -0.15 -0.01 -0.48 -0.55 8.28 7.09 2dymE1 THR 129 HA -0.07 0.09 0.38 -0.75 4.39 4.03 2dymE1 THR 129 HB -0.11 -0.05 -0.03 -0.04 4.32 4.09 2dymE1 THR 129 HG23 -0.04 0.01 -0.19 -0.04 1.22 0.97 2dymE1 ILE 130 H -0.15 0.22 -0.22 -0.55 8.25 7.55 2dymE1 ILE 130 HA -0.09 0.20 0.94 -0.75 4.18 4.48 2dymE1 ILE 130 HB -0.02 -0.05 0.04 -0.04 1.89 1.81 2dymE1 ILE 130 HG12 -0.22 -0.06 -0.07 -0.04 1.49 1.10 2dymE1 ILE 130 HG13 -0.07 0.06 -0.30 -0.04 1.21 0.85 2dymE1 ILE 130 HG23 -0.00 -0.01 -0.48 -0.04 0.93 0.40 2dymE1 ILE 130 HD13 -0.02 -0.02 -0.08 -0.04 0.88 0.71 2dymE1 ILE 131 H -0.21 0.01 0.14 -0.55 8.25 7.64 2dymE1 ILE 131 HA -0.04 0.17 0.61 -0.75 4.18 4.18 2dymE1 ILE 131 HB -0.07 0.03 0.10 -0.04 1.89 1.91 2dymE1 ILE 131 HG12 -0.73 -0.13 0.13 -0.04 1.49 0.72 2dymE1 ILE 131 HG13 -0.26 0.10 -0.17 -0.04 1.21 0.84 2dymE1 ILE 131 HG23 -0.21 0.01 0.01 -0.04 0.93 0.70 2dymE1 ILE 131 HD13 -1.23 -0.01 -0.00 -0.04 0.88 -0.41 2dymE1 PRO 132 HA 0.33 0.15 0.46 -0.51 4.44 4.87 2dymE1 PRO 132 HB2 0.29 -0.01 -0.07 -0.04 2.28 2.45 2dymE1 PRO 132 HB3 0.22 0.07 0.06 -0.04 2.02 2.33 2dymE1 PRO 132 HG2 0.21 -0.07 0.01 -0.04 2.03 2.14 2dymE1 PRO 132 HG3 0.15 0.05 0.04 -0.04 2.03 2.22 2dymE1 PRO 132 HD2 0.09 0.04 0.20 -0.04 3.68 3.97 2dymE1 PRO 132 HD3 0.06 0.22 0.19 -0.04 3.65 4.08 2dymE1 ILE 133 H 0.37 0.27 0.16 -0.55 8.25 8.51 2dymE1 ILE 133 HA -0.05 0.06 0.81 -0.75 4.18 4.25 2dymE1 ILE 133 HB 0.24 0.06 0.22 -0.04 1.89 2.37 2dymE1 ILE 133 HG12 -0.64 -0.06 -0.00 -0.04 1.49 0.74 2dymE1 ILE 133 HG13 0.36 0.11 0.05 -0.04 1.21 1.69 2dymE1 ILE 133 HG23 -0.14 0.00 -0.07 -0.04 0.93 0.68 2dymE1 ILE 133 HD13 0.03 -0.03 -0.11 -0.04 0.88 0.74 2dymE1 ALA 134 H 0.12 0.14 -0.05 -0.55 8.40 8.07 2dymE1 ALA 134 HA 0.15 0.08 0.38 -0.75 4.34 4.20 2dymE1 ALA 134 HB3 0.10 -0.03 0.11 -0.04 1.41 1.55 2dymE1 SER 135 H 0.09 0.12 0.18 -0.55 8.46 8.31 2dymE1 SER 135 HA 0.07 0.18 0.47 -0.75 4.49 4.46 2dymE1 SER 135 HB2 0.02 0.03 0.06 -0.04 3.95 4.02 2dymE1 SER 135 HB3 0.07 0.08 0.12 -0.04 3.93 4.16 2dymE1 SER 136 H 0.06 -0.01 -0.09 -0.55 8.46 7.87 2dymE1 SER 136 HA 0.04 0.11 0.42 -0.75 4.49 4.31 2dymE1 SER 136 HB2 0.05 0.04 -0.01 -0.04 3.95 3.98 2dymE1 SER 136 HB3 0.05 0.08 0.08 -0.04 3.93 4.10 2dymE1 LYS 137 H 0.05 0.24 0.17 -0.55 8.42 8.32 2dymE1 LYS 137 HA 0.05 0.10 0.41 -0.75 4.32 4.12 2dymE1 THR 138 H 0.04 0.55 -0.36 -0.55 8.28 7.96 2dymE1 THR 138 HA 0.03 0.18 0.71 -0.75 4.39 4.55 2dymE1 THR 138 HB 0.05 0.08 -0.23 -0.04 4.32 4.17 2dymE1 THR 138 HG23 0.05 -0.02 -0.21 -0.04 1.22 1.00 2dymE1 GLN 139 H 0.04 0.35 0.20 -0.55 8.47 8.52 2dymE1 GLN 139 HA 0.11 0.08 0.40 -0.75 4.36 4.20 2dymE1 GLN 139 HB2 0.10 0.00 0.16 -0.04 2.15 2.37 2dymE1 GLN 139 HB3 0.01 0.06 0.18 -0.04 2.02 2.23 2dymE1 GLN 139 HG2 0.32 0.00 -0.35 -0.04 2.40 2.33 2dymE1 GLN 139 HG3 0.26 0.02 -0.00 -0.04 2.39 2.62 2dymE1 GLN 139 HE21 0.39 0.58 0.03 -0.04 6.97 7.93 2dymE1 GLN 139 HE22 0.31 -0.05 0.01 -0.04 7.69 7.92 2dymE1 ALA 140 H 0.01 0.16 -0.12 -0.55 8.40 7.90 2dymE1 ALA 140 HA 0.34 0.09 0.33 -0.75 4.34 4.34 2dymE1 ALA 140 HB3 0.24 0.03 -0.04 -0.04 1.41 1.59 2dymE1 GLU 141 H -0.36 0.11 -0.33 -0.55 8.60 7.48 2dymE1 GLU 141 HA -1.62 0.06 0.37 -0.75 4.29 2.35 2dymE1 GLU 141 HB2 -1.66 0.01 0.05 -0.04 2.09 0.45 2dymE1 GLU 141 HB3 -0.37 0.11 0.10 -0.04 1.99 1.79 2dymE1 GLU 141 HG2 0.12 0.02 -0.24 -0.04 2.34 2.19 2dymE1 GLU 141 HG3 -0.37 -0.02 -0.01 -0.04 2.34 1.91 2dymE1 LYS 142 H 0.02 0.47 -0.08 -0.55 8.42 8.27 2dymE1 LYS 142 HA 0.24 0.02 0.38 -0.75 4.32 4.20 2dymE1 LYS 142 HB2 0.12 0.09 0.15 -0.04 1.87 2.19 2dymE1 LYS 142 HB3 0.14 -0.01 -0.04 -0.04 1.79 1.84 2dymE1 LYS 142 HG2 0.07 -0.02 -0.01 -0.04 1.46 1.46 2dymE1 LYS 142 HG3 0.08 -0.01 0.02 -0.04 1.46 1.51 2dymE1 LYS 142 HD2 0.05 -0.07 -0.00 -0.04 1.69 1.62 2dymE1 LYS 142 HD3 0.05 0.21 -0.01 -0.04 1.68 1.89 2dymE1 LYS 142 HE2 0.03 -0.03 -0.03 -0.04 2.99 2.93 2dymE1 LYS 142 HE3 0.04 -0.02 -0.04 -0.04 2.99 2.93 2dymE1 PHE 143 H 0.34 0.61 -0.13 -0.55 8.34 8.60 2dymE1 PHE 143 HA 0.19 0.02 0.44 -0.75 4.62 4.51 2dymE1 PHE 143 HB2 0.19 -0.01 0.08 -0.04 3.15 3.38 2dymE1 PHE 143 HB3 0.23 0.06 0.13 -0.04 3.06 3.44 2dymE1 PHE 143 HD2 0.05 -0.01 -0.07 -0.04 7.28 7.21 2dymE1 PHE 143 HE2 -0.06 0.09 -0.01 -0.04 7.38 7.35 2dymE1 PHE 143 HZ -0.20 0.06 -0.00 -0.04 7.32 7.13 2dymE1 TRP 144 H 0.49 0.72 -0.06 -0.55 7.97 8.57 2dymE1 TRP 144 HA 0.20 0.01 0.41 -0.75 4.62 4.48 2dymE1 TRP 144 HB2 0.48 0.03 0.10 -0.04 3.23 3.80 2dymE1 TRP 144 HB3 -0.09 0.11 0.19 -0.04 3.23 3.40 2dymE1 TRP 144 HD1 0.07 -0.05 -0.04 -0.04 7.22 7.16 2dymE1 TRP 144 HE1 -0.05 0.20 -0.17 -0.04 10.20 10.14 2dymE1 TRP 144 HE3 -0.80 0.03 -0.05 -0.04 7.59 6.73 2dymE1 TRP 144 HZ2 0.07 0.13 -0.01 -0.04 7.44 7.59 2dymE1 TRP 144 HZ3 -0.71 -0.07 -0.11 -0.04 7.13 6.20 2dymE1 TRP 144 HH2 -2.77 -0.01 -0.22 -0.04 7.19 4.14 2dymE1 PHE 145 H 0.37 0.59 -0.14 -0.55 8.34 8.60 2dymE1 PHE 145 HA -0.03 0.01 0.45 -0.75 4.62 4.30 2dymE1 PHE 145 HB2 0.14 0.12 0.15 -0.04 3.15 3.51 2dymE1 PHE 145 HB3 0.10 -0.03 -0.02 -0.04 3.06 3.06 2dymE1 PHE 145 HD2 0.12 0.03 -0.06 -0.04 7.28 7.33 2dymE1 PHE 145 HE2 0.31 -0.02 -0.02 -0.04 7.38 7.60 2dymE1 PHE 145 HZ 0.50 0.15 0.11 -0.04 7.32 8.04 2dymE1 HIS 146 H 0.18 0.46 -0.25 -0.55 8.41 8.25 2dymE1 HIS 146 HA 0.02 -0.03 0.45 -0.75 4.63 4.31 2dymE1 HIS 146 HB2 -0.00 -0.01 0.14 -0.04 3.26 3.34 2dymE1 HIS 146 HB3 -0.27 0.20 0.22 -0.04 3.20 3.31 2dymE1 HIS 146 HD2 -0.02 -0.04 0.05 -0.04 6.97 6.92 2dymE1 HIS 146 HE1 -0.01 0.01 -0.03 -0.04 7.75 7.67 2dymE1 