============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. PHE 7 1.000 -3.329 -16.330 2.645 -99.200 -91.000 PHE 28 1.000 -1.841 -18.129 -6.344 -99.200 -91.000 TYR 32 0.840 -5.137 -21.004 -1.258 -99.200 -91.000 PHE 36 1.000 -6.697 -21.311 -7.465 -99.200 -91.000 TYR 39 0.840 -10.686 -11.649 -3.641 -99.200 -91.000 HIS 49 0.900 -4.563 -26.620 -11.686 -99.200 -91.000 TYR 51 0.840 -11.095 -34.243 -17.493 -99.200 -91.000 PHE 65 1.000 -19.100 -22.934 -13.165 -99.200 -91.000 PHE 85 1.000 -13.842 -11.227 -25.730 -99.200 -91.000 TRP 91 1.040 -22.874 -17.067 -26.443 -99.200 -91.000 TRP6 91 1.020 -23.811 -18.581 -24.883 -99.200 -91.000 PHE 97 1.000 -26.047 -16.643 -39.452 -99.200 -91.000 PHE 105 1.000 -20.169 -29.833 -48.893 -99.200 -91.000 PHE 139 1.000 3.316 -11.392 -45.167 -99.200 -91.000 PHE 154 1.000 -14.805 -10.182 -46.132 -99.200 -91.000 HIS 155 0.900 -17.789 -17.263 -53.025 -99.200 -91.000 PHE 158 1.000 -9.042 -9.543 -49.732 -99.200 -91.000 TYR 160 0.840 -0.459 -15.638 -49.334 -99.200 -91.000 PHE 165 1.000 -4.992 -10.874 -46.816 -99.200 -91.000 HIS 173 0.900 0.330 -9.379 -34.635 -99.200 -91.000 TYR 185 0.840 -6.970 8.027 -18.150 -99.200 -91.000 PHE 186 1.000 1.019 2.986 -19.633 -99.200 -91.000 HIS 190 0.900 -9.621 4.630 -26.370 -99.200 -91.000 TYR 199 0.840 -8.145 -1.020 -43.171 -99.200 -91.000 PHE 203 1.000 -10.994 -5.842 -46.153 -99.200 -91.000 HIS 211 0.900 -20.400 -10.632 -49.988 -99.200 -91.000 PHE 223 1.000 -20.824 -15.382 -40.240 -99.200 -91.000 PHE 227 1.000 -25.768 -11.432 -39.265 -99.200 -91.000 PHE 239 1.000 -29.693 -8.765 -41.067 -99.200 -91.000 PHE 252 1.000 -11.781 -11.357 -41.536 -99.200 -91.000 TYR 265 0.840 5.014 -23.164 -30.094 -99.200 -91.000 HIS 273 0.900 11.383 -32.894 -30.634 -99.200 -91.000 HIS 291 0.900 2.149 -38.186 -58.863 -99.200 -91.000 TYR 304 0.840 4.091 -40.207 -36.534 -99.200 -91.000 HIS 310 0.900 -6.011 -35.002 -32.177 -99.200 -91.000 PHE 315 1.000 5.778 -29.316 -26.136 -99.200 -91.000 HIS 325 0.900 -15.946 -19.948 -20.074 -99.200 -91.000 PHE 333 1.000 -17.466 -26.423 -9.407 -99.200 -91.000 TYR 336 0.840 -15.388 -24.648 -2.466 -99.200 -91.000 PHE 337 1.000 -23.702 -18.362 -3.064 -99.200 -91.000 HIS 353 0.900 1.408 -28.870 -20.982 -99.200 -91.000 PHE 358 1.000 -3.021 -35.929 -22.905 -99.200 -91.000 PHE 364 1.000 5.636 -32.599 -30.806 -99.200 -91.000 HIS 368 0.900 2.611 -37.585 -24.439 -99.200 -91.000 PHE 369 1.000 -3.356 -36.661 -28.423 -99.200 -91.000 PHE 376 1.000 -5.053 -48.908 -35.637 -99.200 -91.000 TYR 381 0.840 -7.576 -35.967 -18.512 -99.200 -91.000 PHE 382 1.000 -6.842 -32.441 -28.965 -99.200 -91.000 PHE 385 1.000 -9.764 -26.510 -31.698 -99.200 -91.000 PHE 403 1.000 -5.129 -34.163 -42.806 -99.200 -91.000 PHE 405 1.000 -3.883 -23.461 -44.362 -99.200 -91.000 PHE 413 1.000 7.569 -26.073 -50.003 -99.200 -91.000 PHE 433 1.000 -6.777 -13.259 -23.273 -99.200 -91.000 TYR 440 0.840 10.143 -21.054 -36.819 -99.200 -91.000 PHE 444 1.000 8.851 -23.095 -45.214 -99.200 -91.000 HIS 448 0.900 8.789 -32.060 -58.459 -99.200 -91.000 HIS 449 0.900 12.770 -40.097 -57.312 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1dt6A1 PRO 30 HA 0.16 -0.11 0.23 -0.51 4.44 4.21 1dt6A1 PRO 30 HB2 0.14 0.09 -0.06 -0.04 2.28 2.40 1dt6A1 PRO 30 HB3 0.09 -0.12 0.04 -0.04 2.02 1.99 1dt6A1 PRO 30 HG2 0.09 0.08 0.08 -0.04 2.03 2.24 1dt6A1 PRO 30 HG3 0.04 -0.11 0.03 -0.04 2.03 1.95 1dt6A1 PRO 30 HD2 0.02 -0.02 0.06 -0.04 3.68 3.71 1dt6A1 PRO 30 HD3 -0.00 -0.11 0.04 -0.04 3.65 3.53 1dt6A1 PRO 31 HA 0.18 0.11 0.39 -0.51 4.44 4.61 1dt6A1 PRO 31 HB2 0.02 -0.01 0.03 -0.04 2.28 2.28 1dt6A1 PRO 31 HB3 0.06 -0.02 0.09 -0.04 2.02 2.12 1dt6A1 PRO 31 HG2 0.12 0.11 -0.10 -0.04 2.03 2.12 1dt6A1 PRO 31 HG3 0.11 -0.04 0.01 -0.04 2.03 2.06 1dt6A1 PRO 31 HD2 0.15 0.03 0.13 -0.04 3.68 3.95 1dt6A1 PRO 31 HD3 0.17 0.08 0.12 -0.04 3.65 3.98 1dt6A1 GLY 32 H -0.09 -0.03 -0.01 -0.55 8.43 7.76 1dt6A1 GLY 32 HA2 -0.15 0.12 0.34 -0.51 4.01 3.82 1dt6A1 GLY 32 HA3 -0.28 -0.05 0.11 -0.51 4.01 3.28 1dt6A1 PRO 33 HA 0.17 0.06 0.41 -0.51 4.44 4.57 1dt6A1 PRO 33 HB2 0.47 0.00 0.14 -0.04 2.28 2.85 1dt6A1 PRO 33 HB3 0.33 -0.04 0.22 -0.04 2.02 2.48 1dt6A1 PRO 33 HG2 0.25 0.07 0.17 -0.04 2.03 2.48 1dt6A1 PRO 33 HG3 0.24 0.03 0.15 -0.04 2.03 2.41 1dt6A1 PRO 33 HD2 0.22 0.28 0.31 -0.04 3.68 4.46 1dt6A1 PRO 33 HD3 0.59 0.16 0.24 -0.04 3.65 4.60 1dt6A1 THR 34 H 0.13 0.15 0.24 -0.55 8.28 8.25 1dt6A1 THR 34 HA -0.83 0.10 0.59 -0.75 4.39 3.50 1dt6A1 THR 34 HB -0.11 0.21 -0.13 -0.04 4.32 4.26 1dt6A1 THR 34 HG23 0.06 -0.07 -0.15 -0.04 1.22 1.03 1dt6A1 PRO 35 HA -1.03 0.09 0.57 -0.51 4.44 3.56 1dt6A1 PRO 35 HB2 -0.67 -0.01 0.23 -0.04 2.28 1.79 1dt6A1 PRO 35 HB3 -0.60 0.04 0.16 -0.04 2.02 1.57 1dt6A1 PRO 35 HG2 -2.74 0.02 0.07 -0.04 2.03 -0.66 1dt6A1 PRO 35 HG3 -1.56 0.02 0.02 -0.04 2.03 0.47 1dt6A1 PRO 35 HD2 -0.75 0.10 0.24 -0.04 3.68 3.24 1dt6A1 PRO 35 HD3 -1.28 0.13 0.18 -0.04 3.65 2.64 1dt6A1 PHE 36 H -0.98 0.48 -0.10 -0.55 8.34 7.19 1dt6A1 PHE 36 HA -0.01 -0.02 0.32 -0.75 4.62 4.17 1dt6A1 PHE 36 HB2 -0.00 0.09 0.09 -0.04 3.15 3.28 1dt6A1 PHE 36 HB3 0.00 -0.03 0.09 -0.04 3.06 3.09 1dt6A1 PHE 36 HD2 0.04 0.03 -0.01 -0.04 7.28 7.30 1dt6A1 PHE 36 HE2 0.08 -0.02 0.04 -0.04 7.38 7.44 1dt6A1 PHE 36 HZ 0.08 -0.02 0.04 -0.04 7.32 7.38 1dt6A1 PRO 37 HA 0.02 0.07 0.49 -0.51 4.44 4.51 1dt6A1 PRO 37 HB2 -0.17 -0.19 0.16 -0.04 2.28 2.03 1dt6A1 PRO 37 HB3 -0.21 -0.02 0.06 -0.04 2.02 1.80 1dt6A1 PRO 37 HG2 -0.15 0.05 -0.10 -0.04 2.03 1.79 1dt6A1 PRO 37 HG3 -0.57 0.04 -0.03 -0.04 2.03 1.43 1dt6A1 PRO 37 HD2 0.02 0.07 0.11 -0.04 3.68 3.84 1dt6A1 PRO 37 HD3 0.00 0.10 -0.02 -0.04 3.65 3.69 1dt6A1 ILE 38 H -0.03 -0.06 0.32 -0.55 8.25 7.92 1dt6A1 ILE 38 HA 0.00 0.21 0.90 -0.75 4.18 4.54 1dt6A1 ILE 38 HB 0.01 0.03 0.03 -0.04 1.89 1.92 1dt6A1 ILE 38 HG12 0.04 0.07 0.05 -0.04 1.49 1.61 1dt6A1 ILE 38 HG13 0.04 0.03 -0.54 -0.04 1.21 0.71 1dt6A1 ILE 38 HG23 0.01 -0.00 -0.09 -0.04 0.93 0.80 1dt6A1 ILE 38 HD13 0.04 -0.04 -0.05 -0.04 0.88 0.78 1dt6A1 ILE 39 H -0.03 -0.13 0.22 -0.55 8.25 7.76 1dt6A1 ILE 39 HA -0.04 -0.01 0.39 -0.75 4.18 3.76 1dt6A1 ILE 39 HB -0.02 -0.04 0.13 -0.04 1.89 1.92 1dt6A1 ILE 39 HG12 -0.01 0.47 -0.13 -0.04 1.49 1.78 1dt6A1 ILE 39 HG13 -0.01 -0.09 0.08 -0.04 1.21 1.16 1dt6A1 ILE 39 HG23 -0.03 0.04 0.01 -0.04 0.93 0.92 1dt6A1 ILE 39 HD13 -0.01 -0.03 0.06 -0.04 0.88 0.86 1dt6A1 GLY 40 H -0.02 0.17 0.20 -0.55 8.43 8.23 1dt6A1 GLY 40 HA2 -0.00 0.00 0.27 -0.51 4.01 3.77 1dt6A1 GLY 40 HA3 -0.01 0.22 0.79 -0.51 4.01 4.50 1dt6A1 ASN 41 H -0.00 -0.16 0.08 -0.55 8.53 7.90 1dt6A1 ASN 41 HA 0.04 0.09 0.46 -0.75 4.76 4.60 1dt6A1 ASN 41 HB2 0.02 -0.21 0.04 -0.04 2.88 2.69 1dt6A1 ASN 41 HB3 0.01 0.17 0.38 -0.04 2.79 3.32 1dt6A1 ASN 41 HD21 0.00 -0.00 -0.15 -0.04 7.03 6.84 1dt6A1 ASN 41 HD22 0.00 0.05 -0.03 -0.04 7.74 7.72 1dt6A1 ILE 42 H 0.06 0.15 0.36 -0.55 8.25 8.27 1dt6A1 ILE 42 HA 0.05 0.25 0.77 -0.75 4.18 4.50 1dt6A1 ILE 42 HB 0.15 -0.02 0.09 -0.04 1.89 2.07 1dt6A1 ILE 42 HG12 -0.00 -0.02 0.18 -0.04 1.49 1.61 1dt6A1 ILE 42 HG13 0.03 0.21 0.04 -0.04 1.21 1.44 1dt6A1 ILE 42 HG23 0.06 -0.03 -0.22 -0.04 0.93 0.71 1dt6A1 ILE 42 HD13 -0.05 -0.00 -0.03 -0.04 0.88 0.75 1dt6A1 LEU 43 H 0.04 0.00 0.19 -0.55 8.37 8.06 1dt6A1 LEU 43 HA 0.05 0.07 0.32 -0.75 4.35 4.04 1dt6A1 LEU 43 HB2 0.02 0.05 -0.08 -0.04 1.64 1.58 1dt6A1 LEU 43 HB3 0.02 0.07 0.10 -0.04 1.64 1.79 1dt6A1 LEU 43 HG 0.01 0.05 0.04 -0.04 1.64 1.69 1dt6A1 LEU 43 HD13 0.03 -0.01 0.15 -0.04 0.93 1.05 1dt6A1 LEU 43 HD23 -0.00 0.03 0.01 -0.04 0.89 0.88 1dt6A1 GLN 44 H 0.06 -0.23 -1.52 -0.55 8.47 6.23 1dt6A1 GLN 44 HA 0.04 0.01 0.26 -0.75 4.36 3.91 1dt6A1 GLN 44 HB2 0.06 -0.00 -0.00 -0.04 2.15 2.16 1dt6A1 GLN 44 HB3 0.07 -0.05 -0.02 -0.04 2.02 1.97 1dt6A1 GLN 44 HG2 0.12 0.01 -0.13 -0.04 2.40 2.36 1dt6A1 GLN 44 HG3 0.09 -0.05 -0.15 -0.04 2.39 2.24 1dt6A1 GLN 44 HE21 0.21 0.14 0.02 -0.04 6.97 7.31 1dt6A1 GLN 44 HE22 0.13 -0.11 -0.02 -0.04 7.69 7.65 1dt6A1 ILE 45 H 0.14 0.28 -0.25 -0.55 8.25 7.87 1dt6A1 ILE 45 HA 0.04 0.23 1.02 -0.75 4.18 4.73 1dt6A1 ILE 45 HB 0.10 0.03 -0.12 -0.04 1.89 1.86 1dt6A1 ILE 45 HG12 -0.05 -0.02 -0.27 -0.04 1.49 1.11 1dt6A1 ILE 45 HG13 0.01 -0.00 -0.04 -0.04 1.21 1.14 1dt6A1 ILE 45 HG23 0.42 -0.00 0.08 -0.04 0.93 1.39 1dt6A1 ILE 45 HD13 -0.19 -0.01 0.03 -0.04 0.88 0.66 1dt6A1 ASP 46 H 0.01 0.55 0.06 -0.55 8.40 8.47 1dt6A1 ASP 46 HA -0.08 0.01 0.63 -0.75 4.63 4.43 1dt6A1 ASP 46 HB2 0.01 0.08 0.01 -0.04 2.71 2.77 1dt6A1 ASP 46 HB3 -0.00 -0.10 0.06 -0.04 2.70 2.62 1dt6A1 ALA 47 H -0.05 0.02 -0.05 -0.55 8.40 7.77 1dt6A1 ALA 47 HA -0.02 0.33 0.80 -0.75 4.34 4.70 1dt6A1 ALA 47 HB3 -0.03 -0.00 0.08 -0.04 1.41 1.42 1dt6A1 LYS 48 H -0.02 0.22 0.09 -0.55 8.42 8.16 1dt6A1 LYS 48 HA -0.03 0.20 0.73 -0.75 4.32 4.47 1dt6A1 LYS 48 HB2 -0.02 0.03 0.23 -0.04 1.87 2.07 1dt6A1 LYS 48 HB3 -0.02 0.06 0.09 -0.04 1.79 1.88 1dt6A1 LYS 48 HG2 -0.01 -0.06 0.07 -0.04 1.46 1.42 1dt6A1 LYS 48 HG3 -0.01 0.02 -0.09 -0.04 1.46 1.34 1dt6A1 LYS 48 HD2 -0.01 0.02 0.01 -0.04 1.69 1.68 1dt6A1 LYS 48 HD3 -0.01 0.01 0.04 -0.04 1.68 1.69 1dt6A1 LYS 48 HE2 -0.01 0.01 0.03 -0.04 2.99 2.98 1dt6A1 LYS 48 HE3 -0.01 -0.00 0.01 -0.04 2.99 2.95 1dt6A1 ASP 49 H -0.03 -0.06 -0.49 -0.55 8.40 7.27 1dt6A1 ASP 49 HA -0.02 0.28 0.58 -0.75 4.63 4.71 1dt6A1 ASP 49 HB2 -0.02 0.16 -0.09 -0.04 2.71 2.72 1dt6A1 ASP 49 HB3 -0.03 -0.06 0.12 -0.04 2.70 2.69 1dt6A1 ILE 50 H -0.02 0.37 -0.08 -0.55 8.25 7.97 1dt6A1 ILE 50 HA -0.04 -0.03 0.40 -0.75 4.18 3.76 1dt6A1 ILE 50 HB -0.01 0.09 0.08 -0.04 1.89 2.01 1dt6A1 ILE 50 HG12 0.02 -0.00 -0.40 -0.04 1.49 1.07 1dt6A1 ILE 50 HG13 0.03 -0.03 -0.10 -0.04 1.21 1.08 1dt6A1 ILE 50 HG23 -0.01 0.02 0.07 -0.04 0.93 0.96 1dt6A1 ILE 50 HD13 0.02 0.04 -0.04 -0.04 0.88 0.85 1dt6A1 SER 51 H -0.01 0.21 -0.27 -0.55 8.46 7.84 1dt6A1 SER 51 HA 0.03 0.05 0.34 -0.75 4.49 4.15 1dt6A1 SER 51 HB2 -0.01 0.01 -0.02 -0.04 3.95 3.89 1dt6A1 SER 51 HB3 -0.03 0.07 -0.01 -0.04 3.93 3.93 1dt6A1 LYS 52 H -0.03 0.65 -0.29 -0.55 8.42 8.19 1dt6A1 LYS 52 HA -0.02 0.10 0.45 -0.75 4.32 4.09 1dt6A1 LYS 52 HB2 -0.03 -0.02 0.15 -0.04 1.87 1.93 1dt6A1 LYS 52 HB3 -0.05 -0.03 0.08 -0.04 1.79 1.75 1dt6A1 LYS 52 HG2 -0.02 0.03 0.06 -0.04 1.46 1.49 1dt6A1 LYS 52 HG3 -0.02 0.01 0.02 -0.04 1.46 1.42 1dt6A1 LYS 52 HD2 -0.06 -0.04 -0.20 -0.04 1.69 1.36 1dt6A1 LYS 52 HD3 -0.04 -0.02 0.01 -0.04 1.68 1.59 1dt6A1 LYS 52 HE2 -0.03 -0.00 -0.03 -0.04 2.99 2.89 1dt6A1 LYS 52 HE3 -0.01 0.03 -0.01 -0.04 2.99 2.96 1dt6A1 SER 53 H -0.11 0.31 -0.08 -0.55 8.46 8.04 1dt6A1 SER 53 HA -0.27 0.14 0.89 -0.75 4.49 4.50 1dt6A1 SER 53 HB2 -0.60 0.19 0.11 -0.04 3.95 3.61 1dt6A1 SER 53 HB3 -0.25 0.00 0.02 -0.04 3.93 3.66 1dt6A1 LEU 54 H -0.07 0.50 0.02 -0.55 8.37 8.28 1dt6A1 LEU 54 HA 0.17 0.09 0.48 -0.75 4.35 4.33 1dt6A1 LEU 54 HB2 0.11 0.02 0.08 -0.04 1.64 1.81 1dt6A1 LEU 54 HB3 0.30 -0.01 -0.05 -0.04 1.64 1.83 1dt6A1 LEU 54 HG 0.09 0.02 -0.12 -0.04 1.64 1.59 1dt6A1 LEU 54 HD13 0.09 -0.00 -0.12 -0.04 0.93 0.85 1dt6A1 LEU 54 HD23 0.40 0.01 -0.05 -0.04 0.89 1.20 1dt6A1 THR 55 H -0.04 0.20 -0.60 -0.55 8.28 7.30 1dt6A1 THR 55 HA -0.22 0.07 0.51 -0.75 4.39 4.00 1dt6A1 THR 55 HB 0.02 0.15 0.02 -0.04 4.32 4.47 1dt6A1 THR 55 HG23 0.05 -0.00 -0.12 -0.04 1.22 1.10 1dt6A1 LYS 56 H -0.19 0.06 -0.28 -0.55 8.42 7.45 1dt6A1 LYS 56 HA -0.07 0.07 0.42 -0.75 4.32 3.98 1dt6A1 LYS 56 HB2 -0.41 0.12 0.21 -0.04 1.87 1.75 1dt6A1 LYS 56 HB3 -0.12 -0.01 0.04 -0.04 1.79 1.66 1dt6A1 LYS 56 HG2 -0.09 -0.01 0.07 -0.04 1.46 1.38 1dt6A1 LYS 56 HG3 -0.15 0.30 0.31 -0.04 1.46 1.89 1dt6A1 LYS 56 HD2 -0.26 -0.01 0.06 -0.04 1.69 1.43 1dt6A1 LYS 56 HD3 -0.12 0.00 0.00 -0.04 1.68 1.53 1dt6A1 LYS 56 HE2 -0.07 0.01 -0.05 -0.04 2.99 2.84 1dt6A1 LYS 56 HE3 -0.10 0.01 -0.29 -0.04 2.99 2.56 1dt6A1 PHE 57 H -0.35 0.55 -0.23 -0.55 8.34 7.75 1dt6A1 PHE 57 HA -0.18 0.02 0.26 -0.75 4.62 3.97 1dt6A1 PHE 57 HB2 -0.68 0.13 0.07 -0.04 3.15 2.63 1dt6A1 PHE 57 HB3 -1.32 -0.05 -0.08 -0.04 3.06 1.56 1dt6A1 PHE 57 HD2 -0.15 -0.06 -0.03 -0.04 7.28 7.00 1dt6A1 PHE 57 HE2 -0.07 -0.05 -0.01 -0.04 7.38 7.22 1dt6A1 PHE 57 HZ -0.07 0.02 0.09 -0.04 7.32 7.32 1dt6A1 SER 58 H -0.12 0.37 -0.34 -0.55 8.46 7.83 1dt6A1 SER 58 HA 0.12 0.15 0.27 -0.75 4.49 4.28 1dt6A1 SER 58 HB2 -0.23 -0.10 -0.10 -0.04 3.95 3.49 1dt6A1 SER 58 HB3 -0.43 0.12 0.09 -0.04 3.93 3.68 1dt6A1 GLU 59 H -0.05 0.44 -0.65 -0.55 8.60 7.79 1dt6A1 GLU 59 HA 0.00 -0.04 0.31 -0.75 4.29 3.81 1dt6A1 GLU 59 HB2 -0.01 0.37 0.15 -0.04 2.09 2.56 1dt6A1 GLU 59 HB3 0.00 -0.10 0.15 -0.04 1.99 1.99 1dt6A1 GLU 59 HG2 0.01 -0.09 0.04 -0.04 2.34 2.25 1dt6A1 GLU 59 HG3 -0.02 0.19 0.06 -0.04 2.34 2.53 1dt6A1 CYS 60 H 0.02 0.34 -0.97 -0.55 8.50 7.34 1dt6A1 CYS 60 HA -0.08 0.13 0.81 -0.75 4.58 4.69 1dt6A1 CYS 60 HB2 -0.05 0.04 0.16 -0.04 2.97 3.07 1dt6A1 CYS 60 HB3 -0.45 -0.04 0.06 -0.04 2.97 2.50 1dt6A1 TYR 61 H -0.13 0.20 0.12 -0.55 8.29 7.92 1dt6A1 TYR 61 HA 0.02 -0.02 0.34 -0.75 4.56 4.15 1dt6A1 TYR 61 HB2 -0.12 0.06 -0.10 -0.04 3.06 2.87 1dt6A1 TYR 61 HB3 0.08 0.01 -0.04 -0.04 2.98 2.99 1dt6A1 TYR 61 HD2 -0.18 0.10 0.04 -0.04 7.15 7.06 1dt6A1 TYR 61 HE2 -0.26 0.03 0.03 -0.04 6.85 6.61 1dt6A1 GLY 62 H 0.13 0.15 -0.54 -0.55 8.43 7.62 1dt6A1 GLY 62 HA2 0.11 0.10 0.29 -0.51 4.01 4.00 1dt6A1 GLY 62 HA3 0.14 0.13 0.83 -0.51 4.01 4.60 1dt6A1 PRO 63 HA 0.20 -0.05 0.50 -0.51 4.44 4.58 1dt6A1 PRO 63 HB2 0.10 -0.03 0.07 -0.04 2.28 2.38 1dt6A1 PRO 63 HB3 0.12 -0.09 0.21 -0.04 2.02 2.23 1dt6A1 PRO 63 HG2 0.12 0.10 0.12 -0.04 2.03 2.33 1dt6A1 PRO 63 HG3 0.10 0.02 0.11 -0.04 2.03 2.21 1dt6A1 PRO 63 HD2 0.12 0.24 0.29 -0.04 3.68 4.30 1dt6A1 PRO 63 HD3 0.12 0.11 0.19 -0.04 3.65 4.02 1dt6A1 VAL 64 H 0.12 0.23 -0.35 -0.55 8.24 7.70 1dt6A1 VAL 64 HA -0.17 0.43 1.11 -0.75 4.13 4.75 1dt6A1 VAL 64 HB -0.12 0.00 0.07 -0.04 2.12 2.04 1dt6A1 VAL 64 HG13 -0.24 0.00 -0.17 -0.04 0.97 0.52 1dt6A1 VAL 64 HG23 0.27 -0.05 -0.18 -0.04 0.95 0.95 1dt6A1 PHE 65 H -0.57 0.45 0.26 -0.55 8.34 7.92 1dt6A1 PHE 65 HA -0.09 0.15 0.54 -0.75 4.62 4.47 1dt6A1 PHE 65 HB2 -0.25 0.07 -0.09 -0.04 3.15 2.84 1dt6A1 PHE 65 HB3 0.07 0.01 -0.32 -0.04 3.06 2.78 1dt6A1 PHE 65 HD2 -0.13 0.22 -0.38 -0.04 7.28 6.95 1dt6A1 PHE 65 HE2 -0.01 -0.02 -0.12 -0.04 7.38 7.19 1dt6A1 PHE 65 HZ 0.11 -0.03 0.01 -0.04 7.32 7.37 1dt6A1 THR 66 H 0.00 1.09 0.29 -0.55 8.28 9.11 1dt6A1 THR 66 HA -0.20 0.06 1.09 -0.75 4.39 4.59 1dt6A1 THR 66 HB -0.23 -0.13 -0.14 -0.04 4.32 3.78 1dt6A1 THR 66 HG23 -0.11 0.08 -0.17 -0.04 1.22 0.98 1dt6A1 VAL 67 H -0.22 0.63 0.31 -0.55 8.24 8.41 1dt6A1 VAL 67 HA -0.19 0.18 0.78 -0.75 4.13 4.15 1dt6A1 VAL 67 HB -0.04 -0.06 0.03 -0.04 2.12 2.00 1dt6A1 VAL 67 HG13 -0.02 0.00 -0.21 -0.04 0.97 0.70 1dt6A1 VAL 67 HG23 -0.00 0.02 -0.11 -0.04 0.95 0.82 1dt6A1 TYR 68 H 0.06 0.19 0.00 -0.55 8.29 7.99 1dt6A1 TYR 68 HA -0.03 0.38 0.98 -0.75 4.56 5.14 1dt6A1 TYR 68 HB2 -0.03 -0.06 0.03 -0.04 3.06 2.96 1dt6A1 TYR 68 HB3 -0.02 0.06 -0.22 -0.04 2.98 2.76 1dt6A1 TYR 68 HD2 -0.05 -0.01 -0.46 -0.04 7.15 6.60 1dt6A1 TYR 68 HE2 -0.03 0.05 -0.20 -0.04 6.85 6.63 1dt6A1 LEU 69 H -0.03 0.36 -0.08 -0.55 8.37 8.08 1dt6A1 LEU 69 HA 0.03 0.02 0.45 -0.75 4.35 4.09 1dt6A1 LEU 69 HB2 -0.01 0.06 0.14 -0.04 1.64 1.79 1dt6A1 LEU 69 HB3 -0.00 0.05 0.14 -0.04 1.64 1.78 1dt6A1 LEU 69 HG -0.03 0.04 -0.07 -0.04 1.64 1.54 1dt6A1 LEU 69 HD13 -0.01 0.02 -0.03 -0.04 0.93 0.87 1dt6A1 LEU 69 HD23 0.03 -0.02 -0.18 -0.04 0.89 0.67 1dt6A1 GLY 70 H 0.08 0.61 -0.55 -0.55 8.43 8.02 1dt6A1 GLY 70 HA2 0.02 0.13 0.15 -0.51 4.01 3.80 1dt6A1 GLY 70 HA3 0.02 0.18 0.84 -0.51 4.01 4.54 1dt6A1 MET 71 H 0.04 0.18 0.05 -0.55 8.47 8.18 1dt6A1 MET 71 HA 0.05 0.13 0.88 -0.75 4.52 4.83 1dt6A1 MET 71 HB2 0.02 0.04 0.01 -0.04 2.15 2.18 1dt6A1 MET 71 HB3 0.02 0.03 0.08 -0.04 2.03 2.12 1dt6A1 MET 71 HG2 0.00 -0.09 -0.08 -0.04 2.63 2.42 1dt6A1 MET 71 HG3 0.00 0.03 -0.11 -0.04 2.56 2.45 1dt6A1 MET 71 HE3 -0.00 0.01 -0.02 -0.04 2.10 2.05 1dt6A1 LYS 72 H 0.07 0.01 -0.08 -0.55 8.42 7.87 1dt6A1 LYS 72 HA 0.09 0.24 0.85 -0.75 4.32 4.74 1dt6A1 LYS 72 HB2 -0.00 0.02 -0.03 -0.04 1.87 1.82 1dt6A1 LYS 72 HB3 0.00 0.11 0.06 -0.04 1.79 1.93 1dt6A1 LYS 72 HG2 0.03 -0.07 -0.22 -0.04 1.46 1.16 1dt6A1 LYS 72 HG3 0.01 -0.03 0.00 -0.04 1.46 1.40 1dt6A1 LYS 72 HD2 -0.00 -0.03 -0.03 -0.04 1.69 1.59 1dt6A1 LYS 72 HD3 -0.01 0.06 -0.01 -0.04 1.68 1.68 1dt6A1 LYS 72 HE2 0.00 0.08 0.00 -0.04 2.99 3.03 1dt6A1 LYS 72 HE3 0.01 -0.02 -0.05 -0.04 2.99 2.89 1dt6A1 PRO 73 HA -0.65 0.19 0.62 -0.51 4.44 4.09 1dt6A1 PRO 73 HB2 -0.22 0.02 -0.01 -0.04 2.28 2.03 1dt6A1 PRO 73 HB3 -0.13 0.03 0.02 -0.04 2.02 1.90 1dt6A1 PRO 73 HG2 -0.06 -0.01 0.10 -0.04 2.03 2.02 1dt6A1 PRO 73 HG3 0.02 0.05 0.07 -0.04 2.03 2.13 1dt6A1 PRO 73 HD2 0.02 0.07 0.23 -0.04 3.68 3.96 1dt6A1 PRO 73 HD3 0.12 0.17 0.19 -0.04 3.65 4.09 1dt6A1 THR 74 H -0.35 0.48 0.23 -0.55 8.28 8.09 1dt6A1 THR 74 HA -0.13 0.26 0.85 -0.75 4.39 4.62 1dt6A1 THR 74 HB -0.09 0.02 0.05 -0.04 4.32 4.26 1dt6A1 THR 74 HG23 -0.11 -0.00 -0.06 -0.04 1.22 1.00 1dt6A1 VAL 75 H -0.15 0.22 0.17 -0.55 8.24 7.92 1dt6A1 VAL 75 HA -0.25 0.08 0.93 -0.75 4.13 4.15 1dt6A1 VAL 75 HB -0.19 0.00 0.01 -0.04 2.12 1.89 1dt6A1 VAL 75 HG13 -0.12 0.00 0.00 -0.04 0.97 0.82 1dt6A1 VAL 75 HG23 -0.24 -0.00 -0.23 -0.04 0.95 0.44 1dt6A1 VAL 76 H -0.60 0.84 0.46 -0.55 8.24 8.40 1dt6A1 VAL 76 HA -0.32 0.20 1.05 -0.75 4.13 4.31 1dt6A1 VAL 76 HB -1.83 -0.02 0.06 -0.04 2.12 0.28 1dt6A1 VAL 76 HG13 -0.15 0.00 -0.15 -0.04 0.97 0.63 1dt6A1 VAL 76 HG23 -0.14 0.00 -0.10 -0.04 0.95 0.67 1dt6A1 LEU 77 H -0.28 0.48 0.32 -0.55 8.37 8.35 1dt6A1 LEU 77 HA -0.21 0.23 0.94 -0.75 4.35 4.56 1dt6A1 LEU 77 HB2 -0.33 -0.04 0.09 -0.04 1.64 1.32 1dt6A1 LEU 77 HB3 -0.27 -0.06 -0.21 -0.04 1.64 1.07 1dt6A1 LEU 77 HG -0.45 0.01 -0.31 -0.04 1.64 0.85 1dt6A1 LEU 77 HD13 -0.92 -0.01 -0.10 -0.04 0.93 -0.15 1dt6A1 LEU 77 HD23 -0.42 0.05 -0.10 -0.04 0.89 0.37 1dt6A1 HIS 78 H 0.03 0.66 0.35 -0.55 8.41 8.90 1dt6A1 HIS 78 HA -0.03 0.16 1.18 -0.75 4.63 5.18 1dt6A1 HIS 78 HB2 0.07 0.05 -0.11 -0.04 3.26 3.24 1dt6A1 HIS 78 HB3 0.10 -0.05 0.11 -0.04 3.20 3.32 1dt6A1 HIS 78 HD2 0.10 -0.03 -0.14 -0.04 6.97 6.86 1dt6A1 HIS 78 HE1 0.08 0.03 -0.08 -0.04 7.75 7.73 1dt6A1 GLY 79 H 0.14 0.04 0.22 -0.55 8.43 8.28 1dt6A1 GLY 79 HA2 0.13 0.19 0.42 -0.51 4.01 4.23 1dt6A1 GLY 79 HA3 0.10 -0.07 0.41 -0.51 4.01 3.93 1dt6A1 TYR 80 H 0.17 0.16 0.19 -0.55 8.29 8.26 1dt6A1 TYR 80 HA -0.13 0.22 0.55 -0.75 4.56 4.44 1dt6A1 TYR 80 HB2 -0.20 0.14 0.16 -0.04 3.06 3.12 1dt6A1 TYR 80 HB3 -0.04 -0.07 0.19 -0.04 2.98 3.02 1dt6A1 TYR 80 HD2 -0.23 -0.00 -0.00 -0.04 7.15 6.88 1dt6A1 TYR 80 HE2 -0.16 0.04 -0.05 -0.04 6.85 6.63 1dt6A1 GLU 81 H -0.03 0.08 0.01 -0.55 8.60 8.12 1dt6A1 GLU 81 HA -0.47 0.10 0.34 -0.75 4.29 3.51 1dt6A1 GLU 81 HB2 -0.08 0.07 0.04 -0.04 2.09 2.09 1dt6A1 GLU 81 HB3 -0.01 0.02 0.12 -0.04 1.99 2.08 1dt6A1 GLU 81 HG2 0.01 -0.18 0.03 -0.04 2.34 2.17 1dt6A1 GLU 81 HG3 -0.02 0.07 -0.31 -0.04 2.34 2.03 1dt6A1 ALA 82 H -0.04 -0.00 -0.39 -0.55 8.40 7.43 1dt6A1 ALA 82 HA 0.12 0.07 0.24 -0.75 4.34 4.01 1dt6A1 ALA 82 HB3 0.04 0.04 -0.03 -0.04 1.41 1.42 1dt6A1 VAL 83 H -0.15 0.35 -0.61 -0.55 8.24 7.28 1dt6A1 VAL 83 HA -0.24 0.02 0.34 -0.75 4.13 3.50 1dt6A1 VAL 83 HB -0.13 0.10 0.07 -0.04 2.12 2.12 1dt6A1 VAL 83 HG13 -0.14 -0.02 -0.22 -0.04 0.97 0.55 1dt6A1 VAL 83 HG23 -0.14 0.05 -0.21 -0.04 0.95 0.61 1dt6A1 LYS 84 H -0.40 0.68 -0.01 -0.55 8.42 8.13 1dt6A1 LYS 84 HA -0.12 0.04 0.32 -0.75 4.32 3.81 1dt6A1 LYS 84 HB2 -0.63 0.06 0.06 -0.04 1.87 1.33 1dt6A1 LYS 84 HB3 -0.44 -0.03 0.09 -0.04 1.79 1.36 1dt6A1 LYS 84 HG2 -0.10 0.00 -0.06 -0.04 1.46 1.25 1dt6A1 LYS 84 HG3 -0.07 -0.08 -0.15 -0.04 1.46 1.12 1dt6A1 LYS 84 HD2 0.02 -0.01 -0.03 -0.04 1.69 1.63 1dt6A1 LYS 84 HD3 0.14 0.04 -0.03 -0.04 1.68 1.79 1dt6A1 LYS 84 HE2 0.09 -0.01 -0.04 -0.04 2.99 2.99 1dt6A1 LYS 84 HE3 0.04 -0.02 -0.04 -0.04 2.99 2.93 1dt6A1 GLU 85 H -0.16 0.53 -0.14 -0.55 8.60 8.28 1dt6A1 GLU 85 HA 0.01 -0.06 0.29 -0.75 4.29 3.78 1dt6A1 GLU 85 HB2 -0.03 -0.00 0.07 -0.04 2.09 2.09 1dt6A1 GLU 85 HB3 0.10 0.12 0.03 -0.04 1.99 2.20 1dt6A1 GLU 85 HG2 0.27 -0.00 -0.28 -0.04 2.34 2.29 1dt6A1 GLU 85 HG3 0.05 -0.04 -0.00 -0.04 2.34 2.30 1dt6A1 ALA 86 H -0.09 0.40 -0.46 -0.55 8.40 7.70 1dt6A1 ALA 86 HA 0.05 -0.02 0.46 -0.75 4.34 4.07 1dt6A1 ALA 86 HB3 -1.12 -0.01 0.08 -0.04 1.41 0.32 1dt6A1 LEU 87 H -0.24 0.42 0.06 -0.55 8.37 8.06 1dt6A1 LEU 87 HA 0.01 0.02 0.24 -0.75 4.35 3.86 1dt6A1 LEU 87 HB2 -0.14 0.27 0.08 -0.04 1.64 1.81 1dt6A1 LEU 87 HB3 -0.03 0.00 -0.27 -0.04 1.64 1.29 1dt6A1 LEU 87 HG 0.01 -0.19 0.01 -0.04 1.64 1.43 1dt6A1 LEU 87 HD13 -0.24 0.03 0.01 -0.04 0.93 0.69 1dt6A1 LEU 87 HD23 -0.18 -0.01 -0.04 -0.04 0.89 0.61 1dt6A1 VAL 88 H -0.01 0.88 -0.13 -0.55 8.24 8.43 1dt6A1 VAL 88 HA 0.05 0.18 0.81 -0.75 4.13 4.43 1dt6A1 VAL 88 HB -0.00 -0.00 0.03 -0.04 2.12 2.10 1dt6A1 VAL 88 HG13 0.04 -0.01 -0.18 -0.04 0.97 0.77 1dt6A1 VAL 88 HG23 0.03 0.01 -0.04 -0.04 0.95 0.90 1dt6A1 ASP 89 H 0.04 0.24 -0.04 -0.55 8.40 8.08 1dt6A1 ASP 89 HA 0.05 0.01 0.44 -0.75 4.63 4.38 1dt6A1 ASP 89 HB2 0.09 0.56 0.30 -0.04 2.71 3.61 1dt6A1 ASP 89 HB3 0.07 -0.08 0.05 -0.04 2.70 2.69 1dt6A1 LEU 90 H 0.17 0.61 -0.04 -0.55 8.37 8.57 1dt6A1 LEU 90 HA 0.10 0.08 0.78 -0.75 4.35 4.57 1dt6A1 LEU 90 HB2 0.45 0.15 0.22 -0.04 1.64 2.42 1dt6A1 LEU 90 HB3 0.11 -0.17 0.18 -0.04 1.64 1.72 1dt6A1 LEU 90 HG 0.13 -0.06 -0.01 -0.04 1.64 1.67 1dt6A1 LEU 90 HD13 0.13 0.07 -0.25 -0.04 0.93 0.84 1dt6A1 LEU 90 HD23 0.50 0.00 -0.06 -0.04 0.89 1.29 1dt6A1 GLY 91 H 0.10 0.39 -0.67 -0.55 8.43 7.70 1dt6A1 GLY 91 HA2 0.13 0.23 0.16 -0.51 4.01 4.02 1dt6A1 GLY 91 HA3 0.10 0.08 0.22 -0.51 4.01 3.90 1dt6A1 GLU 92 H 0.07 0.12 -0.07 -0.55 8.60 8.17 1dt6A1 GLU 92 HA 0.12 0.14 0.57 -0.75 4.29 4.37 1dt6A1 GLU 92 HB2 0.06 -0.02 0.09 -0.04 2.09 2.19 1dt6A1 GLU 92 HB3 0.05 0.03 -0.04 -0.04 1.99 1.99 1dt6A1 GLU 92 HG2 0.15 0.02 0.01 -0.04 2.34 2.48 1dt6A1 GLU 92 HG3 0.09 -0.00 0.03 -0.04 2.34 2.41 1dt6A1 GLU 93 H 0.02 0.08 -0.39 -0.55 8.60 7.76 1dt6A1 GLU 93 HA -0.12 0.03 0.38 -0.75 4.29 3.83 1dt6A1 GLU 93 HB2 -0.10 0.20 0.12 -0.04 2.09 2.27 1dt6A1 GLU 93 HB3 -0.47 -0.04 -0.07 -0.04 1.99 1.38 1dt6A1 GLU 93 HG2 -0.14 0.00 0.01 -0.04 2.34 2.17 1dt6A1 GLU 93 HG3 -0.07 -0.01 -0.02 -0.04 2.34 2.20 1dt6A1 PHE 94 H 0.10 0.64 -0.15 -0.55 8.34 8.38 1dt6A1 PHE 94 HA -0.06 0.05 0.52 -0.75 4.62 4.38 1dt6A1 PHE 94 HB2 -0.02 0.21 -0.14 -0.04 3.15 3.15 1dt6A1 PHE 94 HB3 -0.01 -0.07 0.05 -0.04 3.06 2.99 1dt6A1 PHE 94 HD2 -0.10 0.14 -0.09 -0.04 7.28 7.19 1dt6A1 PHE 94 HE2 -0.19 0.00 -0.09 -0.04 7.38 7.06 1dt6A1 PHE 94 HZ -0.73 -0.03 -0.09 -0.04 7.32 6.42 1dt6A1 ALA 95 H -0.04 0.31 -0.56 -0.55 8.40 7.56 1dt6A1 ALA 95 HA -0.20 0.20 1.08 -0.75 4.34 4.65 1dt6A1 ALA 95 HB3 -0.14 0.05 0.12 -0.04 1.41 1.40 1dt6A1 GLY 96 H -0.20 -0.03 -0.17 -0.55 8.43 7.49 1dt6A1 GLY 96 HA2 -0.35 0.18 0.94 -0.51 4.01 4.28 1dt6A1 GLY 96 HA3 -0.18 0.31 0.46 -0.51 4.01 4.10 1dt6A1 ARG 97 H -0.11 0.05 0.02 -0.55 8.46 7.87 1dt6A1 ARG 97 HA -0.04 0.56 0.51 -0.75 4.34 4.62 1dt6A1 ARG 97 HB2 0.02 -0.27 0.09 -0.04 1.90 1.70 1dt6A1 ARG 97 HB3 0.14 0.12 0.02 -0.04 1.80 2.05 1dt6A1 ARG 97 HG2 -0.03 -0.20 -0.00 -0.04 1.67 1.40 1dt6A1 ARG 97 HG3 -0.23 0.38 -0.28 -0.04 1.67 1.50 1dt6A1 ARG 97 HD2 -0.22 0.07 -0.02 -0.04 3.22 3.01 1dt6A1 ARG 97 HD3 -0.41 0.12 -0.28 -0.04 3.22 2.61 1dt6A1 GLY 98 H -0.04 -0.03 0.09 -0.55 8.43 7.90 1dt6A1 GLY 98 HA2 -0.04 -0.05 0.37 -0.51 4.01 3.78 1dt6A1 GLY 98 HA3 -0.04 0.17 0.40 -0.51 4.01 4.03 1dt6A1 SER 99 H -0.06 0.19 0.18 -0.55 8.46 8.22 1dt6A1 SER 99 HA -0.09 0.13 0.50 -0.75 4.49 4.28 1dt6A1 SER 99 HB2 -0.17 0.26 -0.13 -0.04 3.95 3.87 1dt6A1 SER 99 HB3 -0.32 -0.08 -0.19 -0.04 3.93 3.30 1dt6A1 VAL 100 H -0.09 0.16 0.12 -0.55 8.24 7.88 1dt6A1 VAL 100 HA -0.05 0.28 1.25 -0.75 4.13 4.86 1dt6A1 VAL 100 HB -0.03 0.04 -0.06 -0.04 2.12 2.03 1dt6A1 VAL 100 HG13 -0.03 -0.01 -0.17 -0.04 0.97 0.71 1dt6A1 VAL 100 HG23 -0.05 0.01 0.07 -0.04 0.95 0.93 1dt6A1 PRO 101 HA -0.02 0.05 0.29 -0.51 4.44 4.26 1dt6A1 PRO 101 HB2 -0.04 -0.08 0.13 -0.04 2.28 2.25 1dt6A1 PRO 101 HB3 -0.01 0.05 0.05 -0.04 2.02 2.07 1dt6A1 PRO 101 HG2 -0.06 0.15 0.08 -0.04 2.03 2.16 1dt6A1 PRO 101 HG3 -0.05 0.03 0.09 -0.04 2.03 2.06 1dt6A1 PRO 101 HD2 -0.09 0.11 0.13 -0.04 3.68 3.78 1dt6A1 PRO 101 HD3 -0.07 0.10 0.24 -0.04 3.65 3.88 1dt6A1 ILE 102 H -0.05 0.13 -0.11 -0.55 8.25 7.67 1dt6A1 ILE 102 HA 0.03 -0.03 0.28 -0.75 4.18 3.71 1dt6A1 ILE 102 HB -0.04 0.04 -0.14 -0.04 1.89 1.70 1dt6A1 ILE 102 HG12 -0.11 -0.06 0.00 -0.04 1.49 1.29 1dt6A1 ILE 102 HG13 -0.10 0.05 -0.05 -0.04 1.21 1.07 1dt6A1 ILE 102 HG23 0.13 0.01 -0.05 -0.04 0.93 0.98 1dt6A1 ILE 102 HD13 0.05 0.00 -0.01 -0.04 0.88 0.88 1dt6A1 LEU 103 H -0.00 0.55 -0.73 -0.55 8.37 7.65 1dt6A1 LEU 103 HA 0.04 0.12 0.77 -0.75 4.35 4.52 1dt6A1 LEU 103 HB2 0.01 0.01 0.24 -0.04 1.64 1.85 1dt6A1 LEU 103 HB3 0.03 0.06 0.12 -0.04 1.64 1.81 1dt6A1 LEU 103 HG 0.01 -0.09 -0.17 -0.04 1.64 1.34 1dt6A1 LEU 103 HD13 0.01 -0.04 0.04 -0.04 0.93 0.90 1dt6A1 LEU 103 HD23 0.06 -0.01 -0.24 -0.04 0.89 0.66 1dt6A1 GLU 104 H 0.05 0.11 -0.15 -0.55 8.60 8.06 1dt6A1 GLU 104 HA 0.04 0.22 1.05 -0.75 4.29 4.84 1dt6A1 GLU 104 HB2 0.17 -0.09 -0.09 -0.04 2.09 2.04 1dt6A1 GLU 104 HB3 0.07 0.05 -0.04 -0.04 1.99 2.03 1dt6A1 GLU 104 HG2 0.06 0.09 -0.15 -0.04 2.34 2.30 1dt6A1 GLU 104 HG3 0.09 -0.11 -0.04 -0.04 2.34 2.24 1dt6A1 LYS 105 H 0.05 0.19 0.08 -0.55 8.42 8.18 1dt6A1 LYS 105 HA 0.04 0.16 0.85 -0.75 4.32 4.62 1dt6A1 LYS 105 HB2 0.03 0.01 0.05 -0.04 1.87 1.92 1dt6A1 LYS 105 HB3 0.03 0.00 0.15 -0.04 1.79 1.94 1dt6A1 LYS 105 HG2 0.02 0.04 -0.03 -0.04 1.46 1.45 1dt6A1 LYS 105 HG3 0.02 0.01 -0.24 -0.04 1.46 1.22 1dt6A1 LYS 105 HD2 0.03 -0.01 0.01 -0.04 1.69 1.67 1dt6A1 LYS 105 HD3 0.02 0.00 -0.03 -0.04 1.68 1.63 1dt6A1 LYS 105 HE2 0.02 -0.01 -0.19 -0.04 2.99 2.76 1dt6A1 LYS 105 HE3 0.02 -0.01 -0.06 -0.04 2.99 2.90 1dt6A1 VAL 106 H 0.03 0.23 0.03 -0.55 8.24 7.98 1dt6A1 VAL 106 HA 0.02 0.03 0.20 -0.75 4.13 3.62 1dt6A1 VAL 106 HB 0.02 -0.03 0.16 -0.04 2.12 2.23 1dt6A1 VAL 106 HG13 0.02 -0.01 0.00 -0.04 0.97 0.94 1dt6A1 VAL 106 HG23 0.02 0.00 -0.22 -0.04 0.95 0.71 1dt6A1 SER 107 H 0.03 -0.02 -1.07 -0.55 8.46 6.86 1dt6A1 SER 107 HA 0.03 0.14 0.75 -0.75 4.49 4.65 1dt6A1 SER 107 HB2 0.04 0.07 0.06 -0.04 3.95 4.08 1dt6A1 SER 107 HB3 0.04 -0.22 0.17 -0.04 3.93 3.87 1dt6A1 LYS 108 H 0.03 0.20 -0.03 -0.55 8.42 8.07 1dt6A1 LYS 108 HA 0.03 0.04 0.32 -0.75 4.32 3.95 1dt6A1 LYS 108 HB2 0.03 -0.01 0.02 -0.04 1.87 1.86 1dt6A1 LYS 108 HB3 0.03 0.00 -0.08 -0.04 1.79 1.70 1dt6A1 LYS 108 HG2 0.02 -0.00 -0.08 -0.04 1.46 1.36 1dt6A1 LYS 108 HG3 0.02 0.00 -0.03 -0.04 1.46 1.41 1dt6A1 LYS 108 HD2 0.02 0.00 -0.05 -0.04 1.69 1.63 1dt6A1 LYS 108 HD3 0.02 0.00 -0.02 -0.04 1.68 1.65 1dt6A1 LYS 108 HE2 0.02 0.01 -0.02 -0.04 2.99 2.95 1dt6A1 LYS 108 HE3 0.02 0.00 -0.04 -0.04 2.99 2.93 1dt6A1 GLY 109 H 0.04 0.08 0.10 -0.55 8.43 8.09 1dt6A1 GLY 109 HA2 0.06 0.22 0.39 -0.51 4.01 4.17 1dt6A1 GLY 109 HA3 0.05 -0.08 0.42 -0.51 4.01 3.88 1dt6A1 LEU 110 H 0.06 0.78 -0.13 -0.55 8.37 8.54 1dt6A1 LEU 110 HA 0.09 0.11 0.75 -0.75 4.35 4.54 1dt6A1 LEU 110 HB2 0.06 0.03 -0.03 -0.04 1.64 1.66 1dt6A1 LEU 110 HB3 0.07 -0.02 0.10 -0.04 1.64 1.75 1dt6A1 LEU 110 HG 0.04 0.01 -0.28 -0.04 1.64 1.38 1dt6A1 LEU 110 HD13 0.03 -0.01 -0.07 -0.04 0.93 0.84 1dt6A1 LEU 110 HD23 0.05 -0.03 -0.47 -0.04 0.89 0.40 1dt6A1 GLY 111 H 0.11 0.09 0.09 -0.55 8.43 8.17 1dt6A1 GLY 111 HA2 0.10 -0.00 0.19 -0.51 4.01 3.79 1dt6A1 GLY 111 HA3 0.09 0.26 0.74 -0.51 4.01 4.58 1dt6A1 ILE 112 H 0.07 0.06 0.09 -0.55 8.25 7.92 1dt6A1 ILE 112 HA 0.20 0.21 0.76 -0.75 4.18 4.60 1dt6A1 ILE 112 HB 0.04 -0.08 0.10 -0.04 1.89 1.90 1dt6A1 ILE 112 HG12 0.16 0.11 -0.19 -0.04 1.49 1.52 1dt6A1 ILE 112 HG13 0.16 -0.08 -0.33 -0.04 1.21 0.92 1dt6A1 ILE 112 HG23 0.10 -0.00 -0.25 -0.04 0.93 0.74 1dt6A1 ILE 112 HD13 0.12 -0.01 -0.02 -0.04 0.88 0.93 1dt6A1 ALA 113 H -0.08 0.01 0.10 -0.55 8.40 7.88 1dt6A1 ALA 113 HA -0.24 0.11 0.62 -0.75 4.34 4.07 1dt6A1 ALA 113 HB3 -0.63 -0.01 0.06 -0.04 1.41 0.79 1dt6A1 PHE 114 H -0.20 0.11 0.00 -0.55 8.34 7.71 1dt6A1 PHE 114 HA -0.09 -0.08 0.31 -0.75 4.62 4.01 1dt6A1 PHE 114 HB2 -0.00 0.27 0.20 -0.04 3.15 3.58 1dt6A1 PHE 114 HB3 -0.02 -0.06 -0.08 -0.04 3.06 2.86 1dt6A1 PHE 114 HD2 -0.03 0.04 -0.10 -0.04 7.28 7.14 1dt6A1 PHE 114 HE2 -0.04 0.03 -0.06 -0.04 7.38 7.27 1dt6A1 PHE 114 HZ -0.05 0.04 -0.05 -0.04 7.32 7.21 1dt6A1 SER 115 H 0.03 -0.00 0.04 -0.55 8.46 7.98 1dt6A1 SER 115 HA 0.03 -0.05 0.28 -0.75 4.49 3.99 1dt6A1 SER 115 HB2 0.11 0.49 0.30 -0.04 3.95 4.81 1dt6A1 SER 115 HB3 0.09 -0.05 0.08 -0.04 3.93 4.01 1dt6A1 ASN 116 H 0.05 0.22 0.17 -0.55 8.53 8.42 1dt6A1 ASN 116 HA 0.03 0.11 0.59 -0.75 4.76 4.73 1dt6A1 ASN 116 HB2 0.07 0.02 0.18 -0.04 2.88 3.11 1dt6A1 ASN 116 HB3 0.06 -0.05 0.11 -0.04 2.79 2.87 1dt6A1 ASN 116 HD21 0.02 0.05 0.09 -0.04 7.03 7.15 1dt6A1 ASN 116 HD22 0.04 0.08 0.17 -0.04 7.74 7.99 1dt6A1 ALA 117 H 0.14 0.26 0.25 -0.55 8.40 8.50 1dt6A1 ALA 117 HA 0.67 -0.06 0.44 -0.75 4.34 4.64 1dt6A1 ALA 117 HB3 0.30 0.05 0.15 -0.04 1.41 1.87 1dt6A1 LYS 118 H 0.11 0.04 -0.42 -0.55 8.42 7.60 1dt6A1 LYS 118 HA 0.07 0.04 0.31 -0.75 4.32 3.98 1dt6A1 LYS 118 HB2 0.05 0.03 0.07 -0.04 1.87 1.98 1dt6A1 LYS 118 HB3 0.06 -0.05 0.08 -0.04 1.79 1.84 1dt6A1 LYS 118 HG2 0.06 -0.03 0.02 -0.04 1.46 1.47 1dt6A1 LYS 118 HG3 0.08 0.13 -0.14 -0.04 1.46 1.49 1dt6A1 LYS 118 HD2 0.04 0.01 -0.07 -0.04 1.69 1.63 1dt6A1 LYS 118 HD3 0.04 -0.02 -0.01 -0.04 1.68 1.65 1dt6A1 LYS 118 HE2 0.05 0.02 -0.10 -0.04 2.99 2.91 1dt6A1 LYS 118 HE3 0.04 -0.00 -0.05 -0.04 2.99 2.93 