GLN 147 H -0.25 0.50 -0.17 -0.55 8.47 8.00 2dymE1 GLN 147 HA -0.28 -0.01 0.44 -0.75 4.36 3.76 2dymE1 GLN 147 HB2 -0.28 0.20 0.27 -0.04 2.15 2.30 2dymE1 GLN 147 HB3 -0.16 0.05 0.07 -0.04 2.02 1.94 2dymE1 GLN 147 HG2 -0.90 0.15 0.03 -0.04 2.40 1.64 2dymE1 GLN 147 HG3 -0.04 -0.05 0.01 -0.04 2.39 2.26 2dymE1 GLN 147 HE21 -0.19 -0.01 -0.02 -0.04 6.97 6.72 2dymE1 GLN 147 HE22 0.06 -0.00 -0.00 -0.04 7.69 7.70 2dymE1 TRP 148 H -0.16 0.51 0.01 -0.55 7.97 7.79 2dymE1 TRP 148 HA -0.25 0.09 0.44 -0.75 4.62 4.14 2dymE1 TRP 148 HB2 -0.41 0.05 0.14 -0.04 3.23 2.97 2dymE1 TRP 148 HB3 -0.15 -0.07 -0.03 -0.04 3.23 2.94 2dymE1 TRP 148 HD1 -2.13 0.04 -0.03 -0.04 7.22 5.06 2dymE1 TRP 148 HE1 -0.25 0.33 0.08 -0.04 10.20 10.32 2dymE1 TRP 148 HE3 -0.08 -0.10 -0.02 -0.04 7.59 7.35 2dymE1 TRP 148 HZ2 0.34 0.05 -0.16 -0.04 7.44 7.63 2dymE1 TRP 148 HZ3 0.00 0.03 -0.07 -0.04 7.13 7.05 2dymE1 TRP 148 HH2 0.09 0.06 -0.07 -0.04 7.19 7.23 2dymE1 LYS 149 H 0.06 0.56 -0.30 -0.55 8.42 8.18 2dymE1 LYS 149 HA 0.09 -0.08 0.44 -0.75 4.32 4.03 2dymE1 LYS 149 HB2 0.10 0.21 0.19 -0.04 1.87 2.33 2dymE1 LYS 149 HB3 -0.01 0.15 0.15 -0.04 1.79 2.04 2dymE1 LYS 149 HG2 0.03 -0.07 -0.02 -0.04 1.46 1.36 2dymE1 LYS 149 HG3 0.07 -0.05 0.08 -0.04 1.46 1.51 2dymE1 LYS 149 HD2 0.10 0.03 -0.02 -0.04 1.69 1.75 2dymE1 LYS 149 HD3 0.12 0.02 0.01 -0.04 1.68 1.79 2dymE1 LYS 149 HE2 0.04 -0.02 -0.02 -0.04 2.99 2.95 2dymE1 LYS 149 HE3 0.04 -0.00 -0.02 -0.04 2.99 2.97 2dymE1 GLN 150 H -0.17 0.54 -0.16 -0.55 8.47 8.14 2dymE1 GLN 150 HA -0.02 -0.04 0.41 -0.75 4.36 3.95 2dymE1 GLN 150 HB2 -0.08 0.19 0.16 -0.04 2.15 2.38 2dymE1 GLN 150 HB3 0.01 -0.06 0.02 -0.04 2.02 1.95 2dymE1 GLN 150 HG2 -0.54 0.32 0.12 -0.04 2.40 2.26 2dymE1 GLN 150 HG3 -0.24 -0.04 0.02 -0.04 2.39 2.09 2dymE1 GLN 150 HE21 -0.05 -0.04 -0.01 -0.04 6.97 6.82 2dymE1 GLN 150 HE22 -0.05 0.02 -0.01 -0.04 7.69 7.62 2dymE1 VAL 151 H -0.28 0.57 -0.09 -0.55 8.24 7.89 2dymE1 VAL 151 HA -0.45 0.00 0.40 -0.75 4.13 3.33 2dymE1 VAL 151 HB -0.45 0.04 0.19 -0.04 2.12 1.86 2dymE1 VAL 151 HG13 -0.35 -0.01 -0.08 -0.04 0.97 0.49 2dymE1 VAL 151 HG23 -1.28 0.03 -0.07 -0.04 0.95 -0.41 2dymE1 CYS 152 H 0.04 0.80 -0.03 -0.55 8.50 8.76 2dymE1 CYS 152 HA 0.06 0.03 0.54 -0.75 4.58 4.46 2dymE1 CYS 152 HB2 0.10 0.07 0.25 -0.04 2.97 3.36 2dymE1 CYS 152 HB3 0.08 -0.04 0.20 -0.04 2.97 3.16 2dymE1 PHE 153 H 0.14 0.48 -0.29 -0.55 8.34 8.12 2dymE1 PHE 153 HA -0.02 -0.16 0.07 -0.75 4.62 3.76 2dymE1 PHE 153 HB2 -0.03 0.00 0.01 -0.04 3.15 3.09 2dymE1 PHE 153 HB3 -0.06 0.19 0.07 -0.04 3.06 3.22 2dymE1 PHE 153 HD2 -0.04 -0.12 -0.13 -0.04 7.28 6.95 2dymE1 PHE 153 HE2 -0.04 0.01 -0.01 -0.04 7.38 7.30 2dymE1 PHE 153 HZ -0.03 -0.02 -0.01 -0.04 7.32 7.22 2dymE1 ILE 154 H -0.01 0.52 -0.19 -0.55 8.25 8.03 2dymE1 ILE 154 HA -0.20 -0.00 0.37 -0.75 4.18 3.60 2dymE1 ILE 154 HB -0.15 0.13 0.09 -0.04 1.89 1.92 2dymE1 ILE 154 HG12 -0.01 -0.08 -0.03 -0.04 1.49 1.33 2dymE1 ILE 154 HG13 0.03 0.21 0.08 -0.04 1.21 1.50 2dymE1 ILE 154 HG23 -0.08 -0.00 -0.35 -0.04 0.93 0.46 2dymE1 ILE 154 HD13 -0.01 -0.02 -0.10 -0.04 0.88 0.70 2dymE1 LEU 155 H -0.10 0.58 -0.04 -0.55 8.37 8.26 2dymE1 LEU 155 HA -0.10 0.11 0.73 -0.75 4.35 4.34 2dymE1 LEU 155 HB2 -0.02 0.05 0.29 -0.04 1.64 1.91 2dymE1 LEU 155 HB3 -0.01 -0.09 0.06 -0.04 1.64 1.55 2dymE1 LEU 155 HG -0.17 0.06 0.11 -0.04 1.64 1.61 2dymE1 LEU 155 HD13 0.18 -0.01 0.02 -0.04 0.93 1.07 2dymE1 LEU 155 HD23 -0.30 0.05 0.12 -0.04 0.89 0.72 2dymE1 ASN 156 H -0.06 0.82 0.26 -0.55 8.53 9.01 2dymE1 ASN 156 HA -0.05 0.16 0.93 -0.75 4.76 5.05 2dymE1 ASN 156 HB2 -0.02 0.06 0.17 -0.04 2.88 3.06 2dymE1 ASN 156 HB3 -0.02 -0.07 0.17 -0.04 2.79 2.82 2dymE1 ASN 156 HD21 0.05 0.34 0.24 -0.04 7.03 7.61 2dymE1 ASN 156 HD22 0.03 -0.12 0.16 -0.04 7.74 7.76 2dymE1 GLY 157 H -0.23 0.46 -0.01 -0.55 8.43 8.11 2dymE1 GLY 157 HA2 -0.47 0.08 0.38 -0.51 4.01 3.49 2dymE1 GLY 157 HA3 -0.18 0.10 0.81 -0.51 4.01 4.23 2dymE1 SER 158 H -0.07 0.32 -0.05 -0.55 8.46 8.11 2dymE1 SER 158 HA 0.49 0.12 0.51 -0.75 4.49 4.85 2dymE1 SER 158 HB2 0.13 -0.05 0.14 -0.04 3.95 4.13 2dymE1 SER 158 HB3 0.06 0.18 -0.26 -0.04 3.93 3.87 2dymE1 SER 159 H 0.19 0.20 0.11 -0.55 8.46 8.41 2dymE1 SER 159 HA 0.11 0.23 0.88 -0.75 4.49 4.95 2dymE1 SER 159 HB2 0.08 -0.05 0.27 -0.04 3.95 4.21 2dymE1 SER 159 HB3 0.12 0.23 0.11 -0.04 3.93 4.35 2dymE1 LYS 160 H 0.06 0.16 -0.22 -0.55 8.42 7.87 2dymE1 LYS 160 HA 0.03 0.09 0.37 -0.75 4.32 4.05 2dymE1 LYS 160 HB2 0.02 0.04 0.05 -0.04 1.87 1.94 2dymE1 LYS 160 HB3 0.03 -0.00 0.07 -0.04 1.79 1.85 2dymE1 LYS 160 HG2 0.02 -0.01 -0.06 -0.04 1.46 1.38 2dymE1 LYS 160 HG3 0.01 0.06 -0.29 -0.04 1.46 1.19 2dymE1 LYS 160 HD2 0.01 -0.00 -0.05 -0.04 1.69 1.61 2dymE1 LYS 160 HD3 0.02 0.00 -0.03 -0.04 1.68 1.63 2dymE1 LYS 160 HE2 -0.00 0.01 -0.07 -0.04 2.99 2.89 2dymE1 LYS 160 HE3 0.00 -0.00 -0.04 -0.04 2.99 2.91 2dymE1 ALA 161 H 0.03 0.15 -0.30 -0.55 8.40 7.73 2dymE1 ALA 161 HA -0.01 0.06 0.34 -0.75 4.34 3.98 2dymE1 ALA 161 HB3 -0.00 0.03 0.08 -0.04 1.41 1.48 2dymE1 ILE 162 H 0.04 0.16 -0.22 -0.55 8.25 7.68 2dymE1 ILE 162 HA 0.00 0.12 0.61 -0.75 4.18 4.16 2dymE1 ILE 162 HB 0.11 0.04 -0.01 -0.04 1.89 1.98 2dymE1 ILE 162 HG12 0.26 0.00 -0.08 -0.04 1.49 1.63 2dymE1 ILE 162 HG13 0.23 -0.00 -0.10 -0.04 1.21 1.30 2dymE1 ILE 162 HG23 0.10 0.03 0.01 -0.04 0.93 1.03 2dymE1 ILE 162 HD13 0.09 0.00 0.00 -0.04 0.88 0.94 2dymE1 MET 163 H 0.04 0.42 -0.01 -0.55 8.47 8.37 2dymE1 MET 163 HA 0.01 0.05 0.38 -0.75 4.52 4.20 2dymE1 MET 163 HB2 