1dt6A1 THR 119 H 0.13 0.46 -0.12 -0.55 8.28 8.21 1dt6A1 THR 119 HA 0.08 0.12 0.92 -0.75 4.39 4.75 1dt6A1 THR 119 HB 0.11 0.15 0.14 -0.04 4.32 4.68 1dt6A1 THR 119 HG23 0.11 0.02 0.09 -0.04 1.22 1.40 1dt6A1 TRP 120 H 0.29 0.38 -0.08 -0.55 7.97 8.02 1dt6A1 TRP 120 HA 0.04 0.25 0.33 -0.75 4.62 4.48 1dt6A1 TRP 120 HB2 0.01 0.15 -0.33 -0.04 3.23 3.03 1dt6A1 TRP 120 HB3 0.01 -0.28 0.02 -0.04 3.23 2.94 1dt6A1 TRP 120 HD1 0.00 0.18 -0.06 -0.04 7.22 7.30 1dt6A1 TRP 120 HE1 -0.02 0.03 -0.05 -0.04 10.20 10.12 1dt6A1 TRP 120 HE3 0.00 -0.20 0.15 -0.04 7.59 7.51 1dt6A1 TRP 120 HZ2 -0.01 0.30 -0.11 -0.04 7.44 7.57 1dt6A1 TRP 120 HZ3 -0.00 -0.04 0.08 -0.04 7.13 7.13 1dt6A1 TRP 120 HH2 -0.00 -0.04 -0.01 -0.04 7.19 7.10 1dt6A1 LYS 121 H 0.02 0.09 0.14 -0.55 8.42 8.10 1dt6A1 LYS 121 HA -1.12 0.03 0.34 -0.75 4.32 2.82 1dt6A1 LYS 121 HB2 -0.10 0.07 0.13 -0.04 1.87 1.94 1dt6A1 LYS 121 HB3 -0.20 0.02 -0.06 -0.04 1.79 1.51 1dt6A1 LYS 121 HG2 -0.66 0.01 0.11 -0.04 1.46 0.88 1dt6A1 LYS 121 HG3 -0.14 -0.01 0.05 -0.04 1.46 1.32 1dt6A1 LYS 121 HD2 -0.31 -0.01 0.05 -0.04 1.69 1.38 1dt6A1 LYS 121 HD3 -0.76 0.02 0.09 -0.04 1.68 0.99 1dt6A1 LYS 121 HE2 -0.12 -0.02 0.02 -0.04 2.99 2.84 1dt6A1 LYS 121 HE3 -0.17 0.01 0.03 -0.04 2.99 2.81 1dt6A1 GLU 122 H -0.06 0.19 -0.69 -0.55 8.60 7.49 1dt6A1 GLU 122 HA -0.05 0.02 0.54 -0.75 4.29 4.04 1dt6A1 GLU 122 HB2 0.01 0.12 0.09 -0.04 2.09 2.27 1dt6A1 GLU 122 HB3 -0.00 -0.04 -0.01 -0.04 1.99 1.90 1dt6A1 GLU 122 HG2 -0.02 -0.01 -0.01 -0.04 2.34 2.26 1dt6A1 GLU 122 HG3 -0.01 0.02 0.06 -0.04 2.34 2.36 1dt6A1 MET 123 H 0.05 0.72 0.17 -0.55 8.47 8.86 1dt6A1 MET 123 HA 0.19 -0.06 0.38 -0.75 4.52 4.28 1dt6A1 MET 123 HB2 0.15 0.38 0.13 -0.04 2.15 2.77 1dt6A1 MET 123 HB3 0.21 -0.16 -0.09 -0.04 2.03 1.95 1dt6A1 MET 123 HG2 0.12 0.02 0.12 -0.04 2.63 2.84 1dt6A1 MET 123 HG3 0.16 -0.17 0.06 -0.04 2.56 2.56 1dt6A1 MET 123 HE3 -0.04 -0.02 -0.20 -0.04 2.10 1.81 1dt6A1 ARG 124 H -0.12 0.69 -0.48 -0.55 8.46 8.00 1dt6A1 ARG 124 HA 0.05 0.03 0.48 -0.75 4.34 4.15 1dt6A1 ARG 124 HB2 -0.34 0.03 -0.11 -0.04 1.90 1.43 1dt6A1 ARG 124 HB3 -0.53 0.01 -0.03 -0.04 1.80 1.20 1dt6A1 ARG 124 HG2 -0.07 -0.09 -0.30 -0.04 1.67 1.17 1dt6A1 ARG 124 HG3 0.05 0.01 -0.08 -0.04 1.67 1.60 1dt6A1 ARG 124 HD2 -0.39 0.03 -0.02 -0.04 3.22 2.80 1dt6A1 ARG 124 HD3 -0.39 -0.05 -0.04 -0.04 3.22 2.70 1dt6A1 ARG 125 H -0.16 0.60 0.03 -0.55 8.46 8.37 1dt6A1 ARG 125 HA -0.07 -0.02 0.36 -0.75 4.34 3.86 1dt6A1 ARG 125 HB2 -0.12 0.05 0.22 -0.04 1.90 2.00 1dt6A1 ARG 125 HB3 -0.03 0.10 0.29 -0.04 1.80 2.12 1dt6A1 ARG 125 HG2 -0.04 -0.06 -0.01 -0.04 1.67 1.52 1dt6A1 ARG 125 HG3 -0.04 -0.03 0.02 -0.04 1.67 1.57 1dt6A1 ARG 125 HD2 0.04 0.02 -0.04 -0.04 3.22 3.19 1dt6A1 ARG 125 HD3 0.02 0.00 -0.71 -0.04 3.22 2.50 1dt6A1 PHE 126 H 0.16 0.62 -0.10 -0.55 8.34 8.47 1dt6A1 PHE 126 HA -0.03 -0.02 0.32 -0.75 4.62 4.14 1dt6A1 PHE 126 HB2 -0.03 -0.01 0.07 -0.04 3.15 3.14 1dt6A1 PHE 126 HB3 0.05 0.07 0.02 -0.04 3.06 3.16 1dt6A1 PHE 126 HD2 -0.02 0.02 -0.15 -0.04 7.28 7.09 1dt6A1 PHE 126 HE2 -0.58 0.06 -0.16 -0.04 7.38 6.66 1dt6A1 PHE 126 HZ -0.14 -0.04 -0.29 -0.04 7.32 6.81 1dt6A1 SER 127 H 0.20 0.35 -0.59 -0.55 8.46 7.88 1dt6A1 SER 127 HA 0.23 -0.02 0.48 -0.75 4.49 4.43 1dt6A1 SER 127 HB2 0.19 0.26 0.28 -0.04 3.95 4.64 1dt6A1 SER 127 HB3 0.14 -0.09 -0.05 -0.04 3.93 3.89 1dt6A1 LEU 128 H 0.02 0.70 0.05 -0.55 8.37 8.60 1dt6A1 LEU 128 HA -0.00 0.02 0.35 -0.75 4.35 3.96 1dt6A1 LEU 128 HB2 -0.03 0.12 0.11 -0.04 1.64 1.80 1dt6A1 LEU 128 HB3 -0.03 -0.06 -0.07 -0.04 1.64 1.45 1dt6A1 LEU 128 HG 0.00 0.00 -0.03 -0.04 1.64 1.57 1dt6A1 LEU 128 HD13 -0.02 -0.01 -0.08 -0.04 0.93 0.78 1dt6A1 LEU 128 HD23 -0.00 0.01 0.01 -0.04 0.89 0.87 1dt6A1 MET 129 H -0.09 0.47 -0.31 -0.55 8.47 7.98 1dt6A1 MET 129 HA -0.06 0.05 0.62 -0.75 4.52 4.38 1dt6A1 MET 129 HB2 -0.17 0.07 0.12 -0.04 2.15 2.13 1dt6A1 MET 129 HB3 -0.10 -0.04 -0.00 -0.04 2.03 1.84 1dt6A1 MET 129 HG2 -0.05 -0.04 -0.07 -0.04 2.63 2.43 1dt6A1 MET 129 HG3 -0.06 0.13 -0.02 -0.04 2.56 2.57 1dt6A1 MET 129 HE3 -0.03 -0.01 -0.02 -0.04 2.10 1.99 1dt6A1 THR 130 H -0.37 0.51 0.09 -0.55 8.28 7.96 1dt6A1 THR 130 HA -0.16 0.07 0.44 -0.75 4.39 3.99 1dt6A1 THR 130 HB -0.27 0.04 0.13 -0.04 4.32 4.18 1dt6A1 THR 130 HG23 -1.17 0.13 0.13 -0.04 1.22 0.27 1dt6A1 LEU 131 H -0.05 0.44 -0.58 -0.55 8.37 7.63 1dt6A1 LEU 131 HA 0.02 0.11 0.68 -0.75 4.35 4.40 1dt6A1 LEU 131 HB2 0.02 0.36 0.06 -0.04 1.64 2.04 1dt6A1 LEU 131 HB3 -0.01 -0.15 0.15 -0.04 1.64 1.59 1dt6A1 LEU 131 HG 0.20 0.02 -0.04 -0.04 1.64 1.78 1dt6A1 LEU 131 HD13 -0.04 -0.04 -0.11 -0.04 0.93 0.70 1dt6A1 LEU 131 HD23 -0.01 -0.01 -0.03 -0.04 0.89 0.80 1dt6A1 ARG 132 H -0.04 0.45 -0.52 -0.55 8.46 7.80 1dt6A1 ARG 132 HA -0.03 0.04 0.57 -0.75 4.34 4.17 1dt6A1 ARG 132 HB2 -0.00 -0.02 0.06 -0.04 1.90 1.89 1dt6A1 ARG 132 HB3 0.01 -0.17 0.07 -0.04 1.80 1.67 1dt6A1 ARG 132 HG2 -0.02 -0.06 0.11 -0.04 1.67 1.65 1dt6A1 ARG 132 HG3 -0.04 0.36 0.30 -0.04 1.67 2.24 1dt6A1 ARG 132 HD2 -0.03 -0.04 0.07 -0.04 3.22 3.18 1dt6A1 ARG 132 HD3 -0.02 0.01 0.05 -0.04 3.22 3.22 1dt6A1 ASN 133 H -0.02 0.15 0.14 -0.55 8.53 8.25 1dt6A1 ASN 133 HA -0.13 0.01 0.33 -0.75 4.76 4.22 1dt6A1 ASN 133 HB2 -0.05 0.05 0.15 -0.04 2.88 2.99 1dt6A1 ASN 133 HB3 0.03 0.06 0.06 -0.04 2.79 2.90 1dt6A1 ASN 133 HD21 -0.14 -0.08 0.02 -0.04 7.03 6.79 1dt6A1 ASN 133 HD22 0.01 0.10 -0.00 -0.04 7.74 7.81 1dt6A1 PHE 134 H 0.11 0.08 -0.41 -0.55 8.34 7.58 1dt6A1 PHE 134 HA -0.01 0.24 0.86 -0.75 4.62 4.97 1dt6A1 PHE 134 HB2 -0.02 -0.05 0.02 -0.04 3.15 3.06 1dt6A1 PHE 134 HB3 -0.01 0.04 0.17 -0.04 3.06 3.21 1dt6A1 PHE 134 HD2 -0.01 0.09 -0.06 -0.04 7.28 7.26 1dt6A1 PHE 134 HE2 -0.01 0.08 0.03 -0.04 7.38 7.44 1dt6A1 PHE 134 HZ -0.00 -0.01 0.04 -0.04 7.32 7.30 1dt6A1 GLY 135 H 0.01 0.77 -0.19 -0.55 8.43 8.47 1dt6A1 GLY 135 HA2 0.02 0.06 0.56 -0.51 4.01 4.13 1dt6A1 GLY 135 HA3 -0.02 0.11 0.37 -0.51 4.01 3.97 1dt6A1 MET 136 H 0.05 0.10 -0.76 -0.55 8.47 7.31 1dt6A1 MET 136 HA 0.04 0.12 0.46 -0.75 4.52 4.38 1dt6A1 MET 136 HB2 0.03 0.02 -0.13 -0.04 2.15 2.02 1dt6A1 MET 136 HB3 0.08 -0.05 -0.32 -0.04 2.03 1.70 1dt6A1 MET 136 HG2 0.05 -0.11 -0.18 -0.04 2.63 2.36 1dt6A1 MET 136 HG3 0.02 0.21 -0.65 -0.04 2.56 2.09 1dt6A1 MET 136 HE3 0.02 -0.03 -0.03 -0.04 2.10 2.02 1dt6A1 GLY 137 H 0.07 0.13 -0.05 -0.55 8.43 8.03 1dt6A1 GLY 137 HA2 0.08 0.02 0.32 -0.51 4.01 3.92 1dt6A1 GLY 137 HA3 0.07 0.14 0.50 -0.51 4.01 4.21 1dt6A1 LYS 138 H 0.09 0.13 0.13 -0.55 8.42 8.22 1dt6A1 LYS 138 HA 0.27 0.06 0.37 -0.75 4.32 4.27 1dt6A1 LYS 138 HB2 0.08 0.02 0.10 -0.04 1.87 2.03 1dt6A1 LYS 138 HB3 0.10 -0.01 0.05 -0.04 1.79 1.89 1dt6A1 LYS 138 HG2 0.05 -0.00 0.05 -0.04 1.46 1.52 1dt6A1 LYS 138 HG3 0.06 -0.02 0.07 -0.04 1.46 1.52 1dt6A1 LYS 138 HD2 0.04 -0.01 0.03 -0.04 1.69 1.71 1dt6A1 LYS 138 HD3 0.02 0.00 0.03 -0.04 1.68 1.69 1dt6A1 LYS 138 HE2 0.03 0.02 0.05 -0.04 2.99 3.05 1dt6A1 LYS 138 HE3 0.05 0.01 0.05 -0.04 2.99 3.05 1dt6A1 ARG 139 H 0.08 0.20 -0.25 -0.55 8.46 7.94 1dt6A1 ARG 139 HA 0.01 0.01 0.70 -0.75 4.34 4.31 1dt6A1 ARG 139 HB2 0.06 -0.06 0.08 -0.04 1.90 1.94 1dt6A1 ARG 139 HB3 0.05 0.13 0.18 -0.04 1.80 2.13 1dt6A1 ARG 139 HG2 -0.08 0.05 -0.05 -0.04 1.67 1.56 1dt6A1 ARG 139 HG3 -0.04 -0.08 -0.02 -0.04 1.67 1.49 1dt6A1 ARG 139 HD2 -0.01 -0.05 -0.01 -0.04 3.22 3.11 1dt6A1 ARG 139 HD3 0.02 0.02 0.02 -0.04 3.22 3.24 1dt6A1 SER 140 H -0.20 0.19 0.12 -0.55 8.46 8.02 1dt6A1 SER 140 HA -0.53 0.33 0.45 -0.75 4.49 3.97 1dt6A1 SER 140 HB2 -1.02 0.01 0.14 -0.04 3.95 3.04 1dt6A1 SER 140 HB3 -1.67 0.12 0.13 -0.04 3.93 2.47 1dt6A1 ILE 141 H -0.28 0.60 0.36 -0.55 8.25 8.38 1dt6A1 ILE 141 HA -0.12 0.17 0.46 -0.75 4.18 3.94 1dt6A1 ILE 141 HB -0.13 -0.11 0.09 -0.04 1.89 1.70 1dt6A1 ILE 141 HG12 -0.08 0.08 -0.01 -0.04 1.49 1.43 1dt6A1 ILE 141 HG13 -0.13 0.12 0.03 -0.04 1.21 1.19 1dt6A1 ILE 141 HG23 -0.08 -0.00 -0.00 -0.04 0.93 0.80 1dt6A1 ILE 141 HD13 -0.06 0.01 -0.22 -0.04 0.88 0.57 1dt6A1 GLU 142 H -0.21 0.13 -0.13 -0.55 8.60 7.84 1dt6A1 GLU 142 HA -0.09 0.07 0.39 -0.75 4.29 3.90 1dt6A1 GLU 142 HB2 -0.08 0.02 0.09 -0.04 2.09 2.07 1dt6A1 GLU 142 HB3 -0.12 0.02 0.06 -0.04 1.99 1.90 1dt6A1 GLU 142 HG2 -0.03 0.09 -0.34 -0.04 2.34 2.02 1dt6A1 GLU 142 HG3 -0.03 -0.00 0.02 -0.04 2.34 2.29 1dt6A1 ASP 143 H -0.14 0.16 -0.34 -0.55 8.40 7.54 1dt6A1 ASP 143 HA -0.03 0.05 0.41 -0.75 4.63 4.30 1dt6A1 ASP 143 HB2 -0.09 0.25 0.04 -0.04 2.71 2.87 1dt6A1 ASP 143 HB3 -0.04 0.03 -0.03 -0.04 2.70 2.62 1dt6A1 ARG 144 H -0.09 0.38 -0.36 -0.55 8.46 7.83 1dt6A1 ARG 144 HA -0.06 0.02 0.37 -0.75 4.34 3.93 1dt6A1 ARG 144 HB2 -0.08 0.10 0.14 -0.04 1.90 2.02 1dt6A1 ARG 144 HB3 -0.07 -0.03 0.02 -0.04 1.80 1.68 1dt6A1 ARG 144 HG2 -0.11 -0.07 -0.05 -0.04 1.67 1.40 1dt6A1 ARG 144 HG3 -0.10 0.38 0.02 -0.04 1.67 1.93 1dt6A1 ARG 144 HD2 -0.08 -0.10 -0.09 -0.04 3.22 2.91 1dt6A1 ARG 144 HD3 -0.11 0.00 -0.19 -0.04 3.22 2.89 1dt6A1 ILE 145 H -0.08 0.54 -0.08 -0.55 8.25 8.08 1dt6A1 ILE 145 HA -0.09 0.02 0.41 -0.75 4.18 3.77 1dt6A1 ILE 145 HB -0.12 0.07 0.08 -0.04 1.89 1.88 1dt6A1 ILE 145 HG12 -0.11 0.39 0.07 -0.04 1.49 1.80 1dt6A1 ILE 145 HG13 -0.13 -0.12 -0.02 -0.04 1.21 0.90 1dt6A1 ILE 145 HG23 -0.45 -0.02 -0.15 -0.04 0.93 0.27 1dt6A1 ILE 145 HD13 -0.14 -0.01 0.01 -0.04 0.88 0.70 1dt6A1 GLN 146 H -0.04 0.53 -0.29 -0.55 8.47 8.12 1dt6A1 GLN 146 HA 0.00 0.02 0.38 -0.75 4.36 4.01 1dt6A1 GLN 146 HB2 -0.01 0.10 0.23 -0.04 2.15 2.42 1dt6A1 GLN 146 HB3 0.01 -0.04 -0.03 -0.04 2.02 1.92 1dt6A1 GLN 146 HG2 0.02 0.13 0.06 -0.04 2.40 2.57 1dt6A1 GLN 146 HG3 -0.00 -0.09 0.03 -0.04 2.39 2.29 1dt6A1 GLN 146 HE21 0.01 -0.07 -0.04 -0.04 6.97 6.83 1dt6A1 GLN 146 HE22 -0.00 0.08 0.03 -0.04 7.69 7.75 1dt6A1 GLU 147 H -0.00 0.47 -0.19 -0.55 8.60 8.32 1dt6A1 GLU 147 HA 0.02 0.04 0.45 -0.75 4.29 4.05 1dt6A1 GLU 147 HB2 -0.01 0.08 0.10 -0.04 2.09 2.22 1dt6A1 GLU 147 HB3 -0.00 0.07 0.11 -0.04 1.99 2.12 1dt6A1 GLU 147 HG2 -0.00 -0.08 -0.07 -0.04 2.34 2.14 1dt6A1 GLU 147 HG3 -0.01 -0.01 0.02 -0.04 2.34 2.30 1dt6A1 GLU 148 H 0.07 0.49 -0.09 -0.55 8.60 8.53 1dt6A1 GLU 148 HA 0.11 -0.02 0.39 -0.75 4.29 4.02 1dt6A1 GLU 148 HB2 0.15 0.08 0.11 -0.04 2.09 2.39 1dt6A1 GLU 148 HB3 0.39 0.09 0.06 -0.04 1.99 2.49 1dt6A1 GLU 148 HG2 0.25 0.19 0.07 -0.04 2.34 2.81 1dt6A1 GLU 148 HG3 0.21 -0.08 -0.04 -0.04 2.34 2.39 1dt6A1 ALA 149 H 0.20 0.55 -0.30 -0.55 8.40 8.30 1dt6A1 ALA 149 HA 0.39 -0.03 0.32 -0.75 4.34 4.26 1dt6A1 ALA 149 HB3 0.15 0.06 0.01 -0.04 1.41 1.59 1dt6A1 ARG 150 H 0.09 0.43 -0.36 -0.55 8.46 8.06 1dt6A1 ARG 150 HA 0.06 0.08 0.52 -0.75 4.34 4.24 1dt6A1 ARG 150 HB2 0.03 0.14 0.20 -0.04 1.90 2.23 1dt6A1 ARG 150 HB3 0.03 -0.07 0.04 -0.04 1.80 1.76 1dt6A1 ARG 150 HG2 0.04 -0.01 0.04 -0.04 1.67 1.69 1dt6A1 ARG 150 HG3 0.04 0.21 0.11 -0.04 1.67 1.99 1dt6A1 ARG 150 HD2 0.02 -0.02 0.02 -0.04 3.22 3.20 1dt6A1 ARG 150 HD3 0.02 -0.03 0.01 -0.04 3.22 3.18 1dt6A1 CYS 151 H 0.05 0.47 0.01 -0.55 8.50 8.48 1dt6A1 CYS 151 HA -0.02 -0.03 0.41 -0.75 4.58 4.18 1dt6A1 CYS 151 HB2 0.04 0.15 0.20 -0.04 2.97 3.32 1dt6A1 CYS 151 HB3 -0.17 -0.09 0.03 -0.04 2.97 2.69 1dt6A1 LEU 152 H 0.11 0.65 -0.27 -0.55 8.37 8.32 1dt6A1 LEU 152 HA 0.18 -0.04 0.41 -0.75 4.35 4.15 1dt6A1 LEU 152 HB2 -0.07 -0.07 0.01 -0.04 1.64 1.47 1dt6A1 LEU 152 HB3 0.06 0.14 0.09 -0.04 1.64 1.89 1dt6A1 LEU 152 HG -0.03 0.05 -0.39 -0.04 1.64 1.23 1dt6A1 LEU 152 HD13 -0.15 -0.03 -0.06 -0.04 0.93 0.65 1dt6A1 LEU 152 HD23 -0.26 -0.00 -0.09 -0.04 0.89 0.50 1dt6A1 VAL 153 H 0.10 0.53 -0.12 -0.55 8.24 8.20 1dt6A1 VAL 153 HA 0.29 0.04 0.39 -0.75 4.13 4.09 1dt6A1 VAL 153 HB 0.08 0.07 0.22 -0.04 2.12 2.44 1dt6A1 VAL 153 HG13 -0.01 -0.01 -0.10 -0.04 0.97 0.82 1dt6A1 VAL 153 HG23 0.13 0.04 -0.02 -0.04 0.95 1.06 1dt6A1 GLU 154 H 0.07 0.63 -0.10 -0.55 8.60 8.66 1dt6A1 GLU 154 HA 0.07 0.05 0.42 -0.75 4.29 4.08 1dt6A1 GLU 154 HB2 0.02 0.03 0.10 -0.04 2.09 2.20 1dt6A1 GLU 154 HB3 0.01 0.07 0.21 -0.04 1.99 2.24 1dt6A1 GLU 154 HG2 -0.01 -0.04 -0.01 -0.04 2.34 2.24 1dt6A1 GLU 154 HG3 0.00 -0.02 -0.24 -0.04 2.34 2.04 1dt6A1 GLU 155 H 0.05 0.58 0.01 -0.55 8.60 8.69 1dt6A1 GLU 155 HA 0.04 -0.04 0.40 -0.75 4.29 3.95 1dt6A1 GLU 155 HB2 0.23 0.05 0.01 -0.04 2.09 2.34 1dt6A1 GLU 155 HB3 0.16 -0.09 0.12 -0.04 1.99 2.14 1dt6A1 GLU 155 HG2 -0.01 0.23 0.28 -0.04 2.34 2.80 1dt6A1 GLU 155 HG3 0.02 -0.04 0.06 -0.04 2.34 2.34 1dt6A1 LEU 156 H 0.03 0.38 -0.64 -0.55 8.37 7.59 1dt6A1 LEU 156 HA -0.32 -0.03 0.48 -0.75 4.35 3.74 1dt6A1 LEU 156 HB2 -0.02 0.20 0.18 -0.04 1.64 1.96 1dt6A1 LEU 156 HB3 -0.92 -0.03 -0.02 -0.04 1.64 0.63 1dt6A1 LEU 156 HG -0.31 -0.00 -0.02 -0.04 1.64 1.26 1dt6A1 LEU 156 HD13 -0.14 -0.02 -0.16 -0.04 0.93 0.57 1dt6A1 LEU 156 HD23 -1.62 -0.03 -0.04 -0.04 0.89 -0.84 1dt6A1 ARG 157 H 0.14 0.46 -0.17 -0.55 8.46 8.34 1dt6A1 ARG 157 HA 0.26 0.08 0.53 -0.75 4.34 4.46 1dt6A1 ARG 157 HB2 0.10 0.36 0.37 -0.04 1.90 2.70 1dt6A1 ARG 157 HB3 0.10 -0.13 0.07 -0.04 1.80 1.80 1dt6A1 ARG 157 HG2 0.24 -0.01 0.09 -0.04 1.67 1.95 1dt6A1 ARG 157 HG3 0.30 0.29 0.12 -0.04 1.67 2.34 1dt6A1 ARG 157 HD2 0.04 -0.08 0.04 -0.04 3.22 3.18 1dt6A1 ARG 157 HD3 0.02 -0.06 0.04 -0.04 3.22 3.18 1dt6A1 LYS 158 H 0.04 0.33 -0.06 -0.55 8.42 8.18 1dt6A1 LYS 158 HA 0.03 0.01 0.36 -0.75 4.32 3.97 1dt6A1 LYS 158 HB2 0.02 0.15 0.06 -0.04 1.87 2.07 1dt6A1 LYS 158 HB3 0.02 -0.05 0.14 -0.04 1.79 1.86 1dt6A1 LYS 158 HG2 0.02 -0.01 0.03 -0.04 1.46 1.45 1dt6A1 LYS 158 HG3 0.03 0.09 -0.01 -0.04 1.46 1.52 1dt6A1 LYS 158 HD2 0.03 -0.02 0.03 -0.04 1.69 1.68 1dt6A1 LYS 158 HD3 0.02 -0.02 0.02 -0.04 1.68 1.66 1dt6A1 LYS 158 HE2 0.01 0.02 -0.03 -0.04 2.99 2.95 1dt6A1 LYS 158 HE3 0.00 -0.01 -0.08 -0.04 2.99 2.86 1dt6A1 THR 159 H -0.00 0.29 -1.31 -0.55 8.28 6.71 1dt6A1 THR 159 HA -0.01 0.03 0.50 -0.75 4.39 4.16 1dt6A1 THR 159 HB -0.08 0.73 0.22 -0.04 4.32 5.16 1dt6A1 THR 159 HG23 0.07 -0.11 0.04 -0.04 1.22 1.18 1dt6A1 ASN 160 H 0.03 0.51 -0.19 -0.55 8.53 8.34 1dt6A1 ASN 160 HA 0.04 0.05 0.32 -0.75 4.76 4.41 1dt6A1 ASN 160 HB2 0.02 0.08 -0.31 -0.04 2.88 2.63 1dt6A1 ASN 160 HB3 0.02 -0.04 0.20 -0.04 2.79 2.92 1dt6A1 ASN 160 HD21 0.01 -0.09 -0.00 -0.04 7.03 6.91 1dt6A1 ASN 160 HD22 0.01 0.12 -0.11 -0.04 7.74 7.72 1dt6A1 ALA 161 H 0.06 0.10 -0.44 -0.55 8.40 7.58 1dt6A1 ALA 161 HA 0.07 -0.04 0.15 -0.75 4.34 3.77 1dt6A1 ALA 161 HB3 0.06 0.04 0.01 -0.04 1.41 1.48 1dt6A1 SER 162 H 0.03 0.43 -0.14 -0.55 8.46 8.24 1dt6A1 SER 162 HA 0.01 0.12 0.80 -0.75 4.49 4.67 1dt6A1 SER 162 HB2 0.01 -0.03 0.01 -0.04 3.95 3.90 1dt6A1 SER 162 HB3 0.01 0.11 0.10 -0.04 3.93 4.11 1dt6A1 PRO 163 HA -0.00 0.05 0.15 -0.51 4.44 4.12 1dt6A1 PRO 163 HB2 -0.01 -0.03 -0.02 -0.04 2.28 2.19 1dt6A1 PRO 163 HB3 -0.01 -0.03 -0.00 -0.04 2.02 1.94 1dt6A1 PRO 163 HG2 -0.01 -0.00 0.04 -0.04 2.03 2.02 1dt6A1 PRO 163 HG3 -0.01 0.07 -0.00 -0.04 2.03 2.05 1dt6A1 PRO 163 HD2 -0.00 0.06 0.18 -0.04 3.68 3.88 