0.02 -0.05 0.09 -0.04 2.15 2.17 2dymE1 MET 163 HB3 0.01 -0.02 -0.01 -0.04 2.03 1.96 2dymE1 MET 163 HG2 0.04 0.05 0.04 -0.04 2.63 2.72 2dymE1 MET 163 HG3 0.02 -0.08 -0.06 -0.04 2.56 2.41 2dymE1 MET 163 HE3 0.04 0.01 -0.08 -0.04 2.10 2.03 2dymE1 SER 164 H 0.00 0.54 -0.33 -0.55 8.46 8.13 2dymE1 SER 164 HA -0.01 -0.04 0.37 -0.75 4.49 4.06 2dymE1 SER 164 HB2 -0.02 0.11 0.07 -0.04 3.95 4.07 2dymE1 SER 164 HB3 -0.02 -0.12 -0.07 -0.04 3.93 3.69 2dymE1 LEU 165 H -0.02 0.24 -0.29 -0.55 8.37 7.75 2dymE1 LEU 165 HA -0.03 -0.13 0.32 -0.75 4.35 3.76 2dymE1 LEU 165 HB2 0.01 0.15 0.03 -0.04 1.64 1.79 2dymE1 LEU 165 HB3 0.02 -0.15 -0.02 -0.04 1.64 1.45 2dymE1 LEU 165 HG -0.03 0.19 0.18 -0.04 1.64 1.94 2dymE1 LEU 165 HD13 0.02 -0.02 -0.03 -0.04 0.93 0.86 2dymE1 LEU 165 HD23 -0.11 -0.04 0.02 -0.04 0.89 0.72 2dymE1 SER 166 H -0.01 -0.02 0.17 -0.55 8.46 8.06 2dymE1 SER 166 HA -0.01 0.24 0.56 -0.75 4.49 4.53 2dymE1 SER 166 HB2 0.00 -0.05 0.19 -0.04 3.95 4.05 2dymE1 SER 166 HB3 -0.00 0.14 0.16 -0.04 3.93 4.18 2dymE1 VAL 167 H 0.00 0.17 0.18 -0.55 8.24 8.05 2dymE1 VAL 167 HA 0.00 0.17 0.39 -0.75 4.13 3.94 2dymE1 VAL 167 HB 0.02 -0.07 0.16 -0.04 2.12 2.19 2dymE1 VAL 167 HG13 0.03 0.01 -0.12 -0.04 0.97 0.86 2dymE1 VAL 167 HG23 -0.00 0.03 0.08 -0.04 0.95 1.02 2dymE1 ASN 168 H 0.03 0.09 -0.05 -0.55 8.53 8.05 2dymE1 ASN 168 HA 0.06 0.11 0.38 -0.75 4.76 4.56 2dymE1 ASN 168 HB2 0.03 -0.06 0.10 -0.04 2.88 2.91 2dymE1 ASN 168 HB3 0.04 0.07 -0.06 -0.04 2.79 2.79 2dymE1 ASN 168 HD21 0.03 0.03 0.00 -0.04 7.03 7.05 2dymE1 ASN 168 HD22 0.03 0.02 -0.01 -0.04 7.74 7.74 2dymE1 GLU 169 H 0.04 0.04 -0.24 -0.55 8.60 7.90 2dymE1 GLU 169 HA 0.06 0.06 0.37 -0.75 4.29 4.02 2dymE1 GLU 169 HB2 0.01 -0.13 0.13 -0.04 2.09 2.06 2dymE1 GLU 169 HB3 0.02 0.12 -0.01 -0.04 1.99 2.08 2dymE1 GLU 169 HG2 -0.04 0.04 0.03 -0.04 2.34 2.32 2dymE1 GLU 169 HG3 -0.01 -0.02 0.03 -0.04 2.34 2.30 2dymE1 ALA 170 H 0.09 0.59 -0.25 -0.55 8.40 8.29 2dymE1 ALA 170 HA 0.46 0.04 0.39 -0.75 4.34 4.48 2dymE1 ALA 170 HB3 -0.05 0.05 0.04 -0.04 1.41 1.41 2dymE1 ARG 171 H 0.18 0.57 -0.14 -0.55 8.46 8.51 2dymE1 ARG 171 HA 0.34 -0.01 0.40 -0.75 4.34 4.33 2dymE1 LYS 172 H 0.21 0.42 -0.35 -0.55 8.42 8.15 2dymE1 LYS 172 HA 0.15 0.01 0.50 -0.75 4.32 4.23 2dymE1 LYS 172 HB2 0.10 -0.02 0.06 -0.04 1.87 1.97 2dymE1 LYS 172 HB3 0.13 0.18 0.21 -0.04 1.79 2.27 2dymE1 LYS 172 HG2 0.10 0.03 -0.22 -0.04 1.46 1.33 2dymE1 LYS 172 HG3 0.08 -0.06 0.01 -0.04 1.46 1.45 2dymE1 LYS 172 HD2 0.04 -0.03 -0.04 -0.04 1.69 1.62 2dymE1 LYS 172 HD3 0.03 0.00 -0.01 -0.04 1.68 1.66 2dymE1 LYS 172 HE2 -0.00 0.03 -0.01 -0.04 2.99 2.97 2dymE1 LYS 172 HE3 0.02 -0.04 -0.02 -0.04 2.99 2.90 2dymE1 PHE 173 H 0.43 0.58 -0.03 -0.55 8.34 8.77 2dymE1 PHE 173 HA 0.14 0.03 0.38 -0.75 4.62 4.41 2dymE1 PHE 173 HB2 0.17 0.05 0.12 -0.04 3.15 3.46 2dymE1 PHE 173 HB3 0.51 0.06 0.19 -0.04 3.06 3.77 2dymE1 PHE 173 HD2 -0.03 -0.03 0.02 -0.04 7.28 7.20 2dymE1 PHE 173 HE2 -1.36 0.04 -0.01 -0.04 7.38 6.01 2dymE1 PHE 173 HZ -1.69 0.06 -0.07 -0.04 7.32 5.57 2dymE1 TRP 174 H 0.67 0.54 -0.00 -0.55 7.97 8.64 2dymE1 TRP 174 HA -0.74 0.07 0.42 -0.75 4.62 3.61 2dymE1 TRP 174 HB2 0.17 0.02 0.09 -0.04 3.23 3.47 2dymE1 TRP 174 HB3 0.25 0.07 0.10 -0.04 3.23 3.61 2dymE1 TRP 174 HD1 0.10 0.05 -0.10 -0.04 7.22 7.23 2dymE1 TRP 174 HE1 0.03 0.03 -0.04 -0.04 10.20 10.19 2dymE1 TRP 174 HE3 -1.84 0.07 0.01 -0.04 7.59 5.79 2dymE1 TRP 174 HZ2 0.04 0.00 -0.08 -0.04 7.44 7.36 2dymE1 TRP 174 HZ3 -0.58 0.05 -0.09 -0.04 7.13 6.47 2dymE1 TRP 174 HH2 0.26 -0.04 -0.14 -0.04 7.19 7.22 2dymE1 GLY 175 H 0.23 0.37 -0.43 -0.55 8.43 8.06 2dymE1 GLY 175 HA2 -0.13 -0.03 0.40 -0.51 4.01 3.74 2dymE1 GLY 175 HA3 0.05 0.12 0.35 -0.51 4.01 4.02 2dymE1 SER 176 H 0.10 0.56 -0.30 -0.55 8.46 8.27 2dymE1 SER 176 HA 0.11 -0.14 0.40 -0.75 4.49 4.10 2dymE1 SER 176 HB2 0.20 0.14 0.15 -0.04 3.95 4.40 2dymE1 SER 176 HB3 0.19 0.04 0.09 -0.04 3.93 4.20 2dymE1 VAL 177 H -0.24 0.34 -0.33 -0.55 8.24 7.46 2dymE1 VAL 177 HA -0.11 0.08 0.43 -0.75 4.13 3.78 2dymE1 VAL 177 HB -1.34 0.10 0.18 -0.04 2.12 1.02 2dymE1 VAL 177 HG13 -0.76 0.00 -0.04 -0.04 0.97 0.14 2dymE1 VAL 177 HG23 -0.40 0.02 0.06 -0.04 0.95 0.59 2dymE1 ILE 178 H -0.66 0.31 -0.04 -0.55 8.25 7.31 2dymE1 ILE 178 HA -0.41 0.05 0.47 -0.75 4.18 3.53 2dymE1 ILE 178 HB -0.29 0.05 0.20 -0.04 1.89 1.81 2dymE1 ILE 178 HG12 -1.26 0.14 0.09 -0.04 1.49 0.41 2dymE1 ILE 178 HG13 -0.31 -0.05 0.03 -0.04 1.21 0.83 2dymE1 ILE 178 HG23 -0.18 -0.01 -0.06 -0.04 0.93 0.65 2dymE1 ILE 178 HD13 -0.40 -0.01 0.01 -0.04 0.88 0.43 2dymE1 THR 179 H -0.13 0.62 0.06 -0.55 8.28 8.28 2dymE1 THR 179 HA -0.07 0.12 0.55 -0.75 4.39 4.24 2dymE1 THR 179 HB 0.01 -0.04 0.07 -0.04 4.32 4.32 2dymE1 THR 179 HG23 -0.03 -0.00 0.02 -0.04 1.22 1.17 2dymE1 ARG 180 H 0.00 0.32 -0.47 -0.55 8.46 7.76 2dymE1 ARG 180 HA 0.25 0.12 0.30 -0.75 4.34 4.26 2dymE1 ARG 180 HB2 0.05 0.14 0.30 -0.04 1.90 2.35 2dymE1 ARG 180 HB3 0.01 -0.06 0.21 -0.04 1.80 1.92 2dymE1 ARG 180 HG2 -0.12 0.05 -0.46 -0.04 1.67 1.11 2dymE1 ARG 180 HG3 -0.16 -0.07 -0.04 -0.04 1.67 1.37 2dymE1 ARG 180 HD2 -0.34 0.30 0.04 -0.04 3.22 3.18 2dymE1 ARG 180 HD3 -0.30 -0.05 0.02 -0.04 3.22 2.85 2dymE1 ASN 181 H 0.25 0.24 0.02 -0.55 8.53 8.49 2dymE1 ASN 181 HA 0.16 0.12 0.66 -0.75 4.76 4.94 2dymE1 ASN 181 HB2 0.09 0.10 0.03 -0.04 2.88 3.05 2dymE1 ASN 181 HB3 0.10 -0.05 0.21 -0.04 2.79 3.01 2dymE1 ASN 181 HD21 0.03 -0.01 0.00 -0.04 7.03 7.02 2dymE1 ASN 181 HD22 0.05 0.08 -0.00 -0.04 7.74 7.83 2dymE1 PHE 182 H 0.18 0.34 0.15 -0.55 8.34 8.46 2dymE1 PHE 182 HA -1.44 0.13 0.34 -0.75 4.62 2.90 2dymE1 PHE 182 HB2 -0.56 0.15 0.10 -0.04 3.15 2.81 2dymE1 PHE 182 HB3 -0.21 -0.07 0.13 -0.04 3.06 2.87 2dymE1 PHE 182 HD2 -0.75 -0.00 -0.05 -0.04 7.28 6.44 2dymE1 PHE 182 HE2 -0.08 0.04 -0.14 -0.04 7.38 7.17 2dymE1 PHE 182 HZ -0.04 0.03 -0.05 -0.04 7.32 7.22 2dymE1 GLN 183 H -0.01 0.11 -0.09 -0.55 8.47 7.93 2dymE1 GLN 183 HA -0.27 0.10 0.38 -0.75 4.36 3.82 2dymE1 GLN 183 HB2 -0.02 -0.04 0.08 -0.04 2.15 2.13 2dymE1 GLN 183 HB3 -0.05 0.04 -0.04 -0.04 2.02 1.92 2dymE1 GLN 183 HG2 0.01 0.03 0.02 -0.04 2.40 2.42 2dymE1 GLN 183 HG3 0.00 0.03 0.03 -0.04 2.39 2.42 2dymE1 GLN 183 HE21 0.16 0.05 0.02 -0.04 6.97 7.15 2dymE1 GLN 183 HE22 0.13 0.02 -0.00 -0.04 7.69 7.80 2dymE1 ASP 184 H -0.05 0.11 -0.20 -0.55 8.40 7.71 2dymE1 ASP 184 HA -0.05 0.03 0.41 -0.75 4.63 4.26 2dymE1 ASP 184 HB2 0.05 0.09 0.10 -0.04 2.71 2.90 2dymE1 ASP 184 HB3 0.07 0.06 -0.05 -0.04 2.70 2.75 2dymE1 PHE 185 H -0.06 0.41 -0.21 -0.55 8.34 7.93 2dymE1 PHE 185 HA 0.21 0.04 0.42 -0.75 4.62 4.54 2dymE1 PHE 185 HB2 -0.13 0.00 0.03 -0.04 3.15 3.01 2dymE1 PHE 185 HB3 -0.79 0.09 0.10 -0.04 3.06 2.42 2dymE1 PHE 185 HD2 0.06 0.01 -0.19 -0.04 7.28 7.12 2dymE1 PHE 185 HE2 0.56 0.08 -0.04 -0.04 7.38 7.94 2dymE1 PHE 185 HZ 0.76 0.03 -0.02 -0.04 7.32 8.05 2dymE1 ILE 186 H -0.35 0.54 -0.11 -0.55 8.25 7.77 2dymE1 ILE 186 HA -0.14 0.07 0.38 -0.75 4.18 3.73 2dymE1 ILE 186 HB -0.42 0.05 0.16 -0.04 1.89 1.63 2dymE1 ILE 186 HG12 -1.26 0.22 0.09 -0.04 1.49 0.50 2dymE1 ILE 186 HG13 -1.39 -0.08 -0.03 -0.04 1.21 -0.33 2dymE1 ILE 186 HG23 -0.18 -0.01 -0.13 -0.04 0.93 0.56 2dymE1 ILE 186 HD13 -0.18 -0.00 -0.03 -0.04 0.88 0.63 2dymE1 GLU 187 H -0.20 0.56 -0.09 -0.55 8.60 8.32 2dymE1 GLU 187 HA -0.15 0.00 0.35 -0.75 4.29 3.74 2dymE1 GLU 187 HB2 -0.12 0.02 0.12 -0.04 2.09 2.07 2dymE1 GLU 187 HB3 -0.13 0.06 0.17 -0.04 1.99 2.06 2dymE1 GLU 187 HG2 -0.13 0.01 -0.28 -0.04 2.34 1.90 2dymE1 GLU 187 HG3 -0.09 -0.02 0.01 -0.04 2.34 2.19 2dymE1 ILE 188 H -0.27 0.54 -0.11 -0.55 8.25 7.87 2dymE1 ILE 188 HA -0.37 0.02 0.51 -0.75 4.18 3.59 2dymE1 ILE 188 HB -0.88 0.10 0.09 -0.04 1.89 1.17 2dymE1 ILE 188 HG12 -0.15 0.20 0.09 -0.04 1.49 1.59 2dymE1 ILE 188 HG13 -0.11 -0.03 -0.00 -0.04 1.21 1.03 2dymE1 ILE 188 HG23 -0.93 -0.02 -0.06 -0.04 0.93 -0.12 2dymE1 ILE 188 HD13 -0.16 -0.03 -0.07 -0.04 0.88 0.58 2dymE1 SER 189 H -0.56 0.61 -0.09 -0.55 8.46 7.88 2dymE1 SER 189 HA -0.81 0.00 0.41 -0.75 4.49 3.34 2dymE1 SER 189 HB2 -0.11 -0.02 0.00 -0.04 3.95 3.79 2dymE1 SER 189 HB3 -0.77 -0.01 0.09 -0.04 3.93 3.20 2dymE1 ASN 190 H -0.23 0.52 -0.22 -0.55 8.53 8.06 2dymE1 ASN 190 HA -0.04 0.09 0.56 -0.75 4.76 4.62 2dymE1 ASN 190 HB2 -0.11 0.11 0.12 -0.04 2.88 2.96 2dymE1 ASN 190 HB3 -0.05 -0.06 0.00 -0.04 2.79 2.63 2dymE1 ASN 190 HD21 -0.04 -0.06 -0.04 -0.04 7.03 6.85 2dymE1 ASN 190 HD22 -0.07 -0.06 -0.06 -0.04 7.74 7.51 2dymE1 LYS 191 H -0.21 0.35 -0.15 -0.55 8.42 7.85 2dymE1 LYS 191 HA -0.10 -0.01 0.37 -0.75 4.32 3.82 2dymE1 LYS 191 HB2 -0.15 0.03 0.16 -0.04 1.87 1.87 2dymE1 LYS 191 HB3 -0.25 0.12 0.20 -0.04 1.79 1.82 2dymE1 LYS 191 HG2 -0.12 0.03 -0.21 -0.04 1.46 1.11 2dymE1 LYS 191 HG3 -0.09 -0.06 0.04 -0.04 1.46 1.31 2dymE1 LYS 191 HD2 -0.11 -0.05 -0.01 -0.04 1.69 1.48 2dymE1 LYS 191 HD3 -0.17 0.01 -0.00 -0.04 1.68 1.47 2dymE1 LYS 191 HE2 -0.08 -0.10 -0.02 -0.04 2.99 2.75 2dymE1 LYS 191 HE3 -0.09 0.06 -0.05 -0.04 2.99 2.87 2dymE1 ILE 192 H -0.25 0.36 -0.37 -0.55 8.25 7.44 2dymE1 ILE 192 HA -0.09 0.09 0.67 -0.75 4.18 4.11 2dymE1 ILE 192 HB -0.08 -0.17 -0.03 -0.04 1.89 1.57 2dymE1 ILE 192 HG12 -0.46 0.19 0.06 -0.04 1.49 1.24 2dymE1 ILE 192 HG13 -0.12 0.05 -0.28 -0.04 1.21 0.82 2dymE1 ILE 192 HG23 -0.26 0.03 -0.09 -0.04 0.93 0.56 2dymE1 ILE 192 HD13 -0.80 -0.04 -0.08 -0.04 0.88 -0.08 2dymE1 SER 193 H -0.03 0.36 -0.40 -0.55 8.46 7.85 2dymE1 SER 193 HA 0.10 0.07 0.93 -0.75 4.49 4.83 2dymE1 SER 193 HB2 0.09 0.01 0.12 -0.04 3.95 4.14 2dymE1 SER 193 HB3 0.19 -0.00 -0.06 -0.04 3.93 4.01 2dymE1 SER 194 H 0.05 0.12 0.09 -0.55 8.46 8.18 2dymE1 SER 194 HA 0.01 0.07 0.51 -0.75 4.49 4.33 2dymE1 SER 194 HB2 -0.00 0.01 0.05 -0.04 3.95 3.97 2dymE1 SER 194 HB3 -0.00 0.07 -0.05 -0.04 3.93 3.91 2dymE1 SER 195 H 0.02 0.15 0.15 -0.55 8.46 8.23 2dymE1 SER 195 HA 0.14 0.14 0.43 -0.75 4.49 4.45 2dymE1 SER 195 HB2 0.02 -0.04 0.08 -0.04 3.95 3.97 2dymE1 SER 195 HB3 0.07 -0.03 0.16 -0.04 3.93 4.09 2dymE1 ARG 196 H -0.03 0.01 -0.79 -0.55 8.46 7.08 2dymE1 ARG 196 HA -0.22 0.16 0.72 -0.75 4.34 4.25 2dymE1 PRO 197 HA -0.07 0.29 0.60 -0.51 4.44 4.74 2dymE1 PRO 197 HB2 -0.11 0.15 -0.02 -0.04 2.28 2.25 2dymE1 PRO 197 HB3 -0.04 0.04 0.14 -0.04 2.02 2.12 2dymE1 PRO 197 HG2 -0.21 -0.03 -0.04 -0.04 2.03 1.71 2dymE1 PRO 197 HG3 0.02 -0.01 -0.01 -0.04 2.03 1.98 2dymE1 PRO 197 HD2 -0.51 0.08 0.02 -0.04 3.68 3.22 2dymE1 PRO 197 HD3 -0.11 0.21 -0.14 -0.04 3.65 3.57 2dymE1 ARG 198 H -0.07 0.51 0.43 -0.55 8.46 8.78 2dymE1 ARG 198 HA -0.15 0.00 0.70 -0.75 4.34 4.14 2dymE1 ARG 198 HB2 0.13 0.12 0.06 -0.04 1.90 2.17 2dymE1 ARG 198 HB3 -0.04 -0.13 0.10 -0.04 1.80 1.69 2dymE1 ARG 198 HG2 -0.07 0.09 0.12 -0.04 1.67 1.77 2dymE1 ARG 198 HG3 -0.07 -0.04 -0.36 -0.04 1.67 1.16 2dymE1 ARG 198 HD2 -0.06 -0.10 0.01 -0.04 3.22 3.03 2dymE1 ARG 198 HD3 -0.06 0.04 -0.01 -0.04 3.22 3.15 2dymE1 HIS 199 H -0.02 0.35 0.33 -0.55 8.41 8.54 2dymE1 HIS 199 HA -0.08 0.21 0.85 -0.75 4.63 4.86 2dymE1 HIS 199 HB2 -0.12 0.16 0.02 -0.04 3.26 3.29 2dymE1 HIS 199 