1dt6A1 PRO 163 HD3 0.00 0.16 0.18 -0.04 3.65 3.95 1dt6A1 CYS 164 H -0.01 0.04 0.33 -0.55 8.50 8.31 1dt6A1 CYS 164 HA -0.02 0.02 0.51 -0.75 4.58 4.34 1dt6A1 CYS 164 HB2 0.01 0.03 0.13 -0.04 2.97 3.10 1dt6A1 CYS 164 HB3 0.08 0.25 -0.24 -0.04 2.97 3.01 1dt6A1 ASP 165 H -0.04 0.20 0.15 -0.55 8.40 8.17 1dt6A1 ASP 165 HA -0.20 0.35 0.97 -0.75 4.63 5.00 1dt6A1 ASP 165 HB2 -0.08 0.02 0.08 -0.04 2.71 2.69 1dt6A1 ASP 165 HB3 -0.06 -0.06 0.23 -0.04 2.70 2.77 1dt6A1 PRO 166 HA -0.02 0.04 0.36 -0.51 4.44 4.31 1dt6A1 PRO 166 HB2 0.04 0.03 -0.10 -0.04 2.28 2.20 1dt6A1 PRO 166 HB3 0.20 0.07 -0.00 -0.04 2.02 2.24 1dt6A1 PRO 166 HG2 -0.28 0.09 -0.03 -0.04 2.03 1.78 1dt6A1 PRO 166 HG3 -0.01 0.09 -0.05 -0.04 2.03 2.01 1dt6A1 PRO 166 HD2 -0.48 0.07 0.16 -0.04 3.68 3.38 1dt6A1 PRO 166 HD3 -0.42 0.35 0.32 -0.04 3.65 3.86 1dt6A1 THR 167 H -0.13 0.14 -0.40 -0.55 8.28 7.34 1dt6A1 THR 167 HA -0.07 0.08 0.23 -0.75 4.39 3.87 1dt6A1 THR 167 HB -0.04 -0.02 -0.03 -0.04 4.32 4.19 1dt6A1 THR 167 HG23 -0.06 0.01 -0.07 -0.04 1.22 1.07 1dt6A1 PHE 168 H 0.07 0.22 -0.33 -0.55 8.34 7.75 1dt6A1 PHE 168 HA -0.13 0.13 0.48 -0.75 4.62 4.35 1dt6A1 PHE 168 HB2 -0.08 0.03 0.08 -0.04 3.15 3.13 1dt6A1 PHE 168 HB3 -0.10 -0.02 0.18 -0.04 3.06 3.08 1dt6A1 PHE 168 HD2 -0.09 -0.03 -0.02 -0.04 7.28 7.10 1dt6A1 PHE 168 HE2 -0.04 -0.02 -0.02 -0.04 7.38 7.27 1dt6A1 PHE 168 HZ 0.02 0.18 0.04 -0.04 7.32 7.52 1dt6A1 ILE 169 H 0.15 0.19 0.07 -0.55 8.25 8.12 1dt6A1 ILE 169 HA -0.54 -0.01 0.39 -0.75 4.18 3.27 1dt6A1 ILE 169 HB 0.05 0.03 0.12 -0.04 1.89 2.05 1dt6A1 ILE 169 HG12 -0.20 -0.01 -0.04 -0.04 1.49 1.20 1dt6A1 ILE 169 HG13 -0.32 -0.09 0.07 -0.04 1.21 0.84 1dt6A1 ILE 169 HG23 -0.17 0.04 -0.10 -0.04 0.93 0.65 1dt6A1 ILE 169 HD13 0.06 0.03 -0.13 -0.04 0.88 0.80 1dt6A1 LEU 170 H -0.17 0.56 -0.43 -0.55 8.37 7.78 1dt6A1 LEU 170 HA -0.23 0.01 0.38 -0.75 4.35 3.75 1dt6A1 LEU 170 HB2 -0.09 0.38 -0.05 -0.04 1.64 1.84 1dt6A1 LEU 170 HB3 -0.09 0.04 -0.13 -0.04 1.64 1.41 1dt6A1 LEU 170 HG -0.05 -0.06 -0.06 -0.04 1.64 1.44 1dt6A1 LEU 170 HD13 -0.10 -0.01 -0.10 -0.04 0.93 0.68 1dt6A1 LEU 170 HD23 0.07 0.00 -0.28 -0.04 0.89 0.64 1dt6A1 GLY 171 H -0.33 0.67 -0.31 -0.55 8.43 7.91 1dt6A1 GLY 171 HA2 -0.17 0.12 0.81 -0.51 4.01 4.26 1dt6A1 GLY 171 HA3 -0.26 0.07 0.32 -0.51 4.01 3.63 1dt6A1 CYS 172 H -0.49 0.25 -0.20 -0.55 8.50 7.51 1dt6A1 CYS 172 HA -0.27 0.01 0.45 -0.75 4.58 4.02 1dt6A1 CYS 172 HB2 -0.87 0.17 0.26 -0.04 2.97 2.48 1dt6A1 CYS 172 HB3 -1.25 -0.04 -0.07 -0.04 2.97 1.58 1dt6A1 ALA 173 H -0.36 0.51 0.02 -0.55 8.40 8.02 1dt6A1 ALA 173 HA 0.04 -0.02 0.35 -0.75 4.34 3.96 1dt6A1 ALA 173 HB3 -0.58 0.03 0.02 -0.04 1.41 0.84 1dt6A1 PRO 174 HA 0.19 -0.02 0.44 -0.51 4.44 4.54 1dt6A1 PRO 174 HB2 0.01 0.15 0.06 -0.04 2.28 2.46 1dt6A1 PRO 174 HB3 0.08 0.02 0.07 -0.04 2.02 2.16 1dt6A1 PRO 174 HG2 -0.02 0.16 -0.00 -0.04 2.03 2.13 1dt6A1 PRO 174 HG3 0.12 -0.05 -0.05 -0.04 2.03 2.01 1dt6A1 PRO 174 HD2 -0.15 0.06 -0.47 -0.04 3.68 3.08 1dt6A1 PRO 174 HD3 -0.29 0.04 -0.03 -0.04 3.65 3.34 1dt6A1 CYS 175 H 0.05 0.45 -0.30 -0.55 8.50 8.15 1dt6A1 CYS 175 HA 0.18 0.04 0.42 -0.75 4.58 4.46 1dt6A1 CYS 175 HB2 -0.01 0.21 0.15 -0.04 2.97 3.28 1dt6A1 CYS 175 HB3 0.31 0.02 0.07 -0.04 2.97 3.33 1dt6A1 ASN 176 H 0.28 0.61 -0.17 -0.55 8.53 8.70 1dt6A1 ASN 176 HA 0.26 -0.03 0.49 -0.75 4.76 4.73 1dt6A1 ASN 176 HB2 0.23 0.25 0.17 -0.04 2.88 3.49 1dt6A1 ASN 176 HB3 0.12 -0.02 -0.02 -0.04 2.79 2.83 1dt6A1 ASN 176 HD21 -0.02 0.54 0.12 -0.04 7.03 7.63 1dt6A1 ASN 176 HD22 0.36 0.01 -0.02 -0.04 7.74 8.05 1dt6A1 VAL 177 H 0.15 0.48 -0.15 -0.55 8.24 8.17 1dt6A1 VAL 177 HA 0.05 0.04 0.39 -0.75 4.13 3.85 1dt6A1 VAL 177 HB 0.10 0.15 0.15 -0.04 2.12 2.48 1dt6A1 VAL 177 HG13 -0.03 -0.02 -0.16 -0.04 0.97 0.72 1dt6A1 VAL 177 HG23 0.23 0.06 0.01 -0.04 0.95 1.20 1dt6A1 ILE 178 H -0.01 0.50 -0.18 -0.55 8.25 8.00 1dt6A1 ILE 178 HA -0.23 0.01 0.34 -0.75 4.18 3.55 1dt6A1 ILE 178 HB -0.38 0.14 0.02 -0.04 1.89 1.63 1dt6A1 ILE 178 HG12 -0.19 -0.07 -0.08 -0.04 1.49 1.11 1dt6A1 ILE 178 HG13 -0.09 0.17 -0.03 -0.04 1.21 1.21 1dt6A1 ILE 178 HG23 -0.90 -0.03 -0.16 -0.04 0.93 -0.20 1dt6A1 ILE 178 HD13 -0.18 -0.03 -0.21 -0.04 0.88 0.43 1dt6A1 CYS 179 H 0.07 0.32 -0.39 -0.55 8.50 7.96 1dt6A1 CYS 179 HA 0.03 -0.03 0.45 -0.75 4.58 4.27 1dt6A1 CYS 179 HB2 0.27 -0.00 0.32 -0.04 2.97 3.52 1dt6A1 CYS 179 HB3 0.32 0.11 0.03 -0.04 2.97 3.38 1dt6A1 SER 180 H 0.00 0.75 -0.07 -0.55 8.46 8.60 1dt6A1 SER 180 HA -0.02 0.04 0.31 -0.75 4.49 4.06 1dt6A1 SER 180 HB2 -0.03 0.02 0.08 -0.04 3.95 3.99 1dt6A1 SER 180 HB3 -0.05 0.08 0.15 -0.04 3.93 4.07 1dt6A1 VAL 181 H -0.11 0.50 -0.05 -0.55 8.24 8.04 1dt6A1 VAL 181 HA -0.02 0.20 0.63 -0.75 4.13 4.18 1dt6A1 VAL 181 HB -0.03 0.00 0.13 -0.04 2.12 2.18 1dt6A1 VAL 181 HG13 -0.08 0.06 0.02 -0.04 0.97 0.93 1dt6A1 VAL 181 HG23 -0.13 -0.01 -0.13 -0.04 0.95 0.64 1dt6A1 ILE 182 H -0.20 0.29 -0.48 -0.55 8.25 7.32 1dt6A1 ILE 182 HA 0.05 0.01 1.09 -0.75 4.18 4.58 1dt6A1 ILE 182 HB -0.73 0.20 0.11 -0.04 1.89 1.43 1dt6A1 ILE 182 HG12 -0.31 -0.06 -0.05 -0.04 1.49 1.04 1dt6A1 ILE 182 HG13 -0.38 0.03 -0.23 -0.04 1.21 0.59 1dt6A1 ILE 182 HG23 -0.21 -0.05 -0.01 -0.04 0.93 0.63 1dt6A1 ILE 182 HD13 -0.67 -0.02 -0.02 -0.04 0.88 0.12 1dt6A1 PHE 183 H -0.02 0.44 0.22 -0.55 8.34 8.43 1dt6A1 PHE 183 HA -0.06 0.16 0.95 -0.75 4.62 4.92 1dt6A1 PHE 183 HB2 0.15 0.02 0.14 -0.04 3.15 3.42 1dt6A1 PHE 183 HB3 0.11 -0.03 0.06 -0.04 3.06 3.17 1dt6A1 PHE 183 HD2 0.21 0.06 -0.06 -0.04 7.28 7.45 1dt6A1 PHE 183 HE2 0.45 -0.03 -0.04 -0.04 7.38 7.71 1dt6A1 PHE 183 HZ 0.46 -0.04 -0.07 -0.04 7.32 7.63 1dt6A1 HIS 184 H 0.19 0.23 0.26 -0.55 8.41 8.54 1dt6A1 HIS 184 HA 0.08 0.27 0.44 -0.75 4.63 4.66 1dt6A1 HIS 184 HB2 0.20 0.03 -0.09 -0.04 3.26 3.36 1dt6A1 HIS 184 HB3 0.14 -0.02 0.25 -0.04 3.20 3.53 1dt6A1 HIS 184 HD2 0.03 -0.06 0.02 -0.04 6.97 6.91 1dt6A1 HIS 184 HE1 0.02 -0.02 0.09 -0.04 7.75 7.80 1dt6A1 ASN 185 H 0.23 0.00 -0.22 -0.55 8.53 8.00 1dt6A1 ASN 185 HA -0.05 0.19 0.82 -0.75 4.76 4.96 1dt6A1 ASN 185 HB2 0.06 0.02 -0.07 -0.04 2.88 2.85 1dt6A1 ASN 185 HB3 -0.32 -0.03 -0.13 -0.04 2.79 2.28 1dt6A1 ASN 185 HD21 -0.11 -0.04 0.03 -0.04 7.03 6.87 1dt6A1 ASN 185 HD22 -0.38 -0.03 -0.03 -0.04 7.74 7.26 1dt6A1 ARG 186 H -0.29 0.27 0.19 -0.55 8.46 8.08 1dt6A1 ARG 186 HA -0.25 0.15 0.69 -0.75 4.34 4.18 1dt6A1 ARG 186 HB2 -0.09 -0.01 0.09 -0.04 1.90 1.85 1dt6A1 ARG 186 HB3 -0.10 0.07 -0.13 -0.04 1.80 1.59 1dt6A1 ARG 186 HG2 -0.13 -0.02 -0.04 -0.04 1.67 1.44 1dt6A1 ARG 186 HG3 -0.15 0.00 -0.41 -0.04 1.67 1.07 1dt6A1 ARG 186 HD2 -0.05 0.02 -0.09 -0.04 3.22 3.06 1dt6A1 ARG 186 HD3 -0.07 -0.02 -0.09 -0.04 3.22 3.00 1dt6A1 PHE 187 H -0.32 0.18 0.12 -0.55 8.34 7.77 1dt6A1 PHE 187 HA -0.12 0.23 1.07 -0.75 4.62 5.04 1dt6A1 PHE 187 HB2 -1.66 0.05 -0.01 -0.04 3.15 1.49 1dt6A1 PHE 187 HB3 -0.18 -0.08 0.12 -0.04 3.06 2.87 1dt6A1 PHE 187 HD2 -0.18 -0.02 -0.06 -0.04 7.28 6.98 1dt6A1 PHE 187 HE2 0.33 0.04 -0.11 -0.04 7.38 7.60 1dt6A1 PHE 187 HZ 0.28 0.05 -0.12 -0.04 7.32 7.50 1dt6A1 ASP 188 H 0.15 0.08 0.19 -0.55 8.40 8.27 1dt6A1 ASP 188 HA -0.05 0.19 0.59 -0.75 4.63 4.60 1dt6A1 ASP 188 HB2 0.05 0.13 0.14 -0.04 2.71 2.99 1dt6A1 ASP 188 HB3 0.13 -0.15 0.17 -0.04 2.70 2.81 1dt6A1 TYR 189 H 0.01 0.24 0.17 -0.55 8.29 8.16 1dt6A1 TYR 189 HA 0.37 0.13 0.39 -0.75 4.56 4.69 1dt6A1 TYR 189 HB2 0.18 0.02 0.06 -0.04 3.06 3.28 1dt6A1 TYR 189 HB3 0.38 0.03 0.11 -0.04 2.98 3.46 1dt6A1 TYR 189 HD2 0.16 0.01 -0.11 -0.04 7.15 7.17 1dt6A1 TYR 189 HE2 0.03 0.07 -0.10 -0.04 6.85 6.81 1dt6A1 LYS 190 H 0.22 -0.13 -0.56 -0.55 8.42 7.39 1dt6A1 LYS 190 HA 0.17 0.27 0.77 -0.75 4.32 4.76 1dt6A1 LYS 190 HB2 0.10 -0.06 0.00 -0.04 1.87 1.86 1dt6A1 LYS 190 HB3 0.08 0.01 0.02 -0.04 1.79 1.86 1dt6A1 LYS 190 HG2 0.05 0.03 -0.02 -0.04 1.46 1.48 1dt6A1 LYS 190 HG3 0.07 0.09 -0.05 -0.04 1.46 1.53 1dt6A1 LYS 190 HD2 0.09 0.10 -0.10 -0.04 1.69 1.74 1dt6A1 LYS 190 HD3 0.17 -0.21 -0.23 -0.04 1.68 1.36 1dt6A1 LYS 190 HE2 0.05 -0.06 -0.01 -0.04 2.99 2.92 1dt6A1 LYS 190 HE3 0.04 0.06 -0.02 -0.04 2.99 3.03 1dt6A1 ASP 191 H 0.24 0.14 -0.23 -0.55 8.40 8.01 1dt6A1 ASP 191 HA 0.14 0.04 0.45 -0.75 4.63 4.51 1dt6A1 ASP 191 HB2 0.20 -0.06 0.21 -0.04 2.71 3.01 1dt6A1 ASP 191 HB3 0.31 0.20 0.23 -0.04 2.70 3.41 1dt6A1 GLU 192 H 0.10 0.19 0.23 -0.55 8.60 8.58 1dt6A1 GLU 192 HA 0.07 0.13 0.30 -0.75 4.29 4.04 1dt6A1 GLU 192 HB2 0.05 0.07 0.19 -0.04 2.09 2.36 1dt6A1 GLU 192 HB3 0.06 -0.09 0.15 -0.04 1.99 2.07 1dt6A1 GLU 192 HG2 0.02 0.03 0.00 -0.04 2.34 2.35 1dt6A1 GLU 192 HG3 0.01 -0.01 -0.16 -0.04 2.34 2.15 1dt6A1 GLU 193 H 0.11 0.12 -0.05 -0.55 8.60 8.23 1dt6A1 GLU 193 HA 0.15 0.08 0.36 -0.75 4.29 4.13 1dt6A1 GLU 193 HB2 0.13 0.00 0.10 -0.04 2.09 2.28 1dt6A1 GLU 193 HB3 0.14 0.00 -0.02 -0.04 1.99 2.07 1dt6A1 GLU 193 HG2 0.49 0.02 -0.05 -0.04 2.34 2.76 1dt6A1 GLU 193 HG3 0.30 0.01 0.06 -0.04 2.34 2.66 1dt6A1 PHE 194 H 0.18 0.13 -0.45 -0.55 8.34 7.66 1dt6A1 PHE 194 HA -0.38 0.06 0.44 -0.75 4.62 3.98 1dt6A1 PHE 194 HB2 -0.05 -0.13 0.06 -0.04 3.15 3.00 1dt6A1 PHE 194 HB3 0.07 0.22 0.10 -0.04 3.06 3.41 1dt6A1 PHE 194 HD2 -0.10 0.07 -0.09 -0.04 7.28 7.11 1dt6A1 PHE 194 HE2 0.15 0.03 -0.14 -0.04 7.38 7.38 1dt6A1 PHE 194 HZ 0.13 0.03 -0.09 -0.04 7.32 7.34 1dt6A1 LEU 195 H 0.13 0.56 -0.03 -0.55 8.37 8.48 1dt6A1 LEU 195 HA -0.17 0.01 0.32 -0.75 4.35 3.76 1dt6A1 LEU 195 HB2 0.04 0.09 0.01 -0.04 1.64 1.73 1dt6A1 LEU 195 HB3 0.06 -0.03 0.00 -0.04 1.64 1.63 1dt6A1 LEU 195 HG 0.22 -0.01 -0.18 -0.04 1.64 1.63 1dt6A1 LEU 195 HD13 0.11 -0.03 -0.48 -0.04 0.93 0.48 1dt6A1 LEU 195 HD23 0.31 0.05 -0.03 -0.04 0.89 1.17 1dt6A1 LYS 196 H -0.01 0.43 -0.54 -0.55 8.42 7.74 1dt6A1 LYS 196 HA -0.10 0.02 0.45 -0.75 4.32 3.94 1dt6A1 LYS 196 HB2 -0.04 0.08 0.04 -0.04 1.87 1.91 1dt6A1 LYS 196 HB3 0.05 0.08 0.04 -0.04 1.79 1.91 1dt6A1 LYS 196 HG2 -0.55 -0.03 -0.02 -0.04 1.46 0.82 1dt6A1 LYS 196 HG3 -0.22 -0.01 -0.02 -0.04 1.46 1.18 1dt6A1 LYS 196 HD2 -0.18 -0.04 -0.06 -0.04 1.69 1.37 1dt6A1 LYS 196 HD3 -0.94 0.01 -0.03 -0.04 1.68 0.68 1dt6A1 LYS 196 HE2 -0.29 -0.00 -0.03 -0.04 2.99 2.63 1dt6A1 LYS 196 HE3 -0.43 0.00 -0.03 -0.04 2.99 2.49 1dt6A1 LEU 197 H -0.06 0.53 0.01 -0.55 8.37 8.31 1dt6A1 LEU 197 HA -0.09 -0.03 0.36 -0.75 4.35 3.84 1dt6A1 LEU 197 HB2 -0.67 0.08 0.23 -0.04 1.64 1.24 1dt6A1 LEU 197 HB3 -0.48 0.08 0.14 -0.04 1.64 1.34 1dt6A1 LEU 197 HG -1.38 -0.02 0.03 -0.04 1.64 0.23 1dt6A1 LEU 197 HD13 -0.67 -0.01 -0.05 -0.04 0.93 0.17 1dt6A1 LEU 197 HD23 -0.58 -0.02 -0.05 -0.04 0.89 0.21 1dt6A1 MET 198 H -0.34 0.50 -0.25 -0.55 8.47 7.83 1dt6A1 MET 198 HA -0.20 0.00 0.40 -0.75 4.52 3.97 1dt6A1 MET 198 HB2 -0.26 0.10 0.05 -0.04 2.15 2.01 1dt6A1 MET 198 HB3 -0.24 -0.01 -0.06 -0.04 2.03 1.68 1dt6A1 MET 198 HG2 -0.51 -0.04 -0.06 -0.04 2.63 1.98 1dt6A1 MET 198 HG3 -0.90 0.15 -0.09 -0.04 2.56 1.67 1dt6A1 MET 198 HE3 -0.59 -0.02 -0.17 -0.04 2.10 1.29 1dt6A1 GLU 199 H -0.09 0.65 -0.06 -0.55 8.60 8.55 1dt6A1 GLU 199 HA 0.00 -0.03 0.35 -0.75 4.29 3.86 1dt6A1 GLU 199 HB2 -0.05 0.19 0.24 -0.04 2.09 2.43 1dt6A1 GLU 199 HB3 -0.06 0.03 0.08 -0.04 1.99 2.00 1dt6A1 GLU 199 HG2 -0.02 -0.02 0.06 -0.04 2.34 2.33 1dt6A1 GLU 199 HG3 -0.04 -0.03 0.01 -0.04 2.34 2.24 1dt6A1 SER 200 H -0.02 0.50 -0.41 -0.55 8.46 7.98 1dt6A1 SER 200 HA -0.00 -0.04 0.46 -0.75 4.49 4.16 1dt6A1 SER 200 HB2 0.02 0.12 0.21 -0.04 3.95 4.26 1dt6A1 SER 200 HB3 0.05 -0.06 0.04 -0.04 3.93 3.92 1dt6A1 LEU 201 H -0.05 0.50 0.13 -0.55 8.37 8.41 1dt6A1 LEU 201 HA 0.01 -0.04 0.34 -0.75 4.35 3.90 1dt6A1 LEU 201 HB2 -0.04 0.07 0.12 -0.04 1.64 1.75 1dt6A1 LEU 201 HB3 0.02 -0.02 -0.01 -0.04 1.64 1.58 1dt6A1 LEU 201 HG -0.17 0.19 0.09 -0.04 1.64 1.71 1dt6A1 LEU 201 HD13 -0.06 -0.01 -0.10 -0.04 0.93 0.72 1dt6A1 LEU 201 HD23 -0.05 -0.03 0.02 -0.04 0.89 0.79 1dt6A1 HIS 202 H 0.08 0.58 -0.39 -0.55 8.41 8.12 1dt6A1 HIS 202 HA -0.01 0.02 0.47 -0.75 4.63 4.35 1dt6A1 HIS 202 HB2 -0.05 -0.01 0.01 -0.04 3.26 3.16 1dt6A1 HIS 202 HB3 -0.04 0.10 0.04 -0.04 3.20 3.26 1dt6A1 HIS 202 HD2 -0.03 -0.02 -0.07 -0.04 6.97 6.81 1dt6A1 HIS 202 HE1 -0.01 0.02 -0.03 -0.04 7.75 7.69 1dt6A1 GLU 203 H -0.02 0.57 0.11 -0.55 8.60 8.71 1dt6A1 GLU 203 HA -0.23 0.00 0.43 -0.75 4.29 3.74 1dt6A1 GLU 203 HB2 -0.04 0.04 0.20 -0.04 2.09 2.25 1dt6A1 GLU 203 HB3 -0.06 -0.08 0.03 -0.04 1.99 1.83 1dt6A1 GLU 203 HG2 -0.12 -0.06 0.07 -0.04 2.34 2.19 1dt6A1 GLU 203 HG3 -0.06 0.36 0.20 -0.04 2.34 2.80 1dt6A1 ASN 204 H -0.01 0.54 -0.14 -0.55 8.53 8.38 1dt6A1 ASN 204 HA -0.00 -0.02 0.32 -0.75 4.76 4.31 1dt6A1 ASN 204 HB2 0.03 0.15 0.05 -0.04 2.88 3.07 1dt6A1 ASN 204 HB3 0.04 -0.00 -0.08 -0.04 2.79 2.70 1dt6A1 ASN 204 HD21 0.02 -0.08 -0.02 -0.04 7.03 6.90 1dt6A1 ASN 204 HD22 0.03 0.04 -0.06 -0.04 7.74 7.71 1dt6A1 VAL 205 H 0.05 0.49 -0.06 -0.55 8.24 8.17 1dt6A1 VAL 205 HA 0.09 -0.00 0.33 -0.75 4.13 3.80 1dt6A1 VAL 205 HB 0.13 0.07 0.13 -0.04 2.12 2.41 1dt6A1 VAL 205 HG13 0.13 -0.02 -0.04 -0.04 0.97 1.00 1dt6A1 VAL 205 HG23 0.09 0.09 0.11 -0.04 0.95 1.20 1dt6A1 GLU 206 H -0.03 0.56 -0.26 -0.55 8.60 8.32 1dt6A1 GLU 206 HA -0.00 0.04 0.53 -0.75 4.29 4.10 1dt6A1 GLU 206 HB2 -0.26 0.22 0.17 -0.04 2.09 2.18 1dt6A1 GLU 206 HB3 -0.13 -0.04 0.03 -0.04 1.99 1.81 1dt6A1 GLU 206 HG2 -0.04 -0.05 0.09 -0.04 2.34 2.30 1dt6A1 GLU 206 HG3 0.03 0.00 0.05 -0.04 2.34 2.38 1dt6A1 LEU 207 H -0.04 0.70 -0.03 -0.55 8.37 8.46 1dt6A1 LEU 207 HA -0.04 0.01 0.55 -0.75 4.35 4.12 1dt6A1 LEU 207 HB2 -0.02 0.07 0.14 -0.04 1.64 1.80 1dt6A1 LEU 207 HB3 -0.01 -0.11 0.23 -0.04 1.64 1.71 1dt6A1 LEU 207 HG -0.05 0.17 0.04 -0.04 1.64 1.76 1dt6A1 LEU 207 HD13 -0.01 -0.05 0.02 -0.04 0.93 0.84 1dt6A1 LEU 207 HD23 -0.02 -0.02 -0.02 -0.04 0.89 0.78 1dt6A1 LEU 208 H -0.02 0.28 -0.84 -0.55 8.37 7.25 1dt6A1 LEU 208 HA -0.04 0.13 1.03 -0.75 4.35 4.72 1dt6A1 LEU 208 HB2 0.06 0.11 0.07 -0.04 1.64 1.84 1dt6A1 LEU 208 HB3 0.04 -0.06 0.14 -0.04 1.64 1.72 1dt6A1 LEU 208 HG 0.02 0.38 -0.25 -0.04 1.64 1.75 1dt6A1 LEU 208 HD13 0.07 -0.07 -0.13 -0.04 0.93 0.76 1dt6A1 LEU 208 HD23 0.00 0.02 -0.02 -0.04 0.89 0.85 1dt6A1 GLY 209 H -0.08 0.18 0.03 -0.55 8.43 8.01 1dt6A1 GLY 209 HA2 -0.22 0.08 0.35 -0.51 4.01 3.70 1dt6A1 GLY 209 HA3 -0.18 -0.08 0.34 -0.51 4.01 3.58 1dt6A1 THR 210 H -0.27 0.00 0.21 -0.55 8.28 7.67 1dt6A1 THR 210 HA -0.58 0.03 0.13 -0.75 4.39 3.22 1dt6A1 THR 210 HB -0.15 -0.01 -0.01 -0.04 4.32 4.11 1dt6A1 THR 210 HG23 -0.09 0.03 0.06 -0.04 1.22 1.19 1dt6A1 PRO 211 HA 0.07 0.18 0.38 -0.51 4.44 4.56 1dt6A1 PRO 211 HB2 0.04 -0.05 0.07 -0.04 2.28 2.29 1dt6A1 PRO 211 HB3 0.11 0.06 0.09 -0.04 2.02 2.24 1dt6A1 PRO 211 HG2 0.16 -0.02 0.02 -0.04 2.03 2.15 1dt6A1 PRO 211 HG3 0.55 0.12 0.02 -0.04 2.03 2.68 1dt6A1 PRO 211 HD2 -0.02 0.01 0.11 -0.04 3.68 3.75 1dt6A1 PRO 211 HD3 -0.09 0.13 -0.02 -0.04 3.65 3.63 1dt6A1 LEU 223 HA -0.57 -0.08 0.18 -0.75 4.35 3.13 1dt6A1 LEU 223 HB2 -0.10 0.02 