HB3 -0.08 -0.06 0.03 -0.04 3.20 3.05 2dymE1 HIS 199 HD2 -0.04 -0.11 -0.32 -0.04 6.97 6.46 2dymE1 HIS 199 HE1 -0.08 -0.03 -0.04 -0.04 7.75 7.55 2dymE1 ILE 200 H 0.00 0.36 0.20 -0.55 8.25 8.26 2dymE1 ILE 200 HA -0.30 0.25 0.90 -0.75 4.18 4.28 2dymE1 ILE 200 HB -0.03 -0.03 0.06 -0.04 1.89 1.85 2dymE1 ILE 200 HG12 -0.04 0.03 -0.25 -0.04 1.49 1.19 2dymE1 ILE 200 HG13 0.02 -0.10 -0.21 -0.04 1.21 0.87 2dymE1 ILE 200 HG23 -0.09 -0.01 -0.35 -0.04 0.93 0.44 2dymE1 ILE 200 HD13 -0.06 0.04 -0.19 -0.04 0.88 0.63 2dymE1 PRO 201 HA -0.03 0.08 0.47 -0.51 4.44 4.45 2dymE1 PRO 201 HB2 -0.29 -0.00 0.28 -0.04 2.28 2.22 2dymE1 PRO 201 HB3 -0.61 -0.00 0.07 -0.04 2.02 1.43 2dymE1 PRO 201 HG2 -0.35 0.11 0.13 -0.04 2.03 1.88 2dymE1 PRO 201 HG3 -0.30 0.02 0.04 -0.04 2.03 1.74 2dymE1 PRO 201 HD2 -1.13 0.08 0.16 -0.04 3.68 2.74 2dymE1 PRO 201 HD3 -0.56 0.25 0.25 -0.04 3.65 3.55 2dymE1 LEU 202 H 0.05 0.41 0.28 -0.55 8.37 8.55 2dymE1 LEU 202 HA 0.05 0.23 1.10 -0.75 4.35 4.97 2dymE1 LEU 202 HB2 0.04 -0.08 -0.20 -0.04 1.64 1.36 2dymE1 LEU 202 HB3 0.03 0.07 0.06 -0.04 1.64 1.76 2dymE1 LEU 202 HG 0.02 0.04 -0.45 -0.04 1.64 1.22 2dymE1 LEU 202 HD13 0.03 0.02 -0.16 -0.04 0.93 0.78 2dymE1 LEU 202 HD23 0.03 -0.02 -0.16 -0.04 0.89 0.70 2dymE1 ILE 203 H -0.08 0.73 0.38 -0.55 8.25 8.72 2dymE1 ILE 203 HA -0.04 0.36 1.16 -0.75 4.18 4.91 2dymE1 ILE 203 HB -0.45 -0.06 0.10 -0.04 1.89 1.44 2dymE1 ILE 203 HG12 -0.20 0.10 -0.11 -0.04 1.49 1.24 2dymE1 ILE 203 HG13 -0.29 -0.08 -0.35 -0.04 1.21 0.45 2dymE1 ILE 203 HG23 0.10 -0.00 -0.15 -0.04 0.93 0.84 2dymE1 ILE 203 HD13 -0.67 -0.02 -0.11 -0.04 0.88 0.03 2dymE1 ILE 204 H 0.01 0.76 0.40 -0.55 8.25 8.88 2dymE1 ILE 204 HA 0.03 0.20 1.11 -0.75 4.18 4.77 2dymE1 ILE 204 HB 0.02 -0.04 0.18 -0.04 1.89 2.01 2dymE1 ILE 204 HG12 0.04 0.01 -0.05 -0.04 1.49 1.45 2dymE1 ILE 204 HG13 0.02 -0.03 -0.15 -0.04 1.21 1.01 2dymE1 ILE 204 HG23 0.03 0.03 -0.09 -0.04 0.93 0.86 2dymE1 ILE 204 HD13 0.02 -0.08 -0.24 -0.04 0.88 0.55 2dymE1 GLN 205 H 0.02 0.64 0.48 -0.55 8.47 9.07 2dymE1 GLN 205 HA -0.01 0.38 1.24 -0.75 4.36 5.22 2dymE1 GLN 205 HB2 -0.01 -0.07 0.08 -0.04 2.15 2.10 2dymE1 GLN 205 HB3 -0.06 0.26 0.09 -0.04 2.02 2.26 2dymE1 GLN 205 HG2 -0.07 0.05 -0.00 -0.04 2.40 2.34 2dymE1 GLN 205 HG3 0.03 -0.11 -0.28 -0.04 2.39 1.99 2dymE1 GLN 205 HE21 -0.72 -0.07 -0.12 -0.04 6.97 6.02 2dymE1 GLN 205 HE22 -0.40 -0.01 -0.09 -0.04 7.69 7.15 2dymE1 THR 206 H -0.03 0.50 0.36 -0.55 8.28 8.56 2dymE1 THR 206 HA -0.01 0.08 0.93 -0.75 4.39 4.64 2dymE1 THR 206 HB -0.01 -0.06 0.19 -0.04 4.32 4.39 2dymE1 THR 206 HG23 0.00 -0.02 -0.01 -0.04 1.22 1.15 2dymE1 SER 207 H -0.03 0.12 0.26 -0.55 8.46 8.25 2dymE1 SER 207 HA -0.08 0.04 0.69 -0.75 4.49 4.38 2dymE1 SER 207 HB2 -0.06 -0.01 0.16 -0.04 3.95 3.99 2dymE1 SER 207 HB3 -0.04 -0.12 0.15 -0.04 3.93 3.88 2dymE1 ARG 208 H -0.10 0.31 0.11 -0.55 8.46 8.22 2dymE1 ARG 208 HA -0.05 0.09 0.37 -0.75 4.34 4.00 2dymE1 ARG 208 HB2 -0.11 -0.02 0.06 -0.04 1.90 1.80 2dymE1 ARG 208 HB3 -0.04 -0.03 -0.05 -0.04 1.80 1.64 2dymE1 ARG 208 HG2 -0.07 0.01 -0.08 -0.04 1.67 1.49 2dymE1 ARG 208 HG3 -0.11 0.05 -0.12 -0.04 1.67 1.44 2dymE1 ARG 208 HD2 -0.12 -0.02 -0.06 -0.04 3.22 2.98 2dymE1 ARG 208 HD3 -0.05 0.00 -0.04 -0.04 3.22 3.09 2dymE1 THR 209 H -0.08 0.23 0.09 -0.55 8.28 7.97 2dymE1 THR 209 HA 0.01 0.13 0.46 -0.75 4.39 4.23 2dymE1 ARG 214 HA -0.01 -0.10 0.25 -0.75 4.34 3.73 2dymE1 ARG 214 HB2 -0.01 -0.02 0.06 -0.04 1.90 1.90 2dymE1 ARG 214 HB3 -0.00 -0.02 0.02 -0.04 1.80 1.75 2dymE1 ARG 214 HG2 0.00 0.04 -0.15 -0.04 1.67 1.52 2dymE1 ARG 214 HG3 -0.00 -0.04 0.02 -0.04 1.67 1.60 2dymE1 ARG 214 HD2 0.00 -0.02 -0.03 -0.04 3.22 3.14 2dymE1 ARG 214 HD3 0.01 0.05 -0.10 -0.04 3.22 3.14 2dymE1 ILE 215 H -0.01 0.13 0.15 -0.55 8.25 7.98 2dymE1 ILE 215 HA -0.00 0.41 1.19 -0.75 4.18 5.02 2dymE1 ILE 215 HB 0.01 -0.08 0.08 -0.04 1.89 1.86 2dymE1 ILE 215 HG12 -0.06 0.09 -0.09 -0.04 1.49 1.38 2dymE1 ILE 215 HG13 -0.04 -0.04 -0.38 -0.04 1.21 0.71 2dymE1 ILE 215 HG23 0.04 -0.01 -0.15 -0.04 0.93 0.77 2dymE1 ILE 215 HD13 -0.08 -0.02 -0.07 -0.04 0.88 0.67 2dymE1 SER 216 H 0.01 0.80 0.43 -0.55 8.46 9.16 2dymE1 SER 216 HA 0.01 0.12 1.00 -0.75 4.49 4.86 2dymE1 SER 216 HB2 0.01 0.01 -0.10 -0.04 3.95 3.83 2dymE1 SER 216 HB3 0.02 0.07 0.12 -0.04 3.93 4.09 2dymE1 GLN 217 H 0.01 0.13 0.06 -0.55 8.47 8.12 2dymE1 GLN 217 HA 0.00 0.45 1.02 -0.75 4.36 5.08 2dymE1 GLN 217 HB2 -0.04 -0.02 -0.06 -0.04 2.15 1.99 2dymE1 GLN 217 HB3 -0.00 -0.08 0.17 -0.04 2.02 2.07 2dymE1 GLN 217 HG2 0.04 -0.04 0.02 -0.04 2.40 2.37 2dymE1 GLN 217 HG3 0.04 0.19 0.04 -0.04 2.39 2.63 2dymE1 GLN 217 HE21 0.16 -0.04 -0.05 -0.04 6.97 6.99 2dymE1 GLN 217 HE22 0.17 0.01 -0.05 -0.04 7.69 7.78 2dymE1 PRO 218 HA 0.02 -0.02 0.49 -0.51 4.44 4.43 2dymE1 PRO 218 HB2 0.03 -0.02 -0.12 -0.04 2.28 2.13 2dymE1 PRO 218 HB3 0.03 0.00 0.06 -0.04 2.02 2.07 2dymE1 PRO 218 HG2 0.03 0.12 -0.05 -0.04 2.03 2.09 2dymE1 PRO 218 HG3 0.03 0.04 0.02 -0.04 2.03 2.07 2dymE1 PRO 218 HD2 0.02 0.17 0.06 -0.04 3.68 3.88 2dymE1 PRO 218 HD3 0.02 0.10 -0.48 -0.04 3.65 3.24 2dymE1 THR 219 H 0.03 0.10 0.18 -0.55 8.28 8.04 2dymE1 THR 219 HA 0.05 0.16 0.71 -0.75 4.39 4.55 2dymE1 THR 219 HB 0.05 -0.00 0.04 -0.04 4.32 4.36 2dymE1 THR 219 HG23 0.00 0.01 0.05 -0.04 1.22 1.24 2dymE1 ILE 220 H 0.09 0.28 0.15 -0.55 8.25 8.21 2dymE1 ILE 220 HA 0.04 0.15 0.95 -0.75 4.18 4.56 2dymE1 ILE 220 HB 0.02 -0.03 0.16 -0.04 1.89 2.00 2dymE1 ILE 220 HG12 0.04 -0.03 -0.11 -0.04 1.49 1.34 2dymE1 ILE 220 HG13 0.04 0.03 -0.19 -0.04 1.21 1.04 2dymE1 ILE 220 HG23 0.01 0.00 -0.19 -0.04 0.93 0.71 2dymE1 ILE 220 HD13 0.04 -0.05 -0.47 -0.04 0.88 0.35 2dymE1 SER 221 H -0.01 0.14 0.08 -0.55 8.46 8.12 2dymE1 SER 221 HA -0.62 0.24 0.73 -0.75 4.49 4.09 2dymE1 SER 221 HB2 -0.13 -0.01 0.10 -0.04 3.95 3.87 2dymE1 SER 221 HB3 -0.10 -0.01 0.10 -0.04 3.93 3.89 2dymE1 MET 222 H -0.32 0.75 0.30 -0.55 8.47 8.65 2dymE1 MET 222 HA -0.09 0.12 0.76 -0.75 4.52 4.55 2dymE1 MET 222 HB2 -0.16 0.22 -0.23 -0.04 2.15 1.94 2dymE1 MET 222 HB3 -0.13 -0.02 0.06 -0.04 2.03 1.90 2dymE1 MET 222 HG2 -0.10 0.02 -0.44 -0.04 2.63 2.07 2dymE1 MET 222 HG3 -0.08 0.00 -0.29 -0.04 2.56 2.15 2dymE1 MET 222 HE3 -0.01 0.02 0.04 -0.04 2.10 2.11 2dymE1 THR 223 H -0.19 0.05 0.07 -0.55 8.28 7.65 2dymE1 THR 223 HA -0.10 0.04 0.45 -0.75 4.39 4.03 2dymE1 THR 223 HB -0.10 -0.02 0.12 -0.04 4.32 4.28 2dymE1 THR 223 HG23 -0.06 -0.00 -0.08 -0.04 1.22 1.03 2dymE1 GLY 224 H -0.07 0.13 0.24 -0.55 8.43 8.19 2dymE1 GLY 224 HA2 -0.04 -0.02 0.35 -0.51 4.01 3.78 2dymE1 GLY 224 HA3 -0.04 -0.01 0.38 -0.51 4.01 3.83 2dymE1 VAL 225 H -0.06 0.57 -0.22 -0.55 8.24 7.99 2dymE1 VAL 225 HA -0.02 0.03 0.59 -0.75 4.13 3.98 2dymE1 VAL 225 HB -0.03 0.11 -0.30 -0.04 2.12 1.86 2dymE1 VAL 225 HG13 -0.05 0.00 -0.40 -0.04 0.97 0.48 2dymE1 VAL 225 HG23 -0.00 -0.03 -0.03 -0.04 0.95 0.84 2dymE1 ASN 226 H 0.00 0.12 -0.05 -0.55 8.53 8.05 2dymE1 ASN 226 HA 0.02 0.17 0.69 -0.75 4.76 4.88 2dymE1 ASN 226 HB2 0.00 0.06 -0.12 -0.04 2.88 2.78 2dymE1 ASN 226 HB3 0.02 -0.04 0.15 -0.04 2.79 2.88 2dymE1 ASN 226 HD21 0.07 -0.04 0.02 -0.04 7.03 7.03 2dymE1 ASN 226 HD22 0.04 -0.00 0.02 -0.04 7.74 7.76 2dymE1 PRO 227 HA 0.04 0.01 0.46 -0.51 4.44 4.44 2dymE1 PRO 227 HB2 0.05 0.01 -0.08 -0.04 2.28 2.21 2dymE1 PRO 227 HB3 0.04 0.03 0.04 -0.04 2.02 2.09 2dymE1 PRO 227 HG2 0.01 0.16 -0.04 -0.04 2.03 2.12 2dymE1 PRO 227 HG3 0.01 0.04 -0.01 -0.04 2.03 2.03 2dymE1 PRO 227 HD2 0.03 0.06 0.02 -0.04 3.68 3.75 2dymE1 PRO 227 HD3 -0.00 0.18 -0.44 -0.04 3.65 3.35 2dymE1 THR 228 H 0.07 0.07 0.22 -0.55 8.28 8.09 2dymE1 THR 228 HA 0.08 0.18 0.69 -0.75 4.39 4.58 2dymE1 THR 228 HB 0.08 0.04 0.06 -0.04 4.32 4.47 2dymE1 THR 228 HG23 0.13 -0.14 -0.01 -0.04 1.22 1.15 2dymE1 LEU 229 H 0.10 0.58 0.13 -0.55 8.37 8.63 2dymE1 LEU 229 HA 0.12 0.06 0.36 -0.75 4.35 4.13 2dymE1 LEU 229 HB2 0.02 0.08 0.13 -0.04 1.64 1.83 2dymE1 LEU 229 HB3 0.16 -0.01 0.01 -0.04 1.64 1.76 2dymE1 LEU 229 HG -0.15 -0.00 -0.08 -0.04 1.64 1.36 2dymE1 LEU 229 HD13 -0.01 0.00 -0.17 -0.04 0.93 0.71 2dymE1 LEU 229 HD23 -0.34 0.01 -0.13 -0.04 0.89 0.39 2dymE1 LYS 230 H 0.29 0.44 0.07 -0.55 8.42 8.67 2dymE1 LYS 230 HA 0.23 0.06 0.38 -0.75 4.32 4.24 2dymE1 LYS 230 HB2 0.22 0.11 0.04 -0.04 1.87 2.20 2dymE1 LYS 230 HB3 0.10 -0.03 -0.04 -0.04 1.79 1.79 2dymE1 LYS 230 HG2 -0.08 0.01 0.02 -0.04 1.46 1.37 2dymE1 LYS 230 HG3 0.02 -0.01 -0.03 -0.04 1.46 1.40 2dymE1 LYS 230 HD2 -0.03 -0.00 -0.10 -0.04 1.69 1.52 2dymE1 LYS 230 HD3 -0.09 -0.03 0.08 -0.04 1.68 1.61 2dymE1 LYS 230 HE2 -0.15 0.00 -0.00 -0.04 2.99 2.80 2dymE1 LYS 230 HE3 -0.33 0.02 0.02 -0.04 2.99 2.66 2dymE1 ASP 231 H 0.12 -0.00 -0.39 -0.55 8.40 7.58 2dymE1 ASP 231 HA 0.05 0.05 0.37 -0.75 4.63 4.34 2dymE1 ASP 231 HB2 0.07 0.13 0.18 -0.04 2.71 3.06 2dymE1 ASP 231 HB3 0.04 0.06 0.06 -0.04 2.70 2.82 2dymE1 ILE 232 H 0.12 0.41 -0.34 -0.55 8.25 7.89 2dymE1 ILE 232 HA 0.06 0.16 0.90 -0.75 4.18 4.55 2dymE1 ILE 232 HB 0.07 -0.05 0.13 -0.04 1.89 1.99 2dymE1 ILE 232 HG12 0.10 0.11 0.02 -0.04 1.49 1.69 2dymE1 ILE 232 HG13 0.14 0.07 -0.19 -0.04 1.21 1.19 2dymE1 ILE 232 HG23 0.05 -0.00 -0.09 -0.04 0.93 0.85 2dymE1 ILE 232 HD13 0.06 -0.01 -0.12 -0.04 0.88 0.77 2dymE1 GLU 233 H 0.10 0.55 -0.37 -0.55 8.60 8.33 2dymE1 GLU 233 HA 0.29 0.05 0.38 -0.75 4.29 4.26 2dymE1 GLY 234 H 0.03 0.16 -0.29 -0.55 8.43 7.79 2dymE1 GLY 234 HA2 0.02 0.05 0.33 -0.51 4.01 3.89 2dymE1 GLY 234 HA3 0.02 0.04 0.24 -0.51 4.01 3.79 2dymE1 ASP 235 H 0.06 0.19 -0.27 -0.55 8.40 7.82 2dymE1 ASP 235 HA 0.04 0.07 0.43 -0.75 4.63 4.41 2dymE1 ASP 235 HB2 0.06 0.10 0.00 -0.04 2.71 2.83 2dymE1 ASP 235 HB3 0.04 -0.02 0.03 -0.04 2.70 2.71 2dymE1 ILE 236 H 0.10 0.22 -0.41 -0.55 8.25 7.62 2dymE1 ILE 236 HA 0.08 0.10 0.56 -0.75 4.18 4.17 2dymE1 ILE 236 HB 0.27 -0.03 0.13 -0.04 1.89 2.22 2dymE1 ILE 236 HG12 0.08 -0.01 -0.14 -0.04 1.49 1.38 2dymE1 ILE 236 HG13 0.13 0.17 -0.12 -0.04 1.21 1.36 2dymE1 ILE 236 HG23 0.14 -0.01 -0.23 -0.04 0.93 0.79 2dymE1 ILE 236 HD13 0.16 -0.02 -0.15 -0.04 0.88 0.83 2dymE1 LEU 237 H 0.13 0.66 0.08 -0.55 8.37 8.69 2dymE1 LEU 237 HA 0.09 0.11 0.33 -0.75 4.35 4.13 2dymE1 LEU 237 HB2 0.04 0.05 0.05 -0.04 1.64 1.74 2dymE1 LEU 237 HB3 0.04 -0.04 0.07 -0.04 1.64 1.68 2dymE1 LEU 237 HG 0.25 -0.01 0.03 -0.04 1.64 1.87 2dymE1 LEU 237 HD13 -0.10 -0.02 0.05 -0.04 0.93 0.82 2dymE1 LEU 237 HD23 0.20 0.01 -0.06 -0.04 0.89 1.00 2dymE1 ASP 247 HA 0.02 -0.04 0.24 -0.75 4.63 4.10 2dymE1 VAL 248 H 0.15 0.13 0.17 -0.55 8.24 8.14 2dymE1 VAL 248 HA 0.10 0.10 1.00 -0.75 4.13 4.58 2dymE1 MET 249 H 0.08 0.88 0.35 -0.55 8.47 9.22 2dymE1 MET 249 HA 0.09 0.09 0.87 -0.75 4.52 4.82 2dymE1 MET 249 HB2 0.05 -0.04 -0.03 -0.04 2.15 2.09 2dymE1 MET 249 HB3 0.02 0.09 0.07 -0.04 2.03 2.16 2dymE1 MET 249 HG2 -0.03 0.02 -0.34 -0.04 2.63 2.24 2dymE1 MET 249 HG3 -0.02 -0.05 -0.02 -0.04 2.56 2.44 2dymE1 MET 249 HE3 0.00 0.02 -0.13 -0.04 2.10 1.95 2dymE1 VAL 250 H -0.21 0.15 0.17 -0.55 8.24 7.80 2dymE1 VAL 250 HA -0.17 0.22 0.79 -0.75 4.13 4.23 2dymE1 VAL 250 