0.13 -0.04 1.64 1.66 1dt6A1 LEU 223 HB3 -0.01 -0.01 0.14 -0.04 1.64 1.72 1dt6A1 LEU 223 HG -0.01 0.01 0.05 -0.04 1.64 1.65 1dt6A1 LEU 223 HD13 0.06 0.00 0.03 -0.04 0.93 0.99 1dt6A1 LEU 223 HD23 0.19 -0.01 0.04 -0.04 0.89 1.07 1dt6A1 ASP 224 H -0.45 0.13 0.08 -0.55 8.40 7.60 1dt6A1 ASP 224 HA -0.27 0.27 0.90 -0.75 4.63 4.78 1dt6A1 ASP 224 HB2 -0.20 -0.03 0.12 -0.04 2.71 2.56 1dt6A1 ASP 224 HB3 -0.19 -0.00 0.19 -0.04 2.70 2.66 1dt6A1 TYR 225 H -1.58 0.12 -0.23 -0.55 8.29 6.05 1dt6A1 TYR 225 HA 0.04 -0.02 0.52 -0.75 4.56 4.34 1dt6A1 TYR 225 HB2 0.06 -0.03 -0.03 -0.04 3.06 3.02 1dt6A1 TYR 225 HB3 0.00 0.01 0.09 -0.04 2.98 3.04 1dt6A1 TYR 225 HD2 0.01 0.02 0.04 -0.04 7.15 7.18 1dt6A1 TYR 225 HE2 0.01 0.04 -0.01 -0.04 6.85 6.85 1dt6A1 PHE 226 H 0.27 0.04 0.30 -0.55 8.34 8.39 1dt6A1 PHE 226 HA 0.08 0.25 0.69 -0.75 4.62 4.89 1dt6A1 PHE 226 HB2 0.03 0.01 0.19 -0.04 3.15 3.34 1dt6A1 PHE 226 HB3 0.03 -0.10 0.01 -0.04 3.06 2.96 1dt6A1 PHE 226 HD2 0.02 0.02 -0.03 -0.04 7.28 7.25 1dt6A1 PHE 226 HE2 0.00 0.01 0.00 -0.04 7.38 7.36 1dt6A1 PHE 226 HZ -0.00 0.00 0.01 -0.04 7.32 7.29 1dt6A1 PRO 227 HA 0.24 -0.21 0.45 -0.51 4.44 4.41 1dt6A1 PRO 227 HB2 0.21 0.02 0.07 -0.04 2.28 2.54 1dt6A1 PRO 227 HB3 0.30 0.07 -0.18 -0.04 2.02 2.16 1dt6A1 PRO 227 HG2 0.09 -0.01 -0.23 -0.04 2.03 1.84 1dt6A1 PRO 227 HG3 0.05 0.12 -0.11 -0.04 2.03 2.04 1dt6A1 PRO 227 HD2 0.05 0.04 0.38 -0.04 3.68 4.12 1dt6A1 PRO 227 HD3 0.07 0.30 -0.53 -0.04 3.65 3.45 1dt6A1 GLY 228 H 0.10 0.39 0.02 -0.55 8.43 8.38 1dt6A1 GLY 228 HA2 0.05 0.04 0.39 -0.51 4.01 3.98 1dt6A1 GLY 228 HA3 0.05 0.14 0.31 -0.51 4.01 4.00 1dt6A1 ILE 229 H 0.14 -0.07 -0.83 -0.55 8.25 6.94 1dt6A1 ILE 229 HA 0.05 0.11 0.38 -0.75 4.18 3.97 1dt6A1 ILE 229 HB 0.09 -0.05 0.04 -0.04 1.89 1.93 1dt6A1 ILE 229 HG12 0.17 -0.15 -0.02 -0.04 1.49 1.45 1dt6A1 ILE 229 HG13 0.18 -0.03 0.06 -0.04 1.21 1.38 1dt6A1 ILE 229 HG23 0.02 0.04 0.03 -0.04 0.93 0.97 1dt6A1 ILE 229 HD13 0.10 0.05 0.02 -0.04 0.88 1.00 1dt6A1 HIS 230 H 0.18 0.81 0.03 -0.55 8.41 8.89 1dt6A1 HIS 230 HA 0.02 0.12 0.60 -0.75 4.63 4.62 1dt6A1 HIS 230 HB2 0.05 -0.01 0.09 -0.04 3.26 3.36 1dt6A1 HIS 230 HB3 0.07 0.08 0.17 -0.04 3.20 3.47 1dt6A1 HIS 230 HD2 0.04 -0.01 -0.12 -0.04 6.97 6.84 1dt6A1 HIS 230 HE1 0.02 0.02 -0.06 -0.04 7.75 7.68 1dt6A1 LYS 231 H 0.01 0.23 -0.06 -0.55 8.42 8.03 1dt6A1 LYS 231 HA -0.29 0.09 0.46 -0.75 4.32 3.82 1dt6A1 LYS 231 HB2 -0.02 -0.00 0.05 -0.04 1.87 1.86 1dt6A1 LYS 231 HB3 -0.03 0.04 0.05 -0.04 1.79 1.82 1dt6A1 LYS 231 HG2 -0.06 -0.03 -0.06 -0.04 1.46 1.28 1dt6A1 LYS 231 HG3 -0.05 0.00 0.03 -0.04 1.46 1.40 1dt6A1 LYS 231 HD2 -0.02 0.01 -0.02 -0.04 1.69 1.62 1dt6A1 LYS 231 HD3 -0.02 0.00 -0.04 -0.04 1.68 1.59 1dt6A1 LYS 231 HE2 -0.03 -0.01 -0.04 -0.04 2.99 2.88 1dt6A1 LYS 231 HE3 -0.02 0.01 -0.04 -0.04 2.99 2.91 1dt6A1 THR 232 H -0.03 0.39 -0.27 -0.55 8.28 7.81 1dt6A1 THR 232 HA -0.04 0.03 0.40 -0.75 4.39 4.03 1dt6A1 THR 232 HB -0.02 -0.04 0.01 -0.04 4.32 4.23 1dt6A1 THR 232 HG23 -0.01 0.09 0.07 -0.04 1.22 1.33 1dt6A1 LEU 233 H -0.04 0.38 -0.17 -0.55 8.37 7.99 1dt6A1 LEU 233 HA -0.01 0.01 0.32 -0.75 4.35 3.91 1dt6A1 LEU 233 HB2 -0.03 0.04 0.15 -0.04 1.64 1.76 1dt6A1 LEU 233 HB3 0.01 -0.03 -0.00 -0.04 1.64 1.58 1dt6A1 LEU 233 HG 0.02 0.39 0.22 -0.04 1.64 2.24 1dt6A1 LEU 233 HD13 0.06 -0.00 -0.02 -0.04 0.93 0.93 1dt6A1 LEU 233 HD23 0.01 -0.01 0.02 -0.04 0.89 0.86 1dt6A1 LEU 234 H -0.16 0.45 -0.16 -0.55 8.37 7.95 1dt6A1 LEU 234 HA -0.04 -0.04 0.29 -0.75 4.35 3.81 1dt6A1 LEU 234 HB2 -0.30 0.15 0.14 -0.04 1.64 1.59 1dt6A1 LEU 234 HB3 -0.11 0.09 0.02 -0.04 1.64 1.60 1dt6A1 LEU 234 HG -0.08 -0.01 -0.02 -0.04 1.64 1.49 1dt6A1 LEU 234 HD13 -0.01 -0.01 -0.03 -0.04 0.93 0.83 1dt6A1 LEU 234 HD23 -0.01 -0.01 -0.04 -0.04 0.89 0.79 1dt6A1 LYS 235 H -0.06 0.45 -0.41 -0.55 8.42 7.85 1dt6A1 LYS 235 HA -0.01 -0.04 0.40 -0.75 4.32 3.92 1dt6A1 LYS 235 HB2 -0.03 0.02 0.15 -0.04 1.87 1.97 1dt6A1 LYS 235 HB3 -0.03 0.22 0.32 -0.04 1.79 2.26 1dt6A1 LYS 235 HG2 -0.03 -0.03 0.01 -0.04 1.46 1.37 1dt6A1 LYS 235 HG3 -0.01 -0.04 -0.20 -0.04 1.46 1.18 1dt6A1 LYS 235 HD2 -0.02 -0.00 0.00 -0.04 1.69 1.63 1dt6A1 LYS 235 HD3 -0.03 -0.03 -0.02 -0.04 1.68 1.56 1dt6A1 LYS 235 HE2 -0.01 0.02 0.04 -0.04 2.99 3.01 1dt6A1 LYS 235 HE3 -0.00 -0.02 -0.01 -0.04 2.99 2.92 1dt6A1 ASN 236 H -0.01 0.63 0.14 -0.55 8.53 8.75 1dt6A1 ASN 236 HA 0.06 -0.07 0.40 -0.75 4.76 4.39 1dt6A1 ASN 236 HB2 0.00 0.09 0.17 -0.04 2.88 3.10 1dt6A1 ASN 236 HB3 0.02 -0.06 -0.03 -0.04 2.79 2.68 1dt6A1 ASN 236 HD21 -0.03 -0.00 -0.01 -0.04 7.03 6.95 1dt6A1 ASN 236 HD22 -0.02 -0.02 -0.02 -0.04 7.74 7.64 1dt6A1 ALA 237 H 0.01 1.12 0.02 -0.55 8.40 9.01 1dt6A1 ALA 237 HA 0.02 -0.05 0.37 -0.75 4.34 3.94 1dt6A1 ALA 237 HB3 0.02 0.00 0.01 -0.04 1.41 1.39 1dt6A1 ASP 238 H 0.02 0.68 -0.28 -0.55 8.40 8.28 1dt6A1 ASP 238 HA 0.02 -0.07 0.37 -0.75 4.63 4.21 1dt6A1 ASP 238 HB2 0.03 0.42 0.36 -0.04 2.71 3.48 1dt6A1 ASP 238 HB3 0.05 -0.11 0.01 -0.04 2.70 2.60 1dt6A1 TYR 239 H 0.14 0.50 0.01 -0.55 8.29 8.39 1dt6A1 TYR 239 HA 0.01 -0.03 0.40 -0.75 4.56 4.18 1dt6A1 TYR 239 HB2 -0.02 -0.01 0.08 -0.04 3.06 3.08 1dt6A1 TYR 239 HB3 -0.03 0.07 0.15 -0.04 2.98 3.12 1dt6A1 TYR 239 HD2 -0.03 0.04 -0.05 -0.04 7.15 7.07 1dt6A1 TYR 239 HE2 -0.03 -0.03 -0.17 -0.04 6.85 6.58 1dt6A1 ILE 240 H 0.02 0.65 -0.05 -0.55 8.25 8.32 1dt6A1 ILE 240 HA -0.27 -0.04 0.40 -0.75 4.18 3.52 1dt6A1 ILE 240 HB -0.03 0.13 0.22 -0.04 1.89 2.16 1dt6A1 ILE 240 HG12 -0.12 -0.04 0.09 -0.04 1.49 1.38 1dt6A1 ILE 240 HG13 -0.00 0.23 0.06 -0.04 1.21 1.46 1dt6A1 ILE 240 HG23 -0.11 -0.02 -0.06 -0.04 0.93 0.70 1dt6A1 ILE 240 HD13 -0.02 -0.02 -0.06 -0.04 0.88 0.74 1dt6A1 LYS 241 H -0.02 0.69 0.04 -0.55 8.42 8.58 1dt6A1 LYS 241 HA 0.01 -0.08 0.29 -0.75 4.32 3.78 1dt6A1 LYS 241 HB2 0.01 0.07 0.10 -0.04 1.87 2.00 1dt6A1 LYS 241 HB3 0.01 0.12 0.08 -0.04 1.79 1.95 1dt6A1 LYS 241 HG2 0.01 -0.06 -0.08 -0.04 1.46 1.29 1dt6A1 LYS 241 HG3 0.01 -0.05 0.05 -0.04 1.46 1.43 1dt6A1 LYS 241 HD2 0.01 0.02 -0.03 -0.04 1.69 1.65 1dt6A1 LYS 241 HD3 0.02 0.04 -0.05 -0.04 1.68 1.64 1dt6A1 LYS 241 HE2 0.01 -0.02 -0.05 -0.04 2.99 2.89 1dt6A1 LYS 241 HE3 0.01 0.04 -0.09 -0.04 2.99 2.90 1dt6A1 ASN 242 H -0.05 0.51 -0.48 -0.55 8.53 7.97 1dt6A1 ASN 242 HA -0.03 -0.02 0.58 -0.75 4.76 4.54 1dt6A1 ASN 242 HB2 -0.05 0.19 0.27 -0.04 2.88 3.25 1dt6A1 ASN 242 HB3 -0.04 -0.09 0.05 -0.04 2.79 2.67 1dt6A1 ASN 242 HD21 0.02 -0.03 -0.01 -0.04 7.03 6.97 1dt6A1 ASN 242 HD22 0.01 -0.04 -0.00 -0.04 7.74 7.68 1dt6A1 PHE 243 H -0.21 0.56 0.21 -0.55 8.34 8.34 1dt6A1 PHE 243 HA -0.24 -0.07 0.36 -0.75 4.62 3.91 1dt6A1 PHE 243 HB2 -0.76 0.03 0.18 -0.04 3.15 2.57 1dt6A1 PHE 243 HB3 -0.37 0.09 0.20 -0.04 3.06 2.94 1dt6A1 PHE 243 HD2 -0.20 0.02 -0.16 -0.04 7.28 6.90 1dt6A1 PHE 243 HE2 -0.11 -0.05 -0.12 -0.04 7.38 7.07 1dt6A1 PHE 243 HZ -0.66 -0.04 -0.10 -0.04 7.32 6.48 1dt6A1 ILE 244 H 0.08 0.58 -0.33 -0.55 8.25 8.03 1dt6A1 ILE 244 HA 0.21 -0.01 0.39 -0.75 4.18 4.02 1dt6A1 ILE 244 HB 0.08 0.12 0.07 -0.04 1.89 2.12 1dt6A1 ILE 244 HG12 0.42 -0.03 -0.05 -0.04 1.49 1.79 1dt6A1 ILE 244 HG13 0.12 0.07 -0.05 -0.04 1.21 1.31 1dt6A1 ILE 244 HG23 0.18 -0.02 -0.11 -0.04 0.93 0.94 1dt6A1 ILE 244 HD13 0.11 -0.01 -0.19 -0.04 0.88 0.76 1dt6A1 MET 245 H -0.00 0.57 0.12 -0.55 8.47 8.61 1dt6A1 MET 245 HA 0.01 -0.08 0.46 -0.75 4.52 4.15 1dt6A1 MET 245 HB2 -0.00 0.14 0.29 -0.04 2.15 2.54 1dt6A1 MET 245 HB3 -0.02 0.04 0.19 -0.04 2.03 2.20 1dt6A1 MET 245 HG2 -0.00 -0.01 0.04 -0.04 2.63 2.62 1dt6A1 MET 245 HG3 -0.00 -0.09 0.07 -0.04 2.56 2.50 1dt6A1 MET 245 HE3 0.00 0.01 0.00 -0.04 2.10 2.07 1dt6A1 GLU 246 H -0.13 0.68 -0.34 -0.55 8.60 8.27 1dt6A1 GLU 246 HA -0.08 -0.01 0.42 -0.75 4.29 3.87 1dt6A1 GLU 246 HB2 -0.16 -0.02 -0.02 -0.04 2.09 1.85 1dt6A1 GLU 246 HB3 -0.33 0.17 0.05 -0.04 1.99 1.85 1dt6A1 GLU 246 HG2 -0.14 -0.02 -0.04 -0.04 2.34 2.10 1dt6A1 GLU 246 HG3 -0.09 -0.03 0.06 -0.04 2.34 2.23 1dt6A1 LYS 247 H -0.25 0.56 -0.11 -0.55 8.42 8.07 1dt6A1 LYS 247 HA -0.17 0.02 0.58 -0.75 4.32 4.00 1dt6A1 LYS 247 HB2 -0.59 0.19 0.25 -0.04 1.87 1.68 1dt6A1 LYS 247 HB3 -0.41 -0.02 0.01 -0.04 1.79 1.33 1dt6A1 LYS 247 HG2 -1.27 -0.04 0.02 -0.04 1.46 0.14 1dt6A1 LYS 247 HG3 -0.31 -0.01 0.06 -0.04 1.46 1.15 1dt6A1 LYS 247 HD2 -0.45 -0.05 -0.11 -0.04 1.69 1.04 1dt6A1 LYS 247 HD3 -0.97 0.12 0.02 -0.04 1.68 0.81 1dt6A1 LYS 247 HE2 -0.14 -0.02 -0.05 -0.04 2.99 2.74 1dt6A1 LYS 247 HE3 -0.14 -0.00 -0.04 -0.04 2.99 2.76 1dt6A1 VAL 248 H -0.04 0.40 -0.03 -0.55 8.24 8.03 1dt6A1 VAL 248 HA 0.09 0.04 0.42 -0.75 4.13 3.92 1dt6A1 VAL 248 HB 0.04 0.09 0.21 -0.04 2.12 2.41 1dt6A1 VAL 248 HG13 0.11 -0.01 -0.07 -0.04 0.97 0.96 1dt6A1 VAL 248 HG23 0.08 0.04 -0.03 -0.04 0.95 1.00 1dt6A1 LYS 249 H 0.01 0.61 -0.12 -0.55 8.42 8.37 1dt6A1 LYS 249 HA 0.06 0.03 0.45 -0.75 4.32 4.10 1dt6A1 LYS 249 HB2 0.00 0.18 0.21 -0.04 1.87 2.22 1dt6A1 LYS 249 HB3 0.01 0.00 0.03 -0.04 1.79 1.80 1dt6A1 LYS 249 HG2 0.01 -0.02 0.03 -0.04 1.46 1.44 1dt6A1 LYS 249 HG3 0.03 -0.03 0.05 -0.04 1.46 1.47 1dt6A1 LYS 249 HD2 0.04 -0.03 -0.02 -0.04 1.69 1.64 1dt6A1 LYS 249 HD3 0.02 0.04 0.04 -0.04 1.68 1.73 1dt6A1 LYS 249 HE2 0.03 -0.03 0.01 -0.04 2.99 2.95 1dt6A1 LYS 249 HE3 0.02 -0.01 0.01 -0.04 2.99 2.97 1dt6A1 GLU 250 H 0.02 0.44 -0.07 -0.55 8.60 8.44 1dt6A1 GLU 250 HA 0.04 -0.00 0.42 -0.75 4.29 4.00 1dt6A1 GLU 250 HB2 0.05 -0.02 0.08 -0.04 2.09 2.16 1dt6A1 GLU 250 HB3 0.01 -0.05 0.13 -0.04 1.99 2.05 1dt6A1 GLU 250 HG2 -0.01 0.25 0.36 -0.04 2.34 2.89 1dt6A1 GLU 250 HG3 0.09 0.07 0.06 -0.04 2.34 2.52 1dt6A1 HIS 251 H 0.20 0.34 -0.61 -0.55 8.41 7.79 1dt6A1 HIS 251 HA 0.05 0.08 0.52 -0.75 4.63 4.52 1dt6A1 HIS 251 HB2 0.10 0.18 0.23 -0.04 3.26 3.73 1dt6A1 HIS 251 HB3 0.11 -0.10 -0.02 -0.04 3.20 3.15 1dt6A1 HIS 251 HD2 0.17 -0.25 0.01 -0.04 6.97 6.86 1dt6A1 HIS 251 HE1 0.16 0.09 0.13 -0.04 7.75 8.09 1dt6A1 GLN 252 H 0.12 0.44 -0.35 -0.55 8.47 8.13 1dt6A1 GLN 252 HA 0.09 0.05 0.52 -0.75 4.36 4.26 1dt6A1 GLN 252 HB2 0.08 0.27 0.29 -0.04 2.15 2.74 1dt6A1 GLN 252 HB3 0.06 -0.08 -0.02 -0.04 2.02 1.95 1dt6A1 GLN 252 HG2 0.10 -0.05 0.04 -0.04 2.40 2.45 1dt6A1 GLN 252 HG3 0.14 0.01 0.01 -0.04 2.39 2.51 1dt6A1 GLN 252 HE21 0.11 -0.08 -0.01 -0.04 6.97 6.95 1dt6A1 GLN 252 HE22 0.17 0.01 -0.00 -0.04 7.69 7.83 1dt6A1 LYS 253 H 0.04 0.26 -0.17 -0.55 8.42 8.00 1dt6A1 LYS 253 HA 0.02 0.04 0.42 -0.75 4.32 4.04 1dt6A1 LYS 253 HB2 0.02 0.11 0.12 -0.04 1.87 2.08 1dt6A1 LYS 253 HB3 0.01 -0.04 0.15 -0.04 1.79 1.87 1dt6A1 LYS 253 HG2 0.01 -0.05 0.05 -0.04 1.46 1.43 1dt6A1 LYS 253 HG3 0.02 -0.01 0.04 -0.04 1.46 1.46 1dt6A1 LYS 253 HD2 0.03 0.07 0.01 -0.04 1.69 1.76 1dt6A1 LYS 253 HD3 0.02 -0.01 -0.00 -0.04 1.68 1.65 1dt6A1 LYS 253 HE2 0.02 -0.01 -0.02 -0.04 2.99 2.94 1dt6A1 LYS 253 HE3 0.02 -0.03 -0.03 -0.04 2.99 2.91 1dt6A1 LEU 254 H -0.00 0.25 -0.99 -0.55 8.37 7.08 1dt6A1 LEU 254 HA -0.02 -0.01 0.44 -0.75 4.35 4.01 1dt6A1 LEU 254 HB2 -0.05 -0.06 0.02 -0.04 1.64 1.51 1dt6A1 LEU 254 HB3 -0.03 0.15 0.04 -0.04 1.64 1.77 1dt6A1 LEU 254 HG -0.03 0.07 -0.21 -0.04 1.64 1.43 1dt6A1 LEU 254 HD13 -0.15 0.00 0.09 -0.04 0.93 0.82 1dt6A1 LEU 254 HD23 -0.03 -0.02 -0.05 -0.04 0.89 0.75 1dt6A1 LEU 255 H -0.02 0.20 0.12 -0.55 8.37 8.13 1dt6A1 LEU 255 HA -0.05 0.16 0.62 -0.75 4.35 4.33 1dt6A1 LEU 255 HB2 -0.01 -0.07 0.11 -0.04 1.64 1.64 1dt6A1 LEU 255 HB3 -0.01 0.07 0.15 -0.04 1.64 1.81 1dt6A1 LEU 255 HG -0.00 -0.04 -0.06 -0.04 1.64 1.49 1dt6A1 LEU 255 HD13 0.01 -0.00 -0.04 -0.04 0.93 0.87 1dt6A1 LEU 255 HD23 0.02 -0.03 -0.19 -0.04 0.89 0.65 1dt6A1 ASP 256 H -0.02 0.16 0.02 -0.55 8.40 8.01 1dt6A1 ASP 256 HA -0.02 0.28 1.12 -0.75 4.63 5.26 1dt6A1 ASP 256 HB2 -0.02 0.17 -0.02 -0.04 2.71 2.80 1dt6A1 ASP 256 HB3 -0.01 -0.04 -0.11 -0.04 2.70 2.49 1dt6A1 VAL 257 H -0.01 0.18 0.11 -0.55 8.24 7.97 1dt6A1 VAL 257 HA -0.01 0.07 0.46 -0.75 4.13 3.89 1dt6A1 VAL 257 HB -0.01 0.01 0.16 -0.04 2.12 2.24 1dt6A1 VAL 257 HG13 -0.01 0.01 -0.07 -0.04 0.97 0.86 1dt6A1 VAL 257 HG23 -0.01 0.01 0.08 -0.04 0.95 0.98 1dt6A1 ASN 258 H -0.01 0.19 0.21 -0.55 8.53 8.36 1dt6A1 ASN 258 HA -0.01 0.08 0.29 -0.75 4.76 4.38 1dt6A1 ASN 258 HB2 -0.01 -0.06 0.04 -0.04 2.88 2.81 1dt6A1 ASN 258 HB3 -0.01 0.02 0.10 -0.04 2.79 2.86 1dt6A1 ASN 258 HD21 -0.01 0.04 0.06 -0.04 7.03 7.08 1dt6A1 ASN 258 HD22 -0.02 -0.02 0.10 -0.04 7.74 7.77 1dt6A1 ASN 259 H -0.01 -0.05 -1.15 -0.55 8.53 6.78 1dt6A1 ASN 259 HA 0.01 0.18 0.76 -0.75 4.76 4.96 1dt6A1 ASN 259 HB2 -0.00 0.06 0.05 -0.04 2.88 2.95 1dt6A1 ASN 259 HB3 -0.01 -0.16 0.07 -0.04 2.79 2.65 1dt6A1 ASN 259 HD21 -0.02 -0.01 -0.03 -0.04 7.03 6.93 1dt6A1 ASN 259 HD22 -0.02 -0.05 0.02 -0.04 7.74 7.65 1dt6A1 PRO 260 HA 0.01 0.06 0.61 -0.51 4.44 4.60 1dt6A1 PRO 260 HB2 0.05 0.03 -0.16 -0.04 2.28 2.16 1dt6A1 PRO 260 HB3 0.05 0.06 -0.28 -0.04 2.02 1.81 1dt6A1 PRO 260 HG2 0.02 0.11 -0.08 -0.04 2.03 2.04 1dt6A1 PRO 260 HG3 0.01 0.02 -0.14 -0.04 2.03 1.89 1dt6A1 PRO 260 HD2 0.02 0.11 -0.06 -0.04 3.68 3.70 1dt6A1 PRO 260 HD3 0.01 0.03 -1.13 -0.04 3.65 2.52 1dt6A1 ARG 261 H 0.01 0.13 0.11 -0.55 8.46 8.15 1dt6A1 ARG 261 HA 0.08 0.39 0.85 -0.75 4.34 4.90 1dt6A1 ARG 261 HB2 -0.19 0.01 0.06 -0.04 1.90 1.73 1dt6A1 ARG 261 HB3 0.08 0.02 0.16 -0.04 1.80 2.02 1dt6A1 ARG 261 HG2 0.00 -0.05 -0.11 -0.04 1.67 1.47 1dt6A1 ARG 261 HG3 -0.03 -0.03 -0.55 -0.04 1.67 1.02 1dt6A1 ARG 261 HD2 -0.10 0.01 -0.05 -0.04 3.22 3.04 1dt6A1 ARG 261 HD3 -0.24 0.03 -0.00 -0.04 3.22 2.97 1dt6A1 ASP 262 H 0.12 0.09 -0.10 -0.55 8.40 7.97 1dt6A1 ASP 262 HA 0.15 0.17 0.30 -0.75 4.63 4.50 1dt6A1 ASP 262 HB2 0.20 0.04 -0.36 -0.04 2.71 2.55 1dt6A1 ASP 262 HB3 0.29 0.41 -0.10 -0.04 2.70 3.26 1dt6A1 PHE 263 H 0.27 0.64 0.25 -0.55 8.34 8.94 1dt6A1 PHE 263 HA 0.14 0.07 0.33 -0.75 4.62 4.40 1dt6A1 PHE 263 HB2 0.00 0.21 0.22 -0.04 3.15 3.54 1dt6A1 PHE 263 HB3 0.05 -0.10 0.22 -0.04 3.06 3.19 1dt6A1 PHE 263 HD2 0.02 0.03 -0.09 -0.04 7.28 7.20 1dt6A1 PHE 263 HE2 -0.01 -0.00 -0.05 -0.04 7.38 7.28 1dt6A1 PHE 263 HZ 0.25 0.02 -0.07 -0.04 7.32 7.48 1dt6A1 ILE 264 H 0.37 0.31 -0.01 -0.55 8.25 8.37 1dt6A1 ILE 264 HA 0.29 -0.05 0.40 -0.75 4.18 4.08 1dt6A1 ILE 264 HB 0.39 0.08 0.12 -0.04 1.89 2.44 1dt6A1 ILE 264 HG12 0.20 -0.11 0.05 -0.04 1.49 1.59 1dt6A1 ILE 264 HG13 0.27 -0.02 0.13 -0.04 1.21 1.55 1dt6A1 ILE 264 HG23 0.29 0.01 -0.13 -0.04 0.93 1.06 1dt6A1 ILE 264 HD13 0.16 0.04 -0.01 -0.04 0.88 1.02 1dt6A1 ASP 265 H 0.34 0.15 -0.14 -0.55 8.40 8.20 1dt6A1 ASP 265 HA 0.16 0.05 0.36 -0.75 4.63 4.44 1dt6A1 ASP 265 HB2 0.14 0.04 0.17 -0.04 2.71 3.02 1dt6A1 ASP 265 HB3 0.07 -0.09 0.03 -0.04 2.70 2.68 1dt6A1 CYS 266 H 0.17 0.47 -0.33 -0.55 8.50 8.26 1dt6A1 CYS 266 HA 0.10 0.00 0.42 -0.75 4.58 4.35 1dt6A1 CYS 266 HB2 0.10 0.12 0.11 -0.04 2.97 3.26 1dt6A1 CYS 266 HB3 0.10 -0.04 -0.05 -0.04 2.97 2.94 1dt6A1 PHE 267 H 0.36 0.59 0.04 -0.55 8.34 8.78 1dt6A1 PHE 267 