HB -0.54 0.09 0.19 -0.04 2.12 1.81 2dymE1 VAL 250 HG13 -0.27 -0.01 -0.24 -0.04 0.97 0.40 2dymE1 VAL 250 HG23 -0.97 -0.00 -0.11 -0.04 0.95 -0.18 2dymE1 ILE 251 H -0.08 0.71 0.32 -0.55 8.25 8.65 2dymE1 ILE 251 HA -0.06 0.27 0.81 -0.75 4.18 4.45 2dymE1 ILE 251 HB -0.04 0.04 0.09 -0.04 1.89 1.95 2dymE1 ILE 251 HG12 -0.04 0.05 -0.27 -0.04 1.49 1.18 2dymE1 ILE 251 HG13 -0.04 0.05 -0.17 -0.04 1.21 1.02 2dymE1 ILE 251 HG23 -0.02 -0.03 -0.28 -0.04 0.93 0.56 2dymE1 ILE 251 HD13 -0.03 0.01 -0.34 -0.04 0.88 0.48 2dymE1 CYS 252 H -0.03 0.80 0.22 -0.55 8.50 8.94 2dymE1 CYS 252 HA 0.02 0.20 0.82 -0.75 4.58 4.87 2dymE1 CYS 252 HB2 -0.04 -0.01 -0.18 -0.04 2.97 2.70 2dymE1 CYS 252 HB3 -0.03 -0.02 -0.00 -0.04 2.97 2.88 2dymE1 GLN 253 H 0.05 0.21 0.11 -0.55 8.47 8.29 2dymE1 GLN 253 HA 0.04 -0.00 0.29 -0.75 4.36 3.93 2dymE1 GLN 253 HB2 0.02 0.15 -0.15 -0.04 2.15 2.13 2dymE1 GLN 253 HB3 0.02 -0.01 0.22 -0.04 2.02 2.21 2dymE1 GLN 253 HG2 0.06 0.02 -0.00 -0.04 2.40 2.44 2dymE1 GLN 253 HG3 0.04 0.04 0.01 -0.04 2.39 2.44 2dymE1 GLN 253 HE21 0.12 -0.18 -0.06 -0.04 6.97 6.81 2dymE1 GLN 253 HE22 0.11 0.49 -0.18 -0.04 7.69 8.06 2dymE1 GLY 254 H 0.03 0.05 -0.30 -0.55 8.43 7.66 2dymE1 GLY 254 HA2 0.05 0.01 0.21 -0.51 4.01 3.77 2dymE1 GLY 254 HA3 0.05 0.07 0.32 -0.51 4.01 3.93 2dymE1 ILE 255 H 0.00 0.50 -0.50 -0.55 8.25 7.70 2dymE1 ILE 255 HA 0.00 0.19 0.98 -0.75 4.18 4.60 2dymE1 ILE 255 HB -0.01 -0.06 0.08 -0.04 1.89 1.87 2dymE1 ILE 255 HG12 -0.01 0.17 0.00 -0.04 1.49 1.62 2dymE1 ILE 255 HG13 -0.02 -0.03 -0.36 -0.04 1.21 0.76 2dymE1 ILE 255 HG23 0.00 0.03 -0.14 -0.04 0.93 0.78 2dymE1 ILE 255 HD13 -0.01 -0.03 -0.06 -0.04 0.88 0.75 2dymE1 GLU 256 H -0.01 0.09 0.13 -0.55 8.60 8.27 2dymE1 GLU 256 HA -0.06 0.28 0.63 -0.75 4.29 4.39 2dymE1 GLU 256 HB2 -0.02 0.01 0.06 -0.04 2.09 2.10 2dymE1 GLU 256 HB3 -0.02 -0.06 0.11 -0.04 1.99 1.99 2dymE1 GLU 256 HG2 -0.05 -0.04 -0.33 -0.04 2.34 1.87 2dymE1 GLU 256 HG3 -0.05 0.03 0.02 -0.04 2.34 2.30 2dymE1 ILE 257 H -0.15 0.63 0.33 -0.55 8.25 8.51 2dymE1 ILE 257 HA -0.10 0.18 0.95 -0.75 4.18 4.46 2dymE1 ILE 257 HB -0.19 0.01 0.00 -0.04 1.89 1.68 2dymE1 ILE 257 HG12 -0.08 -0.03 -0.11 -0.04 1.49 1.23 2dymE1 ILE 257 HG13 -0.07 -0.04 -0.05 -0.04 1.21 1.01 2dymE1 ILE 257 HG23 -0.17 0.00 -0.16 -0.04 0.93 0.57 2dymE1 ILE 257 HD13 -0.05 0.07 -0.49 -0.04 0.88 0.36 2dymE1 PRO 258 HA -0.12 0.09 0.52 -0.51 4.44 4.42 2dymE1 PRO 258 HB2 -0.65 -0.08 0.02 -0.04 2.28 1.53 2dymE1 PRO 258 HB3 -0.39 0.02 0.10 -0.04 2.02 1.70 2dymE1 PRO 258 HG2 -0.10 0.04 0.05 -0.04 2.03 1.98 2dymE1 PRO 258 HG3 -0.06 0.09 0.02 -0.04 2.03 2.03 2dymE1 PRO 258 HD2 -0.14 0.06 0.19 -0.04 3.68 3.75 2dymE1 PRO 258 HD3 -0.09 0.31 0.18 -0.04 3.65 4.02 2dymE1 TRP 259 H 0.17 0.19 0.20 -0.55 7.97 7.98 2dymE1 TRP 259 HA -0.03 0.18 0.45 -0.75 4.62 4.46 2dymE1 TRP 259 HB2 0.03 0.00 0.15 -0.04 3.23 3.37 2dymE1 TRP 259 HB3 0.03 -0.06 0.05 -0.04 3.23 3.20 2dymE1 TRP 259 HD1 0.01 -0.02 0.09 -0.04 7.22 7.26 2dymE1 TRP 259 HE1 0.01 0.29 0.12 -0.04 10.20 10.57 2dymE1 TRP 259 HE3 0.01 -0.19 -0.29 -0.04 7.59 7.08 2dymE1 TRP 259 HZ2 0.01 0.06 -0.09 -0.04 7.44 7.38 2dymE1 TRP 259 HZ3 0.01 0.08 -0.15 -0.04 7.13 7.03 2dymE1 TRP 259 HH2 0.01 0.02 -0.07 -0.04 7.19 7.11 2dymE1 HIS 260 H -0.21 0.08 -0.27 -0.55 8.41 7.47 2dymE1 HIS 260 HA 0.13 0.08 0.70 -0.75 4.63 4.78 2dymE1 HIS 260 HB2 0.07 0.03 0.14 -0.04 3.26 3.46 2dymE1 HIS 260 HB3 0.10 0.01 0.04 -0.04 3.20 3.30 2dymE1 HIS 260 HD2 0.10 -0.01 0.03 -0.04 6.97 7.04 2dymE1 HIS 260 HE1 0.03 0.03 -0.04 -0.04 7.75 7.72 2dymE1 MET 261 H -0.12 0.35 -0.46 -0.55 8.47 7.70 2dymE1 MET 261 HA 0.02 0.06 0.52 -0.75 4.52 4.36 2dymE1 MET 261 HB2 -0.12 -0.01 0.05 -0.04 2.15 2.02 2dymE1 MET 261 HB3 -0.10 0.13 0.02 -0.04 2.03 2.05 2dymE1 MET 261 HG2 -0.03 0.04 -0.24 -0.04 2.63 2.36 2dymE1 MET 261 HG3 -0.01 -0.11 0.02 -0.04 2.56 2.42 2dymE1 MET 261 HE3 -0.01 -0.02 -0.12 -0.04 2.10 1.91 2dymE1 LEU 262 H 0.05 0.11 0.17 -0.55 8.37 8.15 2dymE1 LEU 262 HA 0.07 0.16 0.65 -0.75 4.35 4.47 2dymE1 LEU 262 HB2 0.06 -0.08 0.15 -0.04 1.64 1.72 2dymE1 LEU 262 HB3 0.09 0.00 0.02 -0.04 1.64 1.71 2dymE1 LEU 262 HG 0.07 0.01 0.06 -0.04 1.64 1.74 2dymE1 LEU 262 HD13 0.07 -0.00 0.04 -0.04 0.93 0.99 2dymE1 LEU 262 HD23 0.07 0.00 -0.08 -0.04 0.89 0.84 2dymE1 LEU 263 H 0.07 0.68 0.18 -0.55 8.37 8.75 2dymE1 LEU 263 HA 0.05 0.07 0.23 -0.75 4.35 3.94 2dymE1 LEU 263 HB2 0.07 0.08 -0.11 -0.04 1.64 1.63 2dymE1 LEU 263 HB3 0.08 0.02 -0.10 -0.04 1.64 1.61 2dymE1 LEU 263 HG 0.05 0.01 -0.18 -0.04 1.64 1.48 2dymE1 LEU 263 HD13 0.04 0.02 -0.16 -0.04 0.93 0.79 2dymE1 LEU 263 HD23 0.06 -0.00 -0.14 -0.04 0.89 0.77 2dymE1 TYR 264 H 0.19 0.18 -0.11 -0.55 8.29 8.00 2dymE1 TYR 264 HA 0.08 0.13 0.34 -0.75 4.56 4.36 2dymE1 TYR 264 HB2 0.01 0.09 0.05 -0.04 3.06 3.17 2dymE1 TYR 264 HB3 0.03 -0.06 0.03 -0.04 2.98 2.95 2dymE1 TYR 264 HD2 0.04 -0.03 -0.05 -0.04 7.15 7.07 2dymE1 TYR 264 HE2 0.08 0.02 -0.03 -0.04 6.85 6.88 2dymE1 ASP 265 H 0.05 0.06 -0.39 -0.55 8.40 7.58 2dymE1 ASP 265 HA -0.23 0.07 0.40 -0.75 4.63 4.12 2dymE1 ASP 265 HB2 0.03 -0.07 0.08 -0.04 2.71 2.70 2dymE1 ASP 265 HB3 -0.02 0.06 -0.06 -0.04 2.70 2.65 2dymE1 LEU 266 H -0.01 0.50 -0.18 -0.55 8.37 8.13 2dymE1 LEU 266 HA -0.03 -0.00 0.30 -0.75 4.35 3.87 2dymE1 LEU 266 HB2 -0.00 0.10 0.00 -0.04 1.64 1.71 2dymE1 LEU 266 HB3 0.03 0.09 -0.10 -0.04 1.64 1.62 2dymE1 LEU 266 HG -0.05 -0.05 -0.10 -0.04 1.64 1.40 2dymE1 LEU 266 HD13 -0.03 0.00 -0.18 -0.04 0.93 0.68 2dymE1 LEU 266 HD23 -0.02 -0.00 -0.07 -0.04 0.89 0.75 2dymE1 TYR 267 H 0.08 0.52 -0.25 -0.55 8.29 8.08 2dymE1 TYR 267 HA -0.02 0.02 0.33 -0.75 4.56 4.14 2dymE1 TYR 267 HB2 -0.00 -0.02 -0.01 -0.04 3.06 2.99 2dymE1 TYR 267 HB3 -0.05 0.05 0.11 -0.04 2.98 3.05 2dymE1 TYR 267 HD2 -0.01 -0.02 -0.12 -0.04 7.15 6.97 2dymE1 TYR 267 HE2 -0.04 0.06 0.03 -0.04 6.85 6.86 2dymE1 SER 268 H -0.21 0.61 -0.06 -0.55 8.46 8.25 2dymE1 SER 268 HA -0.16 0.06 0.36 -0.75 4.49 3.99 2dymE1 SER 268 HB2 -0.13 -0.06 0.06 -0.04 3.95 3.78 2dymE1 SER 268 HB3 -0.64 0.05 0.11 -0.04 3.93 3.41 2dymE1 LYS 269 H -0.11 0.35 -0.38 -0.55 8.42 7.72 2dymE1 LYS 269 HA -0.01 0.16 0.88 -0.75 4.32 4.60 2dymE1 LYS 269 HB2 -0.03 0.08 0.07 -0.04 1.87 1.94 2dymE1 LYS 269 HB3 0.00 -0.06 -0.03 -0.04 1.79 1.66 2dymE1 LYS 269 HG2 0.01 -0.08 -0.01 -0.04 1.46 1.34 2dymE1 LYS 269 HG3 -0.04 -0.02 -0.14 -0.04 1.46 1.21 2dymE1 LYS 269 HD2 -0.03 0.07 -0.07 -0.04 1.69 1.62 2dymE1 LYS 269 HD3 0.01 -0.04 -0.06 -0.04 1.68 1.54 2dymE1 LYS 269 HE2 0.02 -0.10 -0.05 -0.04 2.99 2.82 2dymE1 LYS 269 HE3 -0.02 0.03 -0.03 -0.04 2.99 2.93 2dymE1 LEU 270 H -0.06 0.62 0.03 -0.55 8.37 8.41 2dymE1 LEU 270 HA 0.03 0.24 1.02 -0.75 4.35 4.88 2dymE1 LEU 270 HB2 -0.00 0.06 0.02 -0.04 1.64 1.67 2dymE1 LEU 270 HB3 0.02 -0.08 0.08 -0.04 1.64 1.62 2dymE1 LEU 270 HG -0.01 -0.04 -0.07 -0.04 1.64 1.48 2dymE1 LEU 270 HD13 -0.01 -0.01 -0.11 -0.04 0.93 0.76 2dymE1 LEU 270 HD23 0.02 0.00 -0.35 -0.04 0.89 0.52 2dymE1 ARG 271 H -0.18 0.34 -0.15 -0.55 8.46 7.92 2dymE1 ARG 271 HA -0.04 -0.11 0.40 -0.75 4.34 3.84 2dymE1 ARG 271 HB2 -0.26 -0.01 -0.33 -0.04 1.90 1.25 2dymE1 ARG 271 HB3 -0.94 0.09 0.03 -0.04 1.80 0.93 2dymE1 ARG 271 HG2 -0.20 0.05 -0.12 -0.04 1.67 1.36 2dymE1 ARG 271 HG3 0.03 -0.02 -0.36 -0.04 1.67 1.28 2dymE1 ARG 271 HD2 -0.20 -0.00 -0.09 -0.04 3.22 2.89 2dymE1 ARG 271 HD3 -0.94 0.01 -0.10 -0.04 3.22 2.15 2dymE1 SER 272 H 0.17 0.77 0.32 -0.55 8.46 9.18 2dymE1 SER 272 HA 0.24 0.18 0.61 -0.75 4.49 4.76 2dymE1 SER 272 HB2 0.40 0.00 0.11 -0.04 3.95 4.42 2dymE1 SER 272 HB3 0.33 -0.17 0.17 -0.04 3.93 4.22 2dymE1 PHE 273 H 0.57 0.12 0.11 -0.55 8.34 8.59 2dymE1 PHE 273 HA 0.65 0.17 0.29 -0.75 4.62 4.97 2dymE1 PHE 273 HB2 0.19 0.05 0.09 -0.04 3.15 3.44 2dymE1 PHE 273 HB3 0.07 0.01 0.10 -0.04 3.06 3.21 2dymE1 PHE 273 HD2 0.16 -0.03 -0.04 -0.04 7.28 7.33 2dymE1 PHE 273 HE2 -0.36 -0.01 -0.13 -0.04 7.38 6.85 2dymE1 PHE 273 HZ -1.44 -0.06 -0.33 -0.04 7.32 5.45 2dymE1 ASP 274 H -0.05 0.03 -0.52 -0.55 8.40 7.32 2dymE1 ASP 274 HA -0.16 0.20 0.76 -0.75 4.63 4.68 2dymE1 ASP 274 HB2 -0.11 0.02 0.12 -0.04 2.71 2.70 2dymE1 ASP 274 HB3 -0.28 -0.02 -0.04 -0.04 2.70 2.31 2dymE1 GLY 275 H -0.16 0.55 -0.28 -0.55 8.43 8.00 2dymE1 GLY 275 HA2 -0.80 0.08 0.24 -0.51 4.01 3.02 2dymE1 GLY 275 HA3 -1.77 0.08 0.54 -0.51 4.01 2.34 2dymE1 PHE 276 H -0.05 -0.06 -0.48 -0.55 8.34 7.21 2dymE1 PHE 276 HA -0.10 0.28 0.76 -0.75 4.62 4.82 2dymE1 PHE 276 HB2 -0.22 -0.12 -0.06 -0.04 3.15 2.71 2dymE1 PHE 276 HB3 -0.72 0.08 -0.16 -0.04 3.06 2.22 2dymE1 PHE 276 HD2 -0.22 0.02 -0.20 -0.04 7.28 6.84 2dymE1 PHE 276 HE2 -0.19 -0.00 -0.06 -0.04 7.38 7.09 2dymE1 PHE 276 HZ -0.15 -0.03 -0.09 -0.04 7.32 7.01 2dymE1 LEU 277 H 0.11 0.69 0.33 -0.55 8.37 8.95 2dymE1 LEU 277 HA 0.08 0.06 0.79 -0.75 4.35 4.53 2dymE1 LEU 277 HB2 0.37 0.07 0.08 -0.04 1.64 2.12 2dymE1 LEU 277 HB3 0.12 -0.06 0.10 -0.04 1.64 1.76 2dymE1 LEU 277 HG 0.08 0.00 -0.18 -0.04 1.64 1.50 2dymE1 LEU 277 HD13 0.09 -0.03 -0.24 -0.04 0.93 0.72 2dymE1 LEU 277 HD23 0.05 0.04 -0.24 -0.04 0.89 0.70 2dymE1 TYR 278 H 0.25 0.19 0.17 -0.55 8.29 8.35 2dymE1 TYR 278 HA 0.06 0.41 1.16 -0.75 4.56 5.44 2dymE1 TYR 278 HB2 0.06 -0.11 0.10 -0.04 3.06 3.07 2dymE1 TYR 278 HB3 0.03 0.09 -0.03 -0.04 2.98 3.03 2dymE1 TYR 278 HD2 0.09 0.05 -0.08 -0.04 7.15 7.17 2dymE1 TYR 278 HE2 0.21 -0.03 -0.08 -0.04 6.85 6.90 2dymE1 ILE 279 H 0.09 0.66 0.43 -0.55 8.25 8.87 2dymE1 ILE 279 HA 0.03 0.31 1.06 -0.75 4.18 4.83 2dymE1 ILE 279 HB -0.06 -0.00 -0.00 -0.04 1.89 1.78 2dymE1 ILE 279 HG12 0.01 0.08 0.02 -0.04 1.49 1.56 2dymE1 ILE 279 HG13 -0.00 -0.01 -0.05 -0.04 1.21 1.10 2dymE1 ILE 279 HG23 -0.02 -0.03 -0.27 -0.04 0.93 0.57 2dymE1 ILE 279 HD13 -0.04 -0.02 -0.15 -0.04 0.88 0.63 2dymE1 THR 280 H -0.02 0.66 0.34 -0.55 8.28 8.72 2dymE1 THR 280 HA -0.01 0.37 1.03 -0.75 4.39 5.03 2dymE1 THR 280 HB -0.04 -0.09 -0.02 -0.04 4.32 4.13 2dymE1 THR 280 HG23 -0.06 0.06 -0.37 -0.04 1.22 0.82 2dymE1 LEU 281 H -0.01 0.71 0.40 -0.55 8.37 8.92 2dymE1 LEU 281 HA -0.00 0.22 0.87 -0.75 4.35 4.68 2dymE1 LEU 281 HB2 0.02 0.08 0.15 -0.04 1.64 1.85 2dymE1 LEU 281 HB3 0.04 -0.06 -0.08 -0.04 1.64 1.50 2dymE1 LEU 281 HG 0.10 -0.07 -0.16 -0.04 1.64 1.46 2dymE1 LEU 281 HD13 0.00 0.02 -0.27 -0.04 0.93 0.64 2dymE1 LEU 281 HD23 0.07 0.01 -0.17 -0.04 0.89 0.76 2dymE1 VAL 282 H 0.01 0.48 0.31 -0.55 8.24 8.49 2dymE1 VAL 282 HA -0.00 0.22 0.88 -0.75 4.13 4.47 2dymE1 VAL 282 HB -0.02 0.07 -0.01 -0.04 2.12 2.13 2dymE1 VAL 282 HG13 -0.04 0.02 -0.30 -0.04 0.97 0.61 2dymE1 VAL 282 HG23 -0.01 -0.00 -0.12 -0.04 0.95 0.78 2dymE1 PRO 283 HA 0.04 0.08 0.64 -0.51 4.44 4.69 2dymE1 PRO 283 HB2 0.01 -0.00 0.05 -0.04 2.28 2.30 2dymE1 PRO 283 HB3 0.02 0.03 0.10 -0.04 2.02 2.12 2dymE1 PRO 283 HG2 0.00 0.03 0.18 -0.04 2.03 2.20 2dymE1 PRO 283 HG3 0.00 0.05 0.10 -0.04 2.03 2.14 2dymE1 PRO 283 HD2 -0.01 0.15 0.23 -0.04 3.68 4.02 2dymE1 PRO 283 HD3 0.00 0.15 0.16 -0.04 3.65 3.93 2dymE1 ILE 284 H 0.05 0.33 0.21 -0.55 8.25 8.29 2dymE1 ILE 284 HA 0.03 0.07 0.14 -0.75 4.18 3.66