HA -0.42 -0.02 0.34 -0.75 4.62 3.77 1dt6A1 PHE 267 HB2 -0.03 0.06 0.11 -0.04 3.15 3.25 1dt6A1 PHE 267 HB3 0.15 -0.05 0.18 -0.04 3.06 3.30 1dt6A1 PHE 267 HD2 -0.33 0.05 -0.09 -0.04 7.28 6.86 1dt6A1 PHE 267 HE2 -0.32 -0.07 -0.04 -0.04 7.38 6.91 1dt6A1 PHE 267 HZ -0.10 0.00 -0.09 -0.04 7.32 7.09 1dt6A1 LEU 268 H 0.35 0.57 0.04 -0.55 8.37 8.78 1dt6A1 LEU 268 HA 0.17 -0.08 0.30 -0.75 4.35 3.98 1dt6A1 LEU 268 HB2 0.18 0.13 0.04 -0.04 1.64 1.95 1dt6A1 LEU 268 HB3 0.06 0.02 -0.07 -0.04 1.64 1.61 1dt6A1 LEU 268 HG 0.16 -0.04 -0.01 -0.04 1.64 1.71 1dt6A1 LEU 268 HD13 0.39 -0.02 -0.01 -0.04 0.93 1.24 1dt6A1 LEU 268 HD23 0.18 0.01 -0.21 -0.04 0.89 0.83 1dt6A1 ILE 269 H -0.01 0.45 -0.41 -0.55 8.25 7.73 1dt6A1 ILE 269 HA -0.14 -0.01 0.50 -0.75 4.18 3.77 1dt6A1 ILE 269 HB -0.05 -0.12 0.19 -0.04 1.89 1.87 1dt6A1 ILE 269 HG12 0.02 0.29 0.23 -0.04 1.49 1.99 1dt6A1 ILE 269 HG13 -0.01 0.05 0.20 -0.04 1.21 1.40 1dt6A1 ILE 269 HG23 -0.01 0.02 0.05 -0.04 0.93 0.94 1dt6A1 ILE 269 HD13 0.00 -0.07 0.05 -0.04 0.88 0.83 1dt6A1 LYS 270 H -0.57 0.76 -0.49 -0.55 8.42 7.57 1dt6A1 LYS 270 HA -0.24 -0.03 0.67 -0.75 4.32 3.96 1dt6A1 LYS 270 HB2 -0.65 0.50 0.21 -0.04 1.87 1.88 1dt6A1 LYS 270 HB3 -0.45 -0.17 0.20 -0.04 1.79 1.33 1dt6A1 LYS 270 HG2 -0.12 0.20 0.01 -0.04 1.46 1.51 1dt6A1 LYS 270 HG3 -0.35 -0.06 0.03 -0.04 1.46 1.04 1dt6A1 LYS 270 HD2 -0.27 -0.11 0.04 -0.04 1.69 1.30 1dt6A1 LYS 270 HD3 -0.15 -0.06 0.06 -0.04 1.68 1.49 1dt6A1 LYS 270 HE2 0.04 0.07 0.04 -0.04 2.99 3.10 1dt6A1 LYS 270 HE3 0.27 -0.02 0.00 -0.04 2.99 3.20 1dt6A1 MET 271 H -0.22 0.18 -0.25 -0.55 8.47 7.63 1dt6A1 MET 271 HA -0.19 0.44 0.53 -0.75 4.52 4.55 1dt6A1 MET 271 HB2 -0.12 -0.11 0.19 -0.04 2.15 2.07 1dt6A1 MET 271 HB3 -0.10 -0.06 0.11 -0.04 2.03 1.94 1dt6A1 MET 271 HG2 -0.18 -0.01 0.04 -0.04 2.63 2.45 1dt6A1 MET 271 HG3 -0.42 0.07 -0.41 -0.04 2.56 1.77 1dt6A1 MET 271 HE3 -0.07 0.00 -0.02 -0.04 2.10 1.97 1dt6A1 GLU 272 H -0.11 0.50 -0.20 -0.55 8.60 8.24 1dt6A1 GLU 272 HA -0.05 0.04 0.64 -0.75 4.29 4.16 1dt6A1 GLU 272 HB2 -0.07 0.05 -0.03 -0.04 2.09 2.00 1dt6A1 GLU 272 HB3 -0.09 0.04 -0.03 -0.04 1.99 1.87 1dt6A1 GLU 272 HG2 -0.04 -0.02 -0.18 -0.04 2.34 2.06 1dt6A1 GLU 272 HG3 -0.04 -0.01 0.01 -0.04 2.34 2.26 1dt6A1 GLN 273 H -0.03 0.11 0.10 -0.55 8.47 8.10 1dt6A1 GLN 273 HA -0.02 -0.02 0.32 -0.75 4.36 3.89 1dt6A1 GLN 273 HB2 -0.02 -0.05 -0.05 -0.04 2.15 1.99 1dt6A1 GLN 273 HB3 -0.02 0.31 0.09 -0.04 2.02 2.36 1dt6A1 GLN 273 HG2 -0.00 -0.01 0.19 -0.04 2.40 2.54 1dt6A1 GLN 273 HG3 -0.01 -0.04 0.12 -0.04 2.39 2.42 1dt6A1 GLN 273 HE21 -0.01 0.00 0.02 -0.04 6.97 6.94 1dt6A1 GLN 273 HE22 -0.01 -0.02 0.03 -0.04 7.69 7.65 1dt6A1 GLU 274 H -0.02 -0.04 -0.26 -0.55 8.60 7.73 1dt6A1 GLU 274 HA -0.01 -0.01 0.20 -0.75 4.29 3.72 1dt6A1 GLU 274 HB2 -0.00 -0.04 -0.17 -0.04 2.09 1.84 1dt6A1 GLU 274 HB3 0.01 0.21 0.15 -0.04 1.99 2.32 1dt6A1 GLU 274 HG2 0.01 -0.02 -0.00 -0.04 2.34 2.28 1dt6A1 GLU 274 HG3 0.00 -0.04 0.08 -0.04 2.34 2.35 1dt6A1 ASN 275 H 0.00 0.07 0.04 -0.55 8.53 8.10 1dt6A1 ASN 275 HA 0.00 0.03 0.34 -0.75 4.76 4.38 1dt6A1 ASN 275 HB2 0.02 -0.03 0.13 -0.04 2.88 2.96 1dt6A1 ASN 275 HB3 0.04 -0.07 0.06 -0.04 2.79 2.78 1dt6A1 ASN 275 HD21 0.05 0.01 0.00 -0.04 7.03 7.05 1dt6A1 ASN 275 HD22 0.03 -0.03 0.03 -0.04 7.74 7.73 1dt6A1 ASN 276 H 0.06 -0.08 -0.17 -0.55 8.53 7.80 1dt6A1 ASN 276 HA 0.41 0.27 1.19 -0.75 4.76 5.88 1dt6A1 ASN 276 HB2 0.07 -0.14 0.18 -0.04 2.88 2.94 1dt6A1 ASN 276 HB3 0.09 0.35 0.10 -0.04 2.79 3.29 1dt6A1 ASN 276 HD21 0.07 -0.02 -0.04 -0.04 7.03 7.00 1dt6A1 ASN 276 HD22 0.05 -0.00 0.01 -0.04 7.74 7.76 1dt6A1 LEU 277 H 0.05 -0.03 0.15 -0.55 8.37 7.99 1dt6A1 LEU 277 HA 0.01 0.00 0.40 -0.75 4.35 4.01 1dt6A1 LEU 277 HB2 -0.01 0.26 0.08 -0.04 1.64 1.94 1dt6A1 LEU 277 HB3 0.01 0.78 0.89 -0.04 1.64 3.28 1dt6A1 LEU 277 HG -0.03 -0.66 0.30 -0.04 1.64 1.21 1dt6A1 LEU 277 HD13 -0.01 -0.00 0.04 -0.04 0.93 0.91 1dt6A1 LEU 277 HD23 -0.06 0.03 0.02 -0.04 0.89 0.83 1dt6A1 GLU 278 H -0.02 0.10 0.25 -0.55 8.60 8.39 1dt6A1 GLU 278 HA 0.01 0.11 0.71 -0.75 4.29 4.37 1dt6A1 GLU 278 HB2 -0.01 -0.01 0.12 -0.04 2.09 2.14 1dt6A1 GLU 278 HB3 -0.03 0.01 -0.02 -0.04 1.99 1.91 1dt6A1 GLU 278 HG2 0.03 -0.00 0.14 -0.04 2.34 2.47 1dt6A1 GLU 278 HG3 0.04 -0.07 0.12 -0.04 2.34 2.39 1dt6A1 PHE 279 H -0.02 0.03 0.11 -0.55 8.34 7.91 1dt6A1 PHE 279 HA -0.51 -0.05 0.42 -0.75 4.62 3.73 1dt6A1 PHE 279 HB2 -0.84 -0.03 0.15 -0.04 3.15 2.39 1dt6A1 PHE 279 HB3 -0.30 0.36 0.28 -0.04 3.06 3.35 1dt6A1 PHE 279 HD2 -0.56 -0.08 -0.02 -0.04 7.28 6.58 1dt6A1 PHE 279 HE2 0.13 -0.09 -0.11 -0.04 7.38 7.27 1dt6A1 PHE 279 HZ 0.07 -0.07 -0.03 -0.04 7.32 7.24 1dt6A1 THR 280 H -0.20 0.22 0.20 -0.55 8.28 7.96 1dt6A1 THR 280 HA -0.48 0.16 0.45 -0.75 4.39 3.77 1dt6A1 THR 280 HB -0.10 0.02 0.10 -0.04 4.32 4.30 1dt6A1 THR 280 HG23 -0.04 0.23 -0.48 -0.04 1.22 0.89 1dt6A1 LEU 281 H -0.25 0.26 0.12 -0.55 8.37 7.95 1dt6A1 LEU 281 HA -0.12 0.09 0.38 -0.75 4.35 3.94 1dt6A1 LEU 281 HB2 -0.05 0.02 0.17 -0.04 1.64 1.74 1dt6A1 LEU 281 HB3 -0.03 0.03 -0.01 -0.04 1.64 1.59 1dt6A1 LEU 281 HG 0.01 -0.01 0.10 -0.04 1.64 1.70 1dt6A1 LEU 281 HD13 0.08 0.02 0.03 -0.04 0.93 1.02 1dt6A1 LEU 281 HD23 0.04 0.02 0.02 -0.04 0.89 0.92 1dt6A1 GLU 282 H -0.07 0.00 -0.50 -0.55 8.60 7.48 1dt6A1 GLU 282 HA -0.02 0.20 0.83 -0.75 4.29 4.55 1dt6A1 GLU 282 HB2 -0.00 0.10 0.08 -0.04 2.09 2.23 1dt6A1 GLU 282 HB3 -0.01 -0.03 0.03 -0.04 1.99 1.94 1dt6A1 GLU 282 HG2 -0.01 -0.05 -0.02 -0.04 2.34 2.21 1dt6A1 GLU 282 HG3 0.00 0.06 -0.42 -0.04 2.34 1.94 1dt6A1 SER 283 H -0.02 0.11 0.02 -0.55 8.46 8.02 1dt6A1 SER 283 HA 0.04 0.06 0.41 -0.75 4.49 4.24 1dt6A1 SER 283 HB2 0.12 -0.03 0.07 -0.04 3.95 4.07 1dt6A1 SER 283 HB3 0.05 -0.00 0.12 -0.04 3.93 4.05 1dt6A1 LEU 284 H -0.06 0.53 -0.12 -0.55 8.37 8.17 1dt6A1 LEU 284 HA -0.89 0.05 0.33 -0.75 4.35 3.09 1dt6A1 LEU 284 HB2 -0.71 0.02 0.04 -0.04 1.64 0.95 1dt6A1 LEU 284 HB3 -0.17 0.08 0.05 -0.04 1.64 1.56 1dt6A1 LEU 284 HG -0.09 -0.01 -0.10 -0.04 1.64 1.40 1dt6A1 LEU 284 HD13 -0.30 -0.02 -0.11 -0.04 0.93 0.46 1dt6A1 LEU 284 HD23 0.06 0.01 0.01 -0.04 0.89 0.94 1dt6A1 VAL 285 H -0.07 0.31 -0.11 -0.55 8.24 7.82 1dt6A1 VAL 285 HA 0.02 -0.03 0.32 -0.75 4.13 3.69 1dt6A1 VAL 285 HB -0.00 0.13 0.18 -0.04 2.12 2.39 1dt6A1 VAL 285 HG13 0.03 0.00 -0.15 -0.04 0.97 0.80 1dt6A1 VAL 285 HG23 0.02 0.02 0.14 -0.04 0.95 1.08 1dt6A1 ILE 286 H 0.00 0.45 -0.30 -0.55 8.25 7.85 1dt6A1 ILE 286 HA 0.04 -0.01 0.40 -0.75 4.18 3.86 1dt6A1 ILE 286 HB 0.05 0.05 -0.08 -0.04 1.89 1.86 1dt6A1 ILE 286 HG12 0.04 -0.04 0.06 -0.04 1.49 1.51 1dt6A1 ILE 286 HG13 0.02 0.19 0.15 -0.04 1.21 1.54 1dt6A1 ILE 286 HG23 0.07 0.02 0.05 -0.04 0.93 1.03 1dt6A1 ILE 286 HD13 0.04 -0.01 -0.05 -0.04 0.88 0.82 1dt6A1 ALA 287 H -0.00 0.83 -0.15 -0.55 8.40 8.54 1dt6A1 ALA 287 HA 0.04 -0.11 0.67 -0.75 4.34 4.19 1dt6A1 ALA 287 HB3 0.10 0.03 0.14 -0.04 1.41 1.64 1dt6A1 VAL 288 H -0.03 0.45 0.05 -0.55 8.24 8.16 1dt6A1 VAL 288 HA -0.23 0.00 0.32 -0.75 4.13 3.47 1dt6A1 VAL 288 HB 0.11 0.13 0.05 -0.04 2.12 2.36 1dt6A1 VAL 288 HG13 0.25 -0.01 -0.01 -0.04 0.97 1.16 1dt6A1 VAL 288 HG23 0.02 0.03 -0.05 -0.04 0.95 0.90 1dt6A1 SER 289 H 0.05 0.41 -0.62 -0.55 8.46 7.75 1dt6A1 SER 289 HA 0.15 0.03 0.59 -0.75 4.49 4.50 1dt6A1 SER 289 HB2 0.06 0.17 0.14 -0.04 3.95 4.28 1dt6A1 SER 289 HB3 0.06 -0.04 0.01 -0.04 3.93 3.92 1dt6A1 ASP 290 H 0.03 0.48 0.05 -0.55 8.40 8.41 1dt6A1 ASP 290 HA 0.02 0.01 0.48 -0.75 4.63 4.38 1dt6A1 ASP 290 HB2 -0.02 0.02 0.25 -0.04 2.71 2.92 1dt6A1 ASP 290 HB3 -0.07 -0.09 0.18 -0.04 2.70 2.67 1dt6A1 LEU 291 H -0.07 0.73 -0.17 -0.55 8.37 8.31 1dt6A1 LEU 291 HA -0.11 -0.01 0.40 -0.75 4.35 3.87 1dt6A1 LEU 291 HB2 -0.31 0.04 0.07 -0.04 1.64 1.40 1dt6A1 LEU 291 HB3 -0.35 -0.01 -0.05 -0.04 1.64 1.19 1dt6A1 LEU 291 HG -0.23 0.09 -0.11 -0.04 1.64 1.35 1dt6A1 LEU 291 HD13 -0.75 0.00 -0.09 -0.04 0.93 0.05 1dt6A1 LEU 291 HD23 -0.11 -0.01 -0.08 -0.04 0.89 0.65 1dt6A1 PHE 292 H 0.03 0.52 -0.17 -0.55 8.34 8.17 1dt6A1 PHE 292 HA -0.06 -0.01 0.32 -0.75 4.62 4.12 1dt6A1 PHE 292 HB2 -0.04 0.18 0.31 -0.04 3.15 3.56 1dt6A1 PHE 292 HB3 -0.04 -0.05 0.02 -0.04 3.06 2.95 1dt6A1 PHE 292 HD2 -0.03 0.16 0.04 -0.04 7.28 7.41 1dt6A1 PHE 292 HE2 0.02 0.02 -0.04 -0.04 7.38 7.34 1dt6A1 PHE 292 HZ 0.01 -0.04 -0.08 -0.04 7.32 7.18 1dt6A1 GLY 293 H 0.13 0.85 0.02 -0.55 8.43 8.88 1dt6A1 GLY 293 HA2 0.08 -0.02 0.35 -0.51 4.01 3.91 1dt6A1 GLY 293 HA3 0.07 0.07 0.33 -0.51 4.01 3.97 1dt6A1 ALA 294 H 0.00 0.55 0.03 -0.55 8.40 8.43 1dt6A1 ALA 294 HA -0.00 0.01 0.53 -0.75 4.34 4.12 1dt6A1 ALA 294 HB3 -0.06 0.01 0.12 -0.04 1.41 1.44 1dt6A1 GLY 295 H -0.02 0.67 -0.14 -0.55 8.43 8.38 1dt6A1 GLY 295 HA2 -0.01 -0.11 0.37 -0.51 4.01 3.75 1dt6A1 GLY 295 HA3 -0.05 0.10 0.30 -0.51 4.01 3.85 1dt6A1 THR 296 H 0.03 0.74 -0.11 -0.55 8.28 8.39 1dt6A1 THR 296 HA 0.03 0.05 0.51 -0.75 4.39 4.22 1dt6A1 THR 296 HB 0.13 0.01 0.07 -0.04 4.32 4.49 1dt6A1 THR 296 HG23 0.04 0.05 0.02 -0.04 1.22 1.29 1dt6A1 GLU 297 H 0.02 0.44 0.01 -0.55 8.60 8.52 1dt6A1 GLU 297 HA -0.03 0.03 0.37 -0.75 4.29 3.91 1dt6A1 GLU 297 HB2 0.04 0.09 0.16 -0.04 2.09 2.33 1dt6A1 GLU 297 HB3 0.04 -0.04 0.18 -0.04 1.99 2.12 1dt6A1 GLU 297 HG2 0.08 0.03 -0.02 -0.04 2.34 2.39 1dt6A1 GLU 297 HG3 0.03 -0.02 -0.15 -0.04 2.34 2.16 1dt6A1 THR 298 H 0.01 0.29 0.01 -0.55 8.28 8.04 1dt6A1 THR 298 HA 0.01 0.04 0.30 -0.75 4.39 3.98 1dt6A1 THR 298 HB -0.04 -0.03 -0.11 -0.04 4.32 4.11 1dt6A1 THR 298 HG23 -0.03 -0.00 0.04 -0.04 1.22 1.18 1dt6A1 THR 299 H 0.02 0.25 -0.29 -0.55 8.28 7.72 1dt6A1 THR 299 HA 0.06 -0.01 0.37 -0.75 4.39 4.05 1dt6A1 THR 299 HB 0.06 0.16 0.08 -0.04 4.32 4.57 1dt6A1 THR 299 HG23 0.15 -0.02 -0.05 -0.04 1.22 1.25 1dt6A1 SER 300 H 0.00 0.49 -0.16 -0.55 8.46 8.25 1dt6A1 SER 300 HA -0.02 0.09 0.57 -0.75 4.49 4.38 1dt6A1 SER 300 HB2 -0.07 0.03 0.24 -0.04 3.95 4.12 1dt6A1 SER 300 HB3 -0.06 0.09 0.22 -0.04 3.93 4.14 1dt6A1 THR 301 H 0.01 0.66 0.03 -0.55 8.28 8.43 1dt6A1 THR 301 HA 0.03 -0.01 0.37 -0.75 4.39 4.03 1dt6A1 THR 301 HB 0.02 -0.05 0.07 -0.04 4.32 4.32 1dt6A1 THR 301 HG23 0.03 0.13 -0.05 -0.04 1.22 1.28 1dt6A1 THR 302 H 0.06 0.29 -0.69 -0.55 8.28 7.40 1dt6A1 THR 302 HA 0.13 0.14 0.63 -0.75 4.39 4.54 1dt6A1 THR 302 HB 0.06 0.11 0.11 -0.04 4.32 4.57 1dt6A1 THR 302 HG23 0.05 -0.03 -0.18 -0.04 1.22 1.03 1dt6A1 LEU 303 H 0.07 0.58 0.11 -0.55 8.37 8.59 1dt6A1 LEU 303 HA 0.10 -0.00 0.49 -0.75 4.35 4.18 1dt6A1 LEU 303 HB2 0.02 0.17 0.22 -0.04 1.64 2.01 1dt6A1 LEU 303 HB3 0.04 -0.07 0.03 -0.04 1.64 1.60 1dt6A1 LEU 303 HG 0.12 0.16 0.12 -0.04 1.64 2.01 1dt6A1 LEU 303 HD13 0.05 -0.00 -0.01 -0.04 0.93 0.93 1dt6A1 LEU 303 HD23 0.18 -0.02 0.01 -0.04 0.89 1.02 1dt6A1 ARG 304 H 0.07 0.68 -0.12 -0.55 8.46 8.53 1dt6A1 ARG 304 HA 0.15 -0.02 0.33 -0.75 4.34 4.05 1dt6A1 ARG 304 HB2 0.03 0.00 -0.04 -0.04 1.90 1.85 1dt6A1 ARG 304 HB3 0.06 0.11 -0.02 -0.04 1.80 1.91 1dt6A1 ARG 304 HG2 0.24 0.05 -0.21 -0.04 1.67 1.70 1dt6A1 ARG 304 HG3 0.09 -0.13 -0.06 -0.04 1.67 1.53 1dt6A1 ARG 304 HD2 0.01 0.13 -0.06 -0.04 3.22 3.26 1dt6A1 ARG 304 HD3 -0.03 -0.09 -0.02 -0.04 3.22 3.03 1dt6A1 TYR 305 H 0.19 0.19 -0.63 -0.55 8.29 7.49 1dt6A1 TYR 305 HA -0.00 0.05 0.51 -0.75 4.56 4.37 1dt6A1 TYR 305 HB2 0.03 0.44 0.29 -0.04 3.06 3.78 1dt6A1 TYR 305 HB3 0.02 -0.00 0.06 -0.04 2.98 3.02 1dt6A1 TYR 305 HD2 -0.01 -0.01 0.08 -0.04 7.15 7.18 1dt6A1 TYR 305 HE2 0.04 0.02 -0.11 -0.04 6.85 6.76 1dt6A1 SER 306 H 0.14 0.55 -0.17 -0.55 8.46 8.44 1dt6A1 SER 306 HA 0.02 0.01 0.37 -0.75 4.49 4.14 1dt6A1 SER 306 HB2 0.08 0.12 0.19 -0.04 3.95 4.31 1dt6A1 SER 306 HB3 0.06 -0.08 -0.04 -0.04 3.93 3.83 1dt6A1 LEU 307 H 0.08 0.49 -0.16 -0.55 8.37 8.23 1dt6A1 LEU 307 HA 0.00 0.00 0.30 -0.75 4.35 3.90 1dt6A1 LEU 307 HB2 0.20 0.09 -0.00 -0.04 1.64 1.88 1dt6A1 LEU 307 HB3 0.07 -0.03 -0.07 -0.04 1.64 1.57 1dt6A1 LEU 307 HG 0.15 0.31 0.06 -0.04 1.64 2.12 1dt6A1 LEU 307 HD13 0.30 -0.02 -0.10 -0.04 0.93 1.07 1dt6A1 LEU 307 HD23 0.11 -0.04 -0.10 -0.04 0.89 0.82 1dt6A1 LEU 308 H -0.22 0.38 -0.37 -0.55 8.37 7.62 1dt6A1 LEU 308 HA -0.64 -0.01 0.26 -0.75 4.35 3.21 1dt6A1 LEU 308 HB2 -0.89 0.04 0.05 -0.04 1.64 0.79 1dt6A1 LEU 308 HB3 -0.22 0.17 0.08 -0.04 1.64 1.62 1dt6A1 LEU 308 HG -0.23 -0.05 -0.27 -0.04 1.64 1.06 1dt6A1 LEU 308 HD13 -0.49 -0.02 -0.08 -0.04 0.93 0.31 1dt6A1 LEU 308 HD23 -0.20 0.05 0.01 -0.04 0.89 0.72 1dt6A1 LEU 309 H -0.11 0.49 -0.29 -0.55 8.37 7.91 1dt6A1 LEU 309 HA -0.22 0.03 0.46 -0.75 4.35 3.87 1dt6A1 LEU 309 HB2 -0.29 0.16 0.14 -0.04 1.64 1.60 1dt6A1 LEU 309 HB3 -0.91 -0.10 -0.01 -0.04 1.64 0.58 1dt6A1 LEU 309 HG -0.05 0.07 0.04 -0.04 1.64 1.65 1dt6A1 LEU 309 HD13 -0.28 -0.01 -0.07 -0.04 0.93 0.53 1dt6A1 LEU 309 HD23 -0.72 -0.02 -0.01 -0.04 0.89 0.10 1dt6A1 LEU 310 H -0.10 0.54 -0.17 -0.55 8.37 8.09 1dt6A1 LEU 310 HA 0.00 0.01 0.38 -0.75 4.35 3.99 1dt6A1 LEU 310 HB2 -0.03 0.11 0.05 -0.04 1.64 1.74 1dt6A1 LEU 310 HB3 0.01 -0.07 -0.01 -0.04 1.64 1.53 1dt6A1 LEU 310 HG -0.01 0.11 -0.07 -0.04 1.64 1.63 1dt6A1 LEU 310 HD13 0.04 -0.01 -0.15 -0.04 0.93 0.77 1dt6A1 LEU 310 HD23 0.08 -0.02 -0.10 -0.04 0.89 0.80 1dt6A1 LEU 311 H -0.13 0.51 -0.31 -0.55 8.37 7.88 1dt6A1 LEU 311 HA -0.08 0.04 0.49 -0.75 4.35 4.04 1dt6A1 LEU 311 HB2 -0.20 0.16 0.11 -0.04 1.64 1.67 1dt6A1 LEU 311 HB3 -0.12 -0.08 -0.05 -0.04 1.64 1.36 1dt6A1 LEU 311 HG -0.11 0.04 -0.15 -0.04 1.64 1.38 1dt6A1 LEU 311 HD13 -0.09 -0.02 -0.20 -0.04 0.93 0.58 1dt6A1 LEU 311 HD23 -0.09 -0.01 -0.27 -0.04 0.89 0.48 1dt6A1 LYS 312 H -0.17 0.46 -0.16 -0.55 8.42 8.00 1dt6A1 LYS 312 HA -0.22 0.01 0.48 -0.75 4.32 3.83 1dt6A1 LYS 312 HB2 -0.19 0.10 0.12 -0.04 1.87 1.86 1dt6A1 LYS 312 HB3 -0.20 0.06 0.22 -0.04 1.79 1.83 1dt6A1 LYS 312 HG2 -0.17 -0.05 0.01 -0.04 1.46 1.21 1dt6A1 LYS 312 HG3 -0.88 -0.06 -0.09 -0.04 1.46 0.39 1dt6A1 LYS 312 HD2 -0.28 -0.03 0.23 -0.04 1.69 1.58 1dt6A1 LYS 312 HD3 -0.16 0.05 0.10 -0.04 1.68 1.64 1dt6A1 LYS 312 HE2 -0.06 -0.07 0.06 -0.04 2.99 2.88 1dt6A1 LYS 312 HE3 -0.17 -0.10 0.04 -0.04 2.99 2.72 1dt6A1 HIS 313 H -0.04 0.44 -0.36 -0.55 8.41 7.90 1dt6A1 HIS 313 HA -0.01 0.15 0.86 -0.75 4.63 4.88 1dt6A1 HIS 313 HB2 0.02 0.05 0.21 -0.04 3.26 3.49 1dt6A1 HIS 313 HB3 0.07 -0.17 0.15 -0.04 3.20 3.21 1dt6A1 HIS 313 HD2 -0.33 0.08 -0.00 -0.04 6.97 6.67 1dt6A1 HIS 313 HE1 0.03 -0.03 0.02 -0.04 7.75 7.71 1dt6A1 PRO 314 HA 0.03 0.16 0.53 -0.51 4.44 4.66 1dt6A1 PRO 314 HB2 0.01 -0.05 0.08 -0.04 2.28 2.28 1dt6A1 PRO 314 HB3 -0.01 0.15 0.19 -0.04 2.02 2.31 1dt6A1 PRO 314 HG2 0.01 -0.07 0.05 -0.04 2.03 1.97 1dt6A1 PRO 314 HG3 -0.02 0.04 0.09 -0.04 2.03 2.10 1dt6A1 PRO 314 HD2 -0.03 0.10 0.04 -0.04 3.68 3.75 1dt6A1 PRO 314 HD3 -0.05 0.48 -0.16 -0.04 3.65 3.87 1dt6A1 GLU 315 H 0.08 0.15 -0.39 -0.55 8.60 7.89 1dt6A1 GLU 315 HA 0.03 0.07 0.43 -0.75 4.29 4.08 1dt6A1 GLU 315 HB2 0.03 -0.00 0.06 -0.04 2.09 2.14 1dt6A1 GLU 315 HB3 0.05 0.03 0.08 -0.04 1.99 2.11 1dt6A1 GLU 315 HG2 0.11 0.04 -0.14 -0.04 2.34 2.31 1dt6A1 GLU 315 HG3 0.06 0.00 -0.05 -0.04 2.34 2.31 1dt6A1 VAL 316 H 0.14 0.42 -0.10 -0.55 8.24 8.15 1dt6A1 VAL 316 HA 0.29 -0.00 0.40 -0.75 4.13 4.07 1dt6A1 VAL 316 HB 0.19 0.26 0.17 -0.04 2.12 2.70 1dt6A1 VAL 316 HG13 0.18 -0.01 -0.17 -0.04 0.97 0.93 1dt6A1 VAL 316 HG23 0.23 -0.02 0.02 -0.04 0.95 1.15 1dt6A1 ALA 317 H 0.10 0.29 -0.10 -0.55 8.40 8.13 1dt6A1 ALA 317 HA 0.09 0.00 0.34 -0.75 4.34 4.02 1dt6A1 ALA 317 HB3 0.04 0.05 0.11 -0.04 1.41 1.57 1dt6A1 ALA 318 H 0.06 0.44 -0.34 -0.55 8.40 8.01 1dt6A1 ALA 318 HA 0.02 0.08 0.49 -0.75 4.34 4.18 1dt6A1 ALA 318 HB3 0.01 0.02 0.13 -0.04 1.41 1.53 1dt6A1 ARG 319 H 0.03 0.58 0.01 -0.55 8.46 8.52 1dt6A1 ARG 319 HA -0.09 0.00 0.48 -0.75 4.34 3.98 1dt6A1 ARG 319 HB2 -0.19 0.13 0.16 -0.04 1.90 1.96 1dt6A1 ARG 319 HB3 -0.71 -0.09 0.03 -0.04 1.80 0.99 1dt6A1 ARG 319 HG2 -0.24 -0.05 0.05 -0.04 1.67 1.39 1dt6A1 ARG 319 HG3 -0.11 0.03 0.08 -0.04 1.67 1.63 1dt6A1 ARG 319 HD2 -0.11 0.07 -0.06 -0.04 3.22 3.08 1dt6A1 ARG 319 HD3 -0.49 -0.06 -0.02 -0.04 3.22 2.61 1dt6A1 VAL 320 H 0.19 0.60 -0.22 -0.55 8.24 8.26 1dt6A1 VAL 320 HA 0.26 -0.09 0.35 -0.75 4.13 3.90 1dt6A1 VAL 320 HB 0.11 0.19 0.08 -0.04 2.12 2.46 1dt6A1 VAL 320 HG13 0.06 -0.02 -0.14 -0.04 0.97 0.84 1dt6A1 VAL 320 HG23 0.16 0.04 -0.06 -0.04 0.95 1.05 1dt6A1 GLN 321 H 0.06 0.44 -0.27 -0.55 8.47 8.16 1dt6A1 GLN 321 HA 0.04 0.06 0.43 -0.75 4.36 4.13 1dt6A1 GLN 321 HB2 0.03 0.12 0.26 -0.04 2.15 2.52 1dt6A1 GLN 321 HB3 0.01 -0.07 -0.01 -0.04 2.02 1.92 1dt6A1 GLN 321 HG2 0.02 0.11 0.11 -0.04 2.40 2.60 1dt6A1 GLN 321 HG3 0.04 -0.09 0.05 -0.04 2.39 2.34 1dt6A1 GLN 321 HE21 0.05 -0.21 0.11 -0.04 6.97 6.88 1dt6A1 GLN 321 HE22 0.05 0.40 0.12 -0.04 7.69 8.22 1dt6A1 GLU 322 H 0.01 0.46 -0.09 -0.55 8.60 8.44 1dt6A1 GLU 322 HA -0.00 0.02 0.43 -0.75 4.29 3.98 1dt6A1 GLU 322 HB2 -0.03 0.05 0.17 -0.04 2.09 2.24 1dt6A1 GLU 322 HB3 -0.04 0.03 0.20 -0.04 1.99 2.14 1dt6A1 GLU 322 HG2 -0.02 -0.01 0.05 -0.04 2.34 2.32 1dt6A1 GLU 322 HG3 -0.05 -0.05 0.02 -0.04 2.34 2.22 1dt6A1 GLU 323 H 0.03 0.59 -0.08 -0.55 8.60 8.59 1dt6A1 GLU 323 HA 0.04 -0.04 0.34 -0.75 4.29 3.87 1dt6A1 GLU 323 HB2 0.09 -0.02 0.15 -0.04 2.09 2.28 1dt6A1 GLU 323 HB3 0.12 0.25 0.17 -0.04 1.99 2.48 1dt6A1 GLU 323 HG2 0.13 0.00 -0.04 -0.04 2.34 2.39 1dt6A1 GLU 323 HG3 0.09 0.07 0.10 -0.04 2.34 2.56 1dt6A1 ILE 324 H 0.05 0.39 -0.27 -0.55 8.25 7.86 1dt6A1 ILE 324 HA 0.05 -0.11 0.40 -0.75 4.18 3.76 1dt6A1 ILE 324 HB 0.02 0.08 0.20 -0.04 1.89 2.15 1dt6A1 ILE 324 HG12 0.01 -0.15 -0.02 -0.04 1.49 1.29 1dt6A1 ILE 324 HG13 0.04 0.34 0.00 -0.04 1.21 1.55 1dt6A1 ILE 324 HG23 0.01 0.01 -0.16 -0.04 0.93 0.75 1dt6A1 ILE 324 HD13 0.00 0.01 -0.14 -0.04 0.88 0.71 1dt6A1 GLU 325 H 0.02 0.69 0.13 -0.55 8.60 8.89 1dt6A1 GLU 325 HA 0.02 0.24 0.47 -0.75 4.29 4.27 1dt6A1 GLU 325 HB2 0.01 0.12 0.25 -0.04 2.09 2.42 1dt6A1 GLU 325 HB3 0.01 -0.10 -0.02 -0.04 1.99 1.83 1dt6A1 GLU 325 HG2 -0.01 -0.12 0.03 -0.04 2.34 2.20 1dt6A1 GLU 325 HG3 0.00 -0.04 0.06 -0.04 2.34 2.33 1dt6A1 ARG 326 H 0.02 0.62 -0.17 -0.55 8.46 8.37 1dt6A1 ARG 326 HA 0.02 -0.05 0.37 -0.75 4.34 3.93 1dt6A1 ARG 326 HB2 0.01 -0.07 0.04 -0.04 1.90 1.84 1dt6A1 ARG 326 HB3 0.03 0.06 0.08 -0.04 1.80 1.93 1dt6A1 ARG 326 HG2 0.02 0.01 -0.16 -0.04 1.67 1.51 1dt6A1 ARG 326 HG3 0.02 -0.03 0.03 -0.04 1.67 1.65 1dt6A1 ARG 326 HD2 0.00 -0.06 -0.01 -0.04 3.22 3.12 1dt6A1 ARG 326 HD3 0.00 -0.03 -0.01 -0.04 3.22 3.14 1dt6A1 VAL 327 H 0.05 0.43 -0.03 -0.55 8.24 8.14 1dt6A1 VAL 327 HA 0.04 0.13 1.04 -0.75 4.13 4.58 1dt6A1 VAL 327 HB 0.05 -0.08 0.09 -0.04 2.12 2.14 1dt6A1 VAL 327 HG13 0.06 0.16 0.05 -0.04 0.97 1.19 1dt6A1 VAL 327 HG23 0.08 -0.03 -0.21 -0.04 0.95 0.75 1dt6A1 ILE 328 H 0.05 0.63 0.23 -0.55 8.25 8.60 1dt6A1 ILE 328 HA 0.06 -0.03 0.80 -0.75 4.18 4.25 1dt6A1 ILE 328 HB 0.04 0.20 0.05 -0.04 1.89 2.15 1dt6A1 ILE 328 HG12 0.09 -0.11 -0.05 -0.04 1.49 1.38 1dt6A1 ILE 328 HG13 0.09 -0.03 -0.11 -0.04 1.21 1.12 1dt6A1 ILE 328 HG23 0.05 -0.03 -0.22 -0.04 0.93 0.68 1dt6A1 ILE 328 HD13 0.09 -0.03 -0.07 -0.04 0.88 0.83 1dt6A1 GLY 329 H 0.06 -0.02 0.02 -0.55 8.43 7.94 1dt6A1 GLY 329 HA2 0.09 0.13 0.28 -0.51 4.01 4.00 1dt6A1 GLY 329 HA3 0.12 -0.29 0.42 -0.51 4.01 3.75 1dt6A1 ARG 330 H 0.20 -0.92 0.33 -0.55 8.46 7.52 1dt6A1 ARG 330 HA -0.05 0.24 0.57 -0.75 4.34 4.34 1dt6A1 ARG 330 HB2 -0.04 -0.12 0.03 -0.04 1.90 1.74 1dt6A1 ARG 330 HB3 -0.29 -0.03 0.03 -0.04 1.80 1.46 1dt6A1 ARG 330 HG2 -0.05 0.13 0.10 -0.04 1.67 1.81 1dt6A1 ARG 330 HG3 0.00 0.05 -0.05 -0.04 1.67 1.63 1dt6A1 ARG 330 HD2 -0.13 -0.04 0.01 -0.04 3.22 3.02 1dt6A1 ARG 330 HD3 -0.05 0.01 -0.00 -0.04 3.22 3.14 1dt6A1 HIS 331 H 0.19 -0.88 0.25 -0.55 8.41 7.43 1dt6A1 HIS 331 HA -0.01 0.21 0.69 -0.75 4.63 4.77 1dt6A1 HIS 331 HB2 0.00 -0.12 0.27 -0.04 3.26 3.37 1dt6A1 HIS 331 HB3 0.00 0.04 0.11 -0.04 3.20 3.31 1dt6A1 HIS 331 HD2 -0.00 0.01 0.00 -0.04 6.97 6.93 1dt6A1 HIS 331 HE1 -0.01 0.05 -0.01 -0.04 7.75 7.73 1dt6A1 ARG 332 H 0.14 -0.01 0.13 -0.55 8.46 8.16 1dt6A1 ARG 332 HA 0.06 -0.00 0.32 -0.75 4.34 3.97 1dt6A1 ARG 332 HB2 0.05 0.10 0.08 -0.04 1.90 2.09 1dt6A1 ARG 332 HB3 0.05 -0.04 0.14 -0.04 1.80 1.91 1dt6A1 ARG 332 HG2 0.06 -0.10 0.12 -0.04 1.67 1.72 1dt6A1 ARG 332 HG3 0.06 0.01 -0.07 -0.04 1.67 1.63 1dt6A1 ARG 332 HD2 0.04 -0.02 0.03 -0.04 3.22 3.22 1dt6A1 ARG 332 HD3 0.04 0.01 0.04 -0.04 3.22 3.26 1dt6A1 SER 333 H 0.04 -0.02 0.13 -0.55 8.46 8.07 1dt6A1 SER 333 HA 0.02 0.22 0.52 -0.75 4.49 4.50 1dt6A1 SER 333 HB2 0.03 0.09 0.10 -0.04 3.95 4.13 1dt6A1 SER 333 HB3 0.03 0.02 0.08 -0.04 3.93 4.02 1dt6A1 PRO 334 HA 0.07 0.11 0.63 -0.51 4.44 4.74 1dt6A1 PRO 334 HB2 0.00 -0.03 -0.07 -0.04 2.28 2.14 1dt6A1 PRO 334 HB3 0.05 0.02 -0.00 -0.04 2.02 2.04 1dt6A1 PRO 334 HG2 -0.05 0.06 -0.16 -0.04 2.03 1.84 1dt6A1 PRO 334 HG3 0.00 0.13 -0.14 -0.04 2.03 1.98 1dt6A1 PRO 334 HD2 0.01 0.07 0.15 -0.04 3.68 3.87 1dt6A1 PRO 334 HD3 0.01 0.19 0.14 -0.04 3.65 3.95 1dt6A1 CYS 335 H 0.14 0.25 0.18 -0.55 8.50 8.52 1dt6A1 CYS 335 HA 0.08 0.17 0.68 -0.75 4.58 4.75 1dt6A1 CYS 335 HB2 0.04 -0.06 0.08 -0.04 2.97 2.99 1dt6A1 CYS 335 HB3 0.05 0.15 -0.13 -0.04 2.97 3.00 1dt6A1 MET 336 H 0.04 0.17 0.08 -0.55 8.47 8.21 1dt6A1 MET 336 HA -0.06 0.10 0.28 -0.75 4.52 4.08 1dt6A1 MET 336 HB2 -0.02 -0.03 0.07 -0.04 2.15 2.13 1dt6A1 MET 336 HB3 -0.09 0.07 -0.03 -0.04 2.03 1.94 1dt6A1 MET 336 HG2 -0.00 -0.03 0.06 -0.04 2.63 2.61 1dt6A1 MET 336 HG3 -0.04 0.02 0.01 -0.04 2.56 2.50 1dt6A1 MET 336 HE3 -0.26 0.02 -0.01 -0.04 2.10 1.81 1dt6A1 GLN 337 H 0.01 0.04 -0.31 -0.55 8.47 7.67 1dt6A1 GLN 337 HA -0.03 0.05 0.30 -0.75 4.36 3.92 1dt6A1 GLN 337 HB2 0.02 -0.06 0.05 -0.04 2.15 2.12 1dt6A1 GLN 337 HB3 0.02 0.07 -0.05 -0.04 2.02 2.02 1dt6A1 GLN 337 HG2 0.01 0.03 -0.02 -0.04 2.40 2.38 1dt6A1 GLN 337 HG3 0.00 0.04 -0.01 -0.04 2.39 2.38 1dt6A1 GLN 337 HE21 0.00 -0.00 -0.01 -0.04 6.97 6.92 1dt6A1 GLN 337 HE22 0.00 0.04 -0.01 -0.04 7.69 7.68 1dt6A1 ASP 338 H 0.06 0.25 -0.29 -0.55 8.40 7.88 1dt6A1 ASP 338 HA 0.05 0.06 0.28 -0.75 4.63 4.27 1dt6A1 ASP 338 HB2 0.31 0.03 0.03 -0.04 2.71 3.05 1dt6A1 ASP 338 HB3 0.19 0.05 -0.10 -0.04 2.70 2.80 1dt6A1 ARG 339 H -0.31 0.28 -0.17 -0.55 8.46 7.71 1dt6A1 ARG 339 HA -0.16 0.01 0.27 -0.75 4.34 3.71 1dt6A1 ARG 339 HB2 -1.70 -0.03 0.08 -0.04 1.90 0.22 1dt6A1 ARG 339 HB3 -0.46 0.06 0.04 -0.04 1.80 1.41 1dt6A1 ARG 339 HG2 -0.20 0.00 -0.27 -0.04 1.67 1.17 1dt6A1 ARG 339 HG3 -0.33 -0.03 0.01 -0.04 1.67 1.28 1dt6A1 ARG 339 HD2 -0.14 0.00 -0.05 -0.04 3.22 3.00 1dt6A1 ARG 339 HD3 -0.53 -0.01 -0.02 -0.04 3.22 2.63 1dt6A1 SER 340 H -0.10 0.32 -0.28 -0.55 8.46 7.85 1dt6A1 SER 340 HA -0.03 0.02 0.42 -0.75 4.49 4.15 1dt6A1 SER 340 HB2 -0.01 -0.02 0.05 -0.04 3.95 3.93 1dt6A1 SER 340 HB3 -0.04 -0.06 0.08 -0.04 3.93 3.87 1dt6A1 ARG 341 H 0.02 0.76 -0.19 -0.55 8.46 8.50 1dt6A1 ARG 341 HA 0.07 0.12 0.82 -0.75 4.34 4.60 1dt6A1 ARG 341 HB2 0.04 -0.01 0.09 -0.04 1.90 1.98 1dt6A1 ARG 341 HB3 0.06 0.02 0.13 -0.04 1.80 1.97 1dt6A1 ARG 341 HG2 0.06 0.00 0.11 -0.04 1.67 1.80 1dt6A1 ARG 341 HG3 0.04 -0.05 0.01 -0.04 1.67 1.62 1dt6A1 ARG 341 HD2 0.04 -0.00 0.04 -0.04 3.22 3.26 1dt6A1 ARG 341 HD3 0.05 0.03 0.09 -0.04 3.22 3.35 1dt6A1 MET 342 H 0.07 0.45 -0.47 -0.55 8.47 7.96 1dt6A1 MET 342 HA 0.11 0.17 0.81 -0.75 4.52 4.85 1dt6A1 MET 342 HB2 0.20 0.03 0.06 -0.04 2.15 2.39 1dt6A1 MET 342 HB3 0.18 -0.17 0.09 -0.04 2.03 2.08 1dt6A1 MET 342 HG2 0.12 0.12 -0.14 -0.04 2.63 2.69 1dt6A1 MET 342 HG3 0.12 0.06 -0.59 -0.04 2.56 2.11 1dt6A1 MET 342 HE3 0.13 -0.01 -0.13 -0.04 2.10 2.04 1dt6A1 PRO 343 HA 0.09 0.09 0.38 -0.51 4.44 4.49 1dt6A1 PRO 343 HB2 0.12 -0.05 -0.22 -0.04 2.28 2.09 1dt6A1 PRO 343 HB3 0.20 0.06 0.00 -0.04 2.02 2.24 1dt6A1 PRO 343 HG2 0.08 -0.16 0.03 -0.04 2.03 1.94 1dt6A1 PRO 343 HG3 0.06 0.22 -0.07 -0.04 2.03 2.19 1dt6A1 PRO 343 HD2 0.09 0.21 -0.02 -0.04 3.68 3.92 1dt6A1 PRO 343 HD3 0.13 0.22 -0.14 -0.04 3.65 3.81 1dt6A1 TYR 344 H 0.19 0.19 -0.15 -0.55 8.29 7.96 1dt6A1 TYR 344 HA 0.02 0.08 0.32 -0.75 4.56 4.23 1dt6A1 TYR 344 HB2 -0.00 0.01 0.06 -0.04 3.06 3.08 1dt6A1 TYR 344 HB3 0.02 0.04 0.02 -0.04 2.98 3.02 1dt6A1 TYR 344 HD2 0.00 0.02 -0.22 -0.04 7.15 6.92 1dt6A1 TYR 344 HE2 -0.00 0.07 -0.06 -0.04 6.85 6.82 1dt6A1 THR 345 H 0.16 0.16 -0.21 -0.55 8.28 7.84 1dt6A1 THR 345 HA -0.01 0.04 0.34 -0.75 4.39 4.01 1dt6A1 THR 345 HB 0.20 0.12 0.09 -0.04 4.32 4.68 1dt6A1 THR 345 HG23 0.08 -0.00 -0.10 -0.04 1.22 1.15 1dt6A1 ASP 346 H 0.09 0.52 -0.19 -0.55 8.40 8.28 1dt6A1 ASP 346 HA 0.11 -0.02 0.36 -0.75 4.63 4.33 1dt6A1 ASP 346 HB2 0.08 0.16 0.09 -0.04 2.71 2.99 1dt6A1 ASP 346 HB3 0.06 0.06 0.03 -0.04 2.70 2.80 1dt6A1 ALA 347 H -0.05 0.68 -0.13 -0.55 8.40 8.36 1dt6A1 ALA 347 HA -0.09 0.01 0.43 -0.75 4.34 3.93 1dt6A1 ALA 347 HB3 -0.09 0.07 0.04 -0.04 1.41 1.38 1dt6A1 VAL 348 H -0.27 0.58 -0.24 -0.55 8.24 7.76 1dt6A1 VAL 348 HA -0.24 -0.04 0.35 -0.75 4.13 3.44 1dt6A1 VAL 348 HB -0.13 0.18 0.17 -0.04 2.12 2.31 1dt6A1 VAL 348 HG13 0.08 -0.02 -0.19 -0.04 0.97 0.80 1dt6A1 VAL 348 HG23 -0.54 0.05 -0.01 -0.04 0.95 0.41 1dt6A1 ILE 349 H -0.04 0.59 0.04 -0.55 8.25 8.29 1dt6A1 ILE 349 HA 0.01 0.00 0.29 -0.75 4.18 3.74 1dt6A1 ILE 349 HB -0.02 0.06 0.05 -0.04 1.89 1.94 1dt6A1 ILE 349 HG12 0.04 -0.02 -0.05 -0.04 1.49 1.42 1dt6A1 ILE 349 HG13 0.04 0.19 0.05 -0.04 1.21 1.45 1dt6A1 ILE 349 HG23 0.02 -0.02 -0.10 -0.04 0.93 0.78 1dt6A1 ILE 349 HD13 0.15 -0.02 -0.14 -0.04 0.88 0.83 1dt6A1 HIS 350 H -0.14 0.56 -0.46 -0.55 8.41 7.83 1dt6A1 HIS 350 HA -0.28 -0.04 0.40 -0.75 4.63 3.96 1dt6A1 HIS 350 HB2 -0.77 0.22 0.23 -0.04 3.26 2.91 1dt6A1 HIS 350 HB3 -2.27 -0.06 -0.03 -0.04 3.20 0.80 1dt6A1 HIS 350 HD2 -0.23 0.14 -0.04 -0.04 6.97 6.80 1dt6A1 HIS 350 HE1 -0.50 -0.01 -0.03 -0.04 7.75 7.16 1dt6A1 GLU 351 H -0.33 0.78 0.06 -0.55 8.60 8.57 1dt6A1 GLU 351 HA -0.05 -0.00 0.36 -0.75 4.29 3.84 1dt6A1 GLU 351 HB2 -0.14 0.04 0.04 -0.04 2.09 1.98 1dt6A1 GLU 351 HB3 -0.37 0.06 0.05 -0.04 1.99 1.69 1dt6A1 GLU 351 HG2 -0.89 -0.21 -0.43 -0.04 2.34 0.77 1dt6A1 GLU 351 HG3 -0.54 0.01 -0.23 -0.04 2.34 1.54 1dt6A1 ILE 352 H 0.05 0.64 -0.28 -0.55 8.25 8.11 1dt6A1 ILE 352 HA 0.38 0.02 0.37 -0.75 4.18 4.20 1dt6A1 ILE 352 HB 0.08 0.12 0.09 -0.04 1.89 2.14 1dt6A1 ILE 352 HG12 0.05 -0.01 -0.04 -0.04 1.49 1.45 1dt6A1 ILE 352 HG13 0.37 0.05 -0.08 -0.04 1.21 1.51 1dt6A1 ILE 352 HG23 0.02 -0.01 -0.26 -0.04 0.93 0.63 1dt6A1 ILE 352 HD13 0.07 -0.03 -0.10 -0.04 0.88 0.78 1dt6A1 GLN 353 H 0.06 0.49 -0.13 -0.55 8.47 8.34 1dt6A1 GLN 353 HA -0.02 0.01 0.46 -0.75 4.36 4.06 1dt6A1 GLN 353 HB2 0.19 0.16 0.15 -0.04 2.15 2.61 1dt6A1 GLN 353 HB3 -0.09 -0.11 -0.02 -0.04 2.02 1.76 1dt6A1 GLN 353 HG2 -0.02 -0.04 -0.03 -0.04 2.40 2.27 1dt6A1 GLN 353 HG3 0.05 0.20 0.04 -0.04 2.39 2.63 1dt6A1 GLN 353 HE21 -0.27 -0.06 -0.13 -0.04 6.97 6.47 1dt6A1 GLN 353 HE22 -0.17 0.01 -0.09 -0.04 7.69 7.40 1dt6A1 ARG 354 H 0.14 0.47 -0.14 -0.55 8.46 8.38 1dt6A1 ARG 354 HA 0.03 -0.07 0.38 -0.75 4.34 3.93 1dt6A1 ARG 354 HB2 0.24 -0.07 0.07 -0.04 1.90 2.09 1dt6A1 ARG 354 HB3 0.04 0.07 0.12 -0.04 1.80 1.99 1dt6A1 ARG 354 HG2 -0.16 0.15 -0.04 -0.04 1.67 1.57 1dt6A1 ARG 354 HG3 -0.29 -0.14 0.08 -0.04 1.67 1.28 1dt6A1 ARG 354 HD2 -1.93 0.04 0.02 -0.04 3.22 1.31 1dt6A1 ARG 354 HD3 -0.66 -0.13 -0.04 -0.04 3.22 2.35 1dt6A1 PHE 355 H 0.22 0.60 -0.13 -0.55 8.34 8.48 1dt6A1 PHE 355 HA -0.03 0.14 0.40 -0.75 4.62 4.37 1dt6A1 PHE 355 HB2 0.09 -0.02 0.03 -0.04 3.15 3.21 1dt6A1 PHE 355 HB3 0.20 0.01 0.10 -0.04 3.06 3.32 1dt6A1 PHE 355 HD2 -0.04 0.07 -0.41 -0.04 7.28 6.86 1dt6A1 PHE 355 HE2 0.05 0.09 -0.17 -0.04 7.38 7.30 1dt6A1 PHE 355 HZ 0.08 -0.04 -0.05 -0.04 7.32 7.28 1dt6A1 ILE 356 H 0.10 0.59 -0.09 -0.55 8.25 8.30 1dt6A1 ILE 356 HA -0.20 0.08 0.36 -0.75 4.18 3.68 1dt6A1 ILE 356 HB -0.71 -0.00 0.02 -0.04 1.89 1.15 1dt6A1 ILE 356 HG12 -0.09 0.24 0.09 -0.04 1.49 1.70 1dt6A1 ILE 356 HG13 -0.12 -0.16 -0.31 -0.04 1.21 0.58 1dt6A1 ILE 356 HG23 -0.54 0.04 0.00 -0.04 0.93 0.38 1dt6A1 ILE 356 HD13 -0.06 -0.02 -0.06 -0.04 0.88 0.70 1dt6A1 ASP 357 H -0.02 0.32 -0.57 -0.55 8.40 7.58 1dt6A1 ASP 357 HA -0.09 -0.04 0.22 -0.75 4.63 3.96 1dt6A1 ASP 357 HB2 -0.17 0.20 -0.10 -0.04 2.71 2.60 1dt6A1 ASP 357 HB3 -0.17 0.11 -0.25 -0.04 2.70 2.35 1dt6A1 LEU 358 H -0.09 0.10 -0.14 -0.55 8.37 7.69 1dt6A1 LEU 358 HA -0.00 0.18 0.34 -0.75 4.35 4.11 1dt6A1 LEU 358 HB2 -0.06 0.03 0.01 -0.04 1.64 1.58 1dt6A1 LEU 358 HB3 -0.10 -0.05 0.00 -0.04 1.64 1.45 1dt6A1 LEU 358 HG -0.00 -0.07 -0.09 -0.04 1.64 1.44 1dt6A1 LEU 358 HD13 0.05 0.04 -0.05 -0.04 0.93 0.93 1dt6A1 LEU 358 HD23 -0.07 -0.03 -0.07 -0.04 0.89 0.67 1dt6A1 LEU 359 H -0.08 0.05 -0.39 -0.55 8.37 7.40 1dt6A1 LEU 359 HA 0.01 0.27 0.64 -0.75 4.35 4.52 1dt6A1 LEU 359 HB2 -0.09 -0.03 -0.01 -0.04 1.64 1.47 1dt6A1 LEU 359 HB3 -0.06 0.00 -0.07 -0.04 1.64 1.47 1dt6A1 LEU 359 HG -0.01 0.04 -0.09 -0.04 1.64 1.54 1dt6A1 LEU 359 HD13 -0.02 0.12 -0.44 -0.04 0.93 0.54 1dt6A1 LEU 359 HD23 -0.11 -0.03 -0.05 -0.04 0.89 0.66 1dt6A1 PRO 360 HA -0.09 -0.08 0.34 -0.51 4.44 4.10 1dt6A1 PRO 360 HB2 -0.02 -0.09 0.03 -0.04 2.28 2.16 1dt6A1 PRO 360 HB3 -0.06 -0.02 0.06 -0.04 2.02 1.96 1dt6A1 PRO 360 HG2 0.01 0.17 0.07 -0.04 2.03 2.25 1dt6A1 PRO 360 HG3 -0.02 0.04 0.02 -0.04 2.03 2.03 1dt6A1 PRO 360 HD2 0.01 0.30 -0.23 -0.04 3.68 3.72 1dt6A1 PRO 360 HD3 -0.05 0.57 -0.10 -0.04 3.65 4.03 1dt6A1 THR 361 H 0.02 0.30 -0.13 -0.55 8.28 7.93 1dt6A1 THR 361 HA -0.04 0.12 0.73 -0.75 4.39 4.45 1dt6A1 THR 361 HB 0.01 -0.01 -0.04 -0.04 4.32 4.25 1dt6A1 THR 361 HG23 0.02 -0.04 -0.13 -0.04 1.22 1.03 1dt6A1 ASN 362 H -0.09 0.12 0.10 -0.55 8.53 8.11 1dt6A1 ASN 362 HA -0.09 0.12 0.48 -0.75 4.76 4.53 1dt6A1 ASN 362 HB2 -0.09 -0.28 0.25 -0.04 2.88 2.73 1dt6A1 ASN 362 HB3 -0.10 0.05 0.11 -0.04 2.79 2.81 1dt6A1 ASN 362 HD21 -0.22 -0.07 0.06 -0.04 7.03 6.76 1dt6A1 ASN 362 HD22 -0.08 -0.02 0.05 -0.04 7.74 7.65 1dt6A1 LEU 363 H -0.09 0.05 0.12 -0.55 8.37 7.90 1dt6A1 LEU 363 HA -0.32 0.18 0.65 -0.75 4.35 4.12 1dt6A1 LEU 363 HB2 -0.04 -0.02 0.08 -0.04 1.64 1.63 1dt6A1 LEU 363 HB3 -0.00 0.07 0.08 -0.04 1.64 1.75 1dt6A1 LEU 363 HG -0.18 -0.08 0.03 -0.04 1.64 1.37 1dt6A1 LEU 363 HD13 -0.25 -0.01 -0.00 -0.04 0.93 0.63 1dt6A1 LEU 363 HD23 -0.57 0.03 -0.10 -0.04 0.89 0.20 1dt6A1 PRO 364 HA 0.04 0.02 0.56 -0.51 4.44 4.55 1dt6A1 PRO 364 HB2 0.03 0.31 0.10 -0.04 2.28 2.68 1dt6A1 PRO 364 HB3 0.06 -0.05 0.15 -0.04 2.02 2.14 1dt6A1 PRO 364 HG2 0.08 -0.08 0.04 -0.04 2.03 2.04 1dt6A1 PRO 364 HG3 0.07 0.06 0.06 -0.04 2.03 2.19 1dt6A1 PRO 364 HD2 0.02 -0.01 0.21 -0.04 3.68 3.87 1dt6A1 PRO 364 HD3 0.12 0.15 0.19 -0.04 3.65 4.07 1dt6A1 HIS 365 H 0.08 0.64 0.44 -0.55 8.41 9.03 1dt6A1 HIS 365 HA -0.08 0.56 0.65 -0.75 4.63 5.00 1dt6A1 HIS 365 HB2 -0.08 0.00 0.05 -0.04 3.26 3.20 1dt6A1 HIS 365 HB3 -0.04 -0.13 -0.04 -0.04 3.20 2.94 1dt6A1 HIS 365 HD2 -0.08 0.27 -0.33 -0.04 6.97 6.79 1dt6A1 HIS 365 HE1 -0.04 -0.20 0.06 -0.04 7.75 7.52 1dt6A1 ALA 366 H -0.06 -0.01 -0.11 -0.55 8.40 7.67 1dt6A1 ALA 366 HA -0.01 0.31 0.72 -0.75 4.34 4.61 1dt6A1 ALA 366 HB3 -0.06 -0.00 -0.25 -0.04 1.41 1.06 1dt6A1 VAL 367 H -0.05 0.36 0.09 -0.55 8.24 8.09 1dt6A1 VAL 367 HA -0.14 0.24 0.50 -0.75 4.13 3.98 1dt6A1 VAL 367 HB -0.32 0.04 -0.06 -0.04 2.12 1.73 1dt6A1 VAL 367 HG13 -0.20 0.01 -0.08 -0.04 0.97 0.67 1dt6A1 VAL 367 HG23 -0.16 -0.04 -0.19 -0.04 0.95 0.52 1dt6A1 THR 368 H -0.14 0.50 0.23 -0.55 8.28 8.33 1dt6A1 THR 368 HA -0.07 0.15 0.99 -0.75 4.39 4.70 1dt6A1 THR 368 HB -0.03 -0.08 0.29 -0.04 4.32 4.46 1dt6A1 THR 368 HG23 -0.07 0.00 -0.03 -0.04 1.22 1.08 1dt6A1 ARG 369 H -0.10 0.30 -0.07 -0.55 8.46 8.04 1dt6A1 ARG 369 HA -0.04 0.00 0.34 -0.75 4.34 3.88 1dt6A1 ARG 369 HB2 -0.03 0.48 0.76 -0.04 1.90 3.06 1dt6A1 ARG 369 HB3 -0.06 0.08 -0.04 -0.04 1.80 1.75 1dt6A1 ARG 369 HG2 -0.01 0.04 0.14 -0.04 1.67 1.80 1dt6A1 ARG 369 HG3 -0.02 -0.41 0.25 -0.04 1.67 1.46 1dt6A1 ARG 369 HD2 -0.01 -0.03 0.11 -0.04 3.22 3.24 1dt6A1 ARG 369 HD3 -0.01 0.06 0.11 -0.04 3.22 3.34 1dt6A1 ASP 370 H -0.04 0.14 0.18 -0.55 8.40 8.14 1dt6A1 ASP 370 HA -0.21 0.32 0.99 -0.75 4.63 4.97 1dt6A1 ASP 370 HB2 0.03 -0.02 0.08 -0.04 2.71 2.76 1dt6A1 ASP 370 HB3 -0.01 0.04 0.04 -0.04 2.70 2.73 1dt6A1 VAL 371 H -0.32 0.49 0.24 -0.55 8.24 8.10 1dt6A1 VAL 371 HA -0.07 0.09 0.60 -0.75 4.13 4.00 1dt6A1 VAL 371 HB -0.20 -0.05 -0.05 -0.04 2.12 1.78 1dt6A1 VAL 371 HG13 -0.28 0.02 -0.30 -0.04 0.97 0.36 1dt6A1 VAL 371 HG23 -0.36 0.00 -0.03 -0.04 0.95 0.52 1dt6A1 ARG 372 H 0.05 0.21 0.03 -0.55 8.46 8.20 1dt6A1 ARG 372 HA 0.19 0.12 0.94 -0.75 4.34 4.83 1dt6A1 ARG 372 HB2 0.13 0.11 0.12 -0.04 1.90 2.22 1dt6A1 ARG 372 HB3 0.21 0.02 -0.01 -0.04 1.80 1.98 1dt6A1 ARG 372 HG2 0.08 -0.07 0.08 -0.04 1.67 1.71 1dt6A1 ARG 372 HG3 0.07 0.02 0.11 -0.04 1.67 1.83 1dt6A1 ARG 372 HD2 0.05 0.00 0.01 -0.04 3.22 3.24 1dt6A1 ARG 372 HD3 0.08 0.04 -0.00 -0.04 3.22 3.30 1dt6A1 PHE 373 H 0.25 0.16 -0.28 -0.55 8.34 7.92 1dt6A1 PHE 373 HA 0.12 -0.01 0.36 -0.75 4.62 4.34 1dt6A1 PHE 373 HB2 0.20 -0.01 -0.00 -0.04 3.15 3.30 1dt6A1 PHE 373 HB3 0.15 -0.00 0.04 -0.04 3.06 3.21 1dt6A1 PHE 373 HD2 0.17 0.01 -0.13 -0.04 7.28 7.28 1dt6A1 PHE 373 HE2 -0.02 -0.00 -0.19 -0.04 7.38 7.13 1dt6A1 PHE 373 HZ -0.09 0.02 -0.03 -0.04 7.32 7.18 1dt6A1 ARG 374 H -0.24 0.05 0.18 -0.55 8.46 7.90 1dt6A1 ARG 374 HA -0.14 0.01 0.31 -0.75 4.34 3.76 1dt6A1 ARG 374 HB2 0.20 0.18 -0.01 -0.04 1.90 2.23 1dt6A1 ARG 374 HB3 -0.09 -0.03 0.10 -0.04 1.80 1.74 1dt6A1 ARG 374 HG2 -1.51 -0.22 -0.54 -0.04 1.67 -0.64 1dt6A1 ARG 374 HG3 -0.29 0.08 -0.26 -0.04 1.67 1.16 1dt6A1 ARG 374 HD2 -0.32 0.01 -0.02 -0.04 3.22 2.84 1dt6A1 ARG 374 HD3 -0.95 -0.02 -0.09 -0.04 3.22 2.12 1dt6A1 ASN 375 H -0.08 0.10 0.07 -0.55 8.53 8.08 1dt6A1 ASN 375 HA -0.05 0.07 0.51 -0.75 4.76 4.53 1dt6A1 ASN 375 HB2 -0.19 -0.04 0.21 -0.04 2.88 2.81 1dt6A1 ASN 375 HB3 -0.22 0.07 0.18 -0.04 2.79 2.78 1dt6A1 ASN 375 HD21 -0.05 -0.03 0.01 -0.04 7.03 6.91 1dt6A1 ASN 375 HD22 -0.08 0.04 0.02 -0.04 7.74 7.68 1dt6A1 TYR 376 H 0.14 0.30 -0.27 -0.55 8.29 7.91 1dt6A1 TYR 376 HA 0.11 0.21 0.73 -0.75 4.56 4.86 1dt6A1 TYR 376 HB2 0.17 0.41 -0.09 -0.04 3.06 3.50 1dt6A1 TYR 376 HB3 0.16 -0.07 -0.12 -0.04 2.98 2.92 1dt6A1 TYR 376 HD2 0.09 0.07 -0.31 -0.04 7.15 6.95 1dt6A1 TYR 376 HE2 0.08 -0.06 -0.00 -0.04 6.85 6.83 1dt6A1 PHE 377 H 0.33 0.03 0.03 -0.55 8.34 8.17 1dt6A1 PHE 377 HA 0.10 0.03 0.61 -0.75 4.62 4.61 1dt6A1 PHE 377 HB2 0.06 -0.13 -0.14 -0.04 3.15 2.90 1dt6A1 PHE 377 HB3 0.08 0.62 0.64 -0.04 3.06 4.36 1dt6A1 PHE 377 HD2 0.04 0.01 -0.14 -0.04 7.28 7.15 1dt6A1 PHE 377 HE2 0.02 -0.04 -0.11 -0.04 7.38 7.20 1dt6A1 PHE 377 HZ 0.01 -0.05 -0.10 -0.04 7.32 7.14 1dt6A1 ILE 378 H -0.35 0.71 0.39 -0.55 8.25 8.45 1dt6A1 ILE 378 HA -0.25 0.26 0.91 -0.75 4.18 4.34 1dt6A1 ILE 378 HB -0.21 -0.09 0.10 -0.04 1.89 1.66 1dt6A1 ILE 378 HG12 -0.06 0.01 -0.08 -0.04 1.49 1.32 1dt6A1 ILE 378 HG13 -0.03 0.13 -0.30 -0.04 1.21 0.96 1dt6A1 ILE 378 HG23 -0.14 0.02 -0.15 -0.04 0.93 0.62 1dt6A1 ILE 378 HD13 0.09 -0.04 -0.08 -0.04 0.88 0.82 1dt6A1 PRO 379 HA -0.29 -0.01 0.66 -0.51 4.44 4.29 1dt6A1 PRO 379 HB2 -0.02 0.09 -0.03 -0.04 2.28 2.28 1dt6A1 PRO 379 HB3 0.03 0.01 0.04 -0.04 2.02 2.05 1dt6A1 PRO 379 HG2 -0.06 0.02 0.07 -0.04 2.03 2.02 1dt6A1 PRO 379 HG3 0.03 0.06 0.04 -0.04 2.03 2.13 1dt6A1 PRO 379 HD2 -0.13 0.08 0.24 -0.04 3.68 3.83 1dt6A1 PRO 379 HD3 -0.19 0.25 0.07 -0.04 3.65 3.74 1dt6A1 LYS 380 H -0.09 -0.04 -0.04 -0.55 8.42 7.71 1dt6A1 LYS 380 HA -0.10 0.06 0.42 -0.75 4.32 3.94 1dt6A1 LYS 380 HB2 -0.05 -0.21 0.06 -0.04 1.87 1.63 1dt6A1 LYS 380 HB3 -0.03 -0.02 0.08 -0.04 1.79 1.78 1dt6A1 LYS 380 HG2 -0.03 0.01 -0.18 -0.04 1.46 1.22 1dt6A1 LYS 380 HG3 -0.05 0.06 -0.00 -0.04 1.46 1.42 1dt6A1 LYS 380 HD2 -0.02 0.02 -0.11 -0.04 1.69 1.54 1dt6A1 LYS 380 HD3 -0.03 -0.02 -0.17 -0.04 1.68 1.42 1dt6A1 LYS 380 HE2 -0.01 -0.04 -0.00 -0.04 2.99 2.90 1dt6A1 LYS 380 HE3 -0.01 0.01 -0.03 -0.04 2.99 2.92 1dt6A1 GLY 381 H -0.08 0.41 0.21 -0.55 8.43 8.43 1dt6A1 GLY 381 HA2 -0.05 -0.02 0.34 -0.51 4.01 3.77 1dt6A1 GLY 381 HA3 -0.04 0.11 0.71 -0.51 4.01 4.28 1dt6A1 THR 382 H -0.08 0.38 -0.05 -0.55 8.28 7.98 1dt6A1 THR 382 HA -0.06 0.10 0.46 -0.75 4.39 4.14 1dt6A1 THR 382 HB -0.09 -0.14 -0.02 -0.04 4.32 4.03 1dt6A1 THR 382 HG23 -0.09 0.04 -0.05 -0.04 1.22 1.08 1dt6A1 ASP 383 H -0.06 0.32 0.33 -0.55 8.40 8.44 1dt6A1 ASP 383 HA -0.03 0.22 0.85 -0.75 4.63 4.91 1dt6A1 ASP 383 HB2 -0.06 -0.06 0.22 -0.04 2.71 2.77 1dt6A1 ASP 383 HB3 -0.04 0.06 0.08 -0.04 2.70 2.76 1dt6A1 ILE 384 H -0.01 0.89 0.27 -0.55 8.25 8.86 1dt6A1 ILE 384 HA -0.11 0.38 0.95 -0.75 4.18 4.64 1dt6A1 ILE 384 HB 0.03 -0.09 -0.12 -0.04 1.89 1.67 1dt6A1 ILE 384 HG12 0.04 0.05 -0.28 -0.04 1.49 1.26 1dt6A1 ILE 384 HG13 0.34 -0.06 -0.17 -0.04 1.21 1.27 1dt6A1 ILE 384 HG23 -0.29 -0.01 -0.18 -0.04 0.93 0.40 1dt6A1 ILE 384 HD13 -0.02 0.03 -0.19 -0.04 0.88 0.66 1dt6A1 ILE 385 H -0.17 0.49 0.25 -0.55 8.25 8.27 1dt6A1 ILE 385 HA -0.11 0.15 0.80 -0.75 4.18 4.26 1dt6A1 ILE 385 HB -0.04 0.03 -0.00 -0.04 1.89 1.84 1dt6A1 ILE 385 HG12 -0.11 0.02 0.02 -0.04 1.49 1.38 1dt6A1 ILE 385 HG13 -0.07 -0.05 -0.24 -0.04 1.21 0.81 1dt6A1 ILE 385 HG23 -0.04 0.05 -0.29 -0.04 0.93 0.60 1dt6A1 ILE 385 HD13 0.00 0.00 -0.11 -0.04 0.88 0.74 1dt6A1 THR 386 H -0.20 0.21 0.10 -0.55 8.28 7.84 1dt6A1 THR 386 HA -0.20 0.24 1.08 -0.75 4.39 4.75 1dt6A1 THR 386 HB -0.21 0.05 -0.05 -0.04 4.32 4.07 1dt6A1 THR 386 HG23 -0.36 -0.00 -0.09 -0.04 1.22 0.73 1dt6A1 SER 387 H -0.11 0.60 0.27 -0.55 8.46 8.68 1dt6A1 SER 387 HA -0.07 0.13 0.60 -0.75 4.49 4.40 1dt6A1 SER 387 HB2 0.07 0.01 0.08 -0.04 3.95 4.07 1dt6A1 SER 387 HB3 -0.21 0.11 0.32 -0.04 3.93 4.11 1dt6A1 LEU 388 H -0.09 0.58 0.51 -0.55 8.37 8.82 1dt6A1 LEU 388 HA -0.08 -0.00 0.46 -0.75 4.35 3.97 1dt6A1 LEU 388 HB2 -0.09 0.25 0.11 -0.04 1.64 1.87 1dt6A1 LEU 388 HB3 -0.09 -0.05 -0.01 -0.04 1.64 1.45 1dt6A1 LEU 388 HG -0.11 0.05 0.12 -0.04 1.64 1.66 1dt6A1 LEU 388 HD13 -0.10 0.06 0.02 -0.04 0.93 0.87 1dt6A1 LEU 388 HD23 -0.08 -0.01 0.01 -0.04 0.89 0.77 1dt6A1 THR 389 H -0.11 0.44 0.07 -0.55 8.28 8.14 1dt6A1 THR 389 HA -0.24 0.12 0.34 -0.75 4.39 3.85 1dt6A1 THR 389 HB -0.21 0.06 0.08 -0.04 4.32 4.22 1dt6A1 THR 389 HG23 -0.08 0.03 0.01 -0.04 1.22 1.14 1dt6A1 SER 390 H -0.14 0.08 -0.56 -0.55 8.46 7.29 1dt6A1 SER 390 HA -0.06 0.03 0.18 -0.75 4.49 3.89 1dt6A1 SER 390 HB2 -0.72 -0.10 0.03 -0.04 3.95 3.13 1dt6A1 SER 390 HB3 -0.57 -0.14 0.09 -0.04 3.93 3.26 1dt6A1 VAL 391 H -0.03 0.30 -0.28 -0.55 8.24 7.68 1dt6A1 VAL 391 HA 0.16 -0.02 0.70 -0.75 4.13 4.22 1dt6A1 VAL 391 HB 0.05 0.06 0.16 -0.04 2.12 2.35 1dt6A1 VAL 391 HG13 -0.03 0.01 0.00 -0.04 0.97 0.92 1dt6A1 VAL 391 HG23 0.05 -0.01 0.01 -0.04 0.95 0.96 1dt6A1 LEU 392 H 0.06 0.70 0.15 -0.55 8.37 8.74 1dt6A1 LEU 392 HA 0.23 0.03 0.49 -0.75 4.35 4.34 1dt6A1 LEU 392 HB2 -0.00 0.07 0.09 -0.04 1.64 1.76 1dt6A1 LEU 392 HB3 0.18 0.21 -0.01 -0.04 1.64 1.98 1dt6A1 LEU 392 HG 0.01 -0.03 0.10 -0.04 1.64 1.68 1dt6A1 LEU 392 HD13 -0.03 0.03 -0.05 -0.04 0.93 0.84 1dt6A1 LEU 392 HD23 -0.09 -0.01 -0.08 -0.04 0.89 0.67 1dt6A1 HIS 393 H 0.19 0.53 -0.34 -0.55 8.41 8.25 1dt6A1 HIS 393 HA 0.05 0.27 0.89 -0.75 4.63 5.09 1dt6A1 HIS 393 HB2 0.01 0.06 -0.02 -0.04 3.26 3.27 1dt6A1 HIS 393 HB3 0.01 -0.12 0.07 -0.04 3.20 3.11 1dt6A1 HIS 393 HD2 -0.07 -0.08 -0.66 -0.04 6.97 6.11 1dt6A1 HIS 393 HE1 -0.31 -0.02 -0.03 -0.04 7.75 7.35 1dt6A1 ASP 394 H 0.30 0.41 -0.36 -0.55 8.40 8.20 1dt6A1 ASP 394 HA 0.12 0.02 0.52 -0.75 4.63 4.54 1dt6A1 ASP 394 HB2 0.30 0.18 0.30 -0.04 2.71 3.45 1dt6A1 ASP 394 HB3 -0.01 -0.02 0.21 -0.04 2.70 2.84 1dt6A1 GLU 395 H 0.05 0.10 0.22 -0.55 8.60 8.42 1dt6A1 GLU 395 HA 0.02 0.41 0.43 -0.75 4.29 4.39 1dt6A1 GLU 395 HB2 0.02 0.06 0.16 -0.04 2.09 2.29 1dt6A1 GLU 395 HB3 0.04 0.07 0.16 -0.04 1.99 2.21 1dt6A1 GLU 395 HG2 0.04 -0.14 0.13 -0.04 2.34 2.32 1dt6A1 GLU 395 HG3 0.02 -0.03 -0.09 -0.04 2.34 2.21 1dt6A1 LYS 396 H -0.10 -0.03 -0.16 -0.55 8.42 7.57 1dt6A1 LYS 396 HA -0.08 0.20 0.74 -0.75 4.32 4.42 1dt6A1 LYS 396 HB2 -0.12 -0.08 0.07 -0.04 1.87 1.70 1dt6A1 LYS 396 HB3 -0.11 0.03 0.01 -0.04 1.79 1.68 1dt6A1 LYS 396 HG2 -0.03 0.07 -0.02 -0.04 1.46 1.44 1dt6A1 LYS 396 HG3 -0.01 -0.05 -0.03 -0.04 1.46 1.32 1dt6A1 LYS 396 HD2 -0.02 0.01 0.00 -0.04 1.69 1.65 1dt6A1 LYS 396 HD3 0.00 0.01 -0.00 -0.04 1.68 1.65 1dt6A1 LYS 396 HE2 0.04 -0.01 0.02 -0.04 2.99 2.99 1dt6A1 LYS 396 HE3 0.01 -0.02 0.01 -0.04 2.99 2.96 1dt6A1 ALA 397 H -0.43 -0.05 -0.16 -0.55 8.40 7.21 1dt6A1 ALA 397 HA -0.68 0.06 0.46 -0.75 4.34 3.42 1dt6A1 ALA 397 HB3 -1.58 -0.00 0.07 -0.04 1.41 -0.15 1dt6A1 PHE 398 H -0.26 0.41 -0.23 -0.55 8.34 7.71 1dt6A1 PHE 398 HA -0.06 0.16 0.77 -0.75 4.62 4.73 1dt6A1 PHE 398 HB2 -0.27 0.11 0.08 -0.04 3.15 3.03 1dt6A1 PHE 398 HB3 -0.72 -0.03 0.01 -0.04 3.06 2.28 1dt6A1 PHE 398 HD2 -0.17 0.10 -0.02 -0.04 7.28 7.14 1dt6A1 PHE 398 HE2 -0.27 0.05 -0.01 -0.04 7.38 7.10 1dt6A1 PHE 398 HZ 0.13 -0.32 -0.16 -0.04 7.32 6.93 1dt6A1 PRO 399 HA 0.03 0.18 0.33 -0.51 4.44 4.47 1dt6A1 PRO 399 HB2 0.16 -0.08 0.01 -0.04 2.28 2.33 1dt6A1 PRO 399 HB3 0.05 -0.02 0.08 -0.04 2.02 2.09 1dt6A1 PRO 399 HG2 0.02 -0.00 -0.01 -0.04 2.03 2.00 1dt6A1 PRO 399 HG3 -0.00 0.04 0.03 -0.04 2.03 2.05 1dt6A1 PRO 399 HD2 0.13 0.13 -0.03 -0.04 3.68 3.88 1dt6A1 PRO 399 HD3 -0.07 0.25 -0.38 -0.04 3.65 3.41 1dt6A1 ASN 400 H 0.19 0.05 -0.00 -0.55 8.53 8.23 1dt6A1 ASN 400 HA 0.07 0.11 0.71 -0.75 4.76 4.90 1dt6A1 ASN 400 HB2 0.12 -0.01 0.19 -0.04 2.88 3.14 1dt6A1 ASN 400 HB3 0.09 -0.02 0.08 -0.04 2.79 2.89 1dt6A1 ASN 400 HD21 0.04 -0.02 -0.01 -0.04 7.03 6.99 1dt6A1 ASN 400 HD22 0.05 0.01 0.01 -0.04 7.74 7.76 1dt6A1 PRO 401 HA -0.22 0.07 0.32 -0.51 4.44 4.10 1dt6A1 PRO 401 HB2 -0.05 -0.05 -0.07 -0.04 2.28 2.07 1dt6A1 PRO 401 HB3 0.01 -0.02 -0.18 -0.04 2.02 1.79 1dt6A1 PRO 401 HG2 0.05 -0.10 0.01 -0.04 2.03 1.95 1dt6A1 PRO 401 HG3 0.04 0.13 -0.08 -0.04 2.03 2.07 1dt6A1 PRO 401 HD2 0.03 -0.16 0.16 -0.04 3.68 3.67 1dt6A1 PRO 401 HD3 0.05 0.40 0.72 -0.04 3.65 4.77 1dt6A1 LYS 402 H 0.01 0.04 -0.36 -0.55 8.42 7.56 1dt6A1 LYS 402 HA -0.15 0.20 0.58 -0.75 4.32 4.19 1dt6A1 LYS 402 HB2 0.05 -0.05 -0.01 -0.04 1.87 1.83 1dt6A1 LYS 402 HB3 0.05 -0.02 0.13 -0.04 1.79 1.91 1dt6A1 LYS 402 HG2 0.03 -0.01 -0.02 -0.04 1.46 1.43 1dt6A1 LYS 402 HG3 0.04 -0.05 0.00 -0.04 1.46 1.42 1dt6A1 LYS 402 HD2 0.01 0.01 -0.01 -0.04 1.69 1.66 1dt6A1 LYS 402 HD3 -0.05 0.10 -0.23 -0.04 1.68 1.46 1dt6A1 LYS 402 HE2 0.12 0.01 -0.05 -0.04 2.99 3.03 1dt6A1 LYS 402 HE3 0.08 -0.06 -0.03 -0.04 2.99 2.94 1dt6A1 VAL 403 H 0.14 0.58 -0.42 -0.55 8.24 7.99 1dt6A1 VAL 403 HA 0.25 0.14 0.95 -0.75 4.13 4.72 1dt6A1 VAL 403 HB 0.20 0.17 0.09 -0.04 2.12 2.53 1dt6A1 VAL 403 HG13 0.06 -0.04 -0.34 -0.04 0.97 0.61 1dt6A1 VAL 403 HG23 0.11 -0.05 -0.11 -0.04 0.95 0.86 1dt6A1 PHE 404 H 0.10 0.14 0.08 -0.55 8.34 8.11 1dt6A1 PHE 404 HA -0.15 0.12 0.46 -0.75 4.62 4.29 1dt6A1 PHE 404 HB2 -1.23 0.07 0.05 -0.04 3.15 1.99 1dt6A1 PHE 404 HB3 -0.64 -0.03 0.15 -0.04 3.06 2.50 1dt6A1 PHE 404 HD2 -0.59 0.03 -0.12 -0.04 7.28 6.55 1dt6A1 PHE 404 HE2 -0.13 -0.04 -0.23 -0.04 7.38 6.94 1dt6A1 PHE 404 HZ -0.11 -0.02 -0.14 -0.04 7.32 7.01 1dt6A1 ASP 405 H -0.31 0.31 0.08 -0.55 8.40 7.93 1dt6A1 ASP 405 HA -0.29 0.14 0.66 -0.75 4.63 4.38 1dt6A1 ASP 405 HB2 -0.15 0.13 -0.26 -0.04 2.71 2.39 1dt6A1 ASP 405 HB3 -0.32 0.11 -0.02 -0.04 2.70 2.43 1dt6A1 PRO 406 HA -0.20 0.16 0.30 -0.51 4.44 4.19 1dt6A1 PRO 406 HB2 -0.12 0.01 -0.08 -0.04 2.28 2.04 1dt6A1 PRO 406 HB3 -0.41 0.04 -0.11 -0.04 2.02 1.50 1dt6A1 PRO 406 HG2 -0.18 0.04 -0.00 -0.04 2.03 1.84 1dt6A1 PRO 406 HG3 -0.40 0.07 -0.04 -0.04 2.03 1.62 1dt6A1 PRO 406 HD2 -0.11 0.09 0.13 -0.04 3.68 3.74 1dt6A1 PRO 406 HD3 -0.49 0.19 -0.02 -0.04 3.65 3.30 1dt6A1 GLY 407 H -0.13 0.05 -0.61 -0.55 8.43 7.20 1dt6A1 GLY 407 HA2 -0.02 0.04 0.28 -0.51 4.01 3.80 1dt6A1 GLY 407 HA3 -0.12 0.05 0.18 -0.51 4.01 3.61 1dt6A1 HIS 408 H -0.21 0.38 -0.25 -0.55 8.41 7.79 1dt6A1 HIS 408 HA -0.01 0.02 0.30 -0.75 4.63 4.18 1dt6A1 HIS 408 HB2 0.10 0.05 0.02 -0.04 3.26 3.39 1dt6A1 HIS 408 HB3 0.04 -0.02 0.06 -0.04 3.20 3.23 1dt6A1 HIS 408 HD2 0.09 -0.02 -0.08 -0.04 6.97 6.91 1dt6A1 HIS 408 HE1 0.01 0.24 -0.03 -0.04 7.75 7.93 1dt6A1 PHE 409 H 0.17 0.42 -0.94 -0.55 8.34 7.44 1dt6A1 PHE 409 HA 0.01 0.12 0.91 -0.75 4.62 4.90 1dt6A1 PHE 409 HB2 -0.08 0.10 0.10 -0.04 3.15 3.22 1dt6A1 PHE 409 HB3 -0.14 -0.13 0.20 -0.04 3.06 2.94 1dt6A1 PHE 409 HD2 -0.20 -0.05 -0.15 -0.04 7.28 6.84 1dt6A1 PHE 409 HE2 -0.30 -0.01 -0.10 -0.04 7.38 6.93 1dt6A1 PHE 409 HZ 0.20 -0.03 -0.09 -0.04 7.32 7.35 1dt6A1 LEU 410 H 0.03 0.84 0.17 -0.55 8.37 8.86 1dt6A1 LEU 410 HA 0.07 0.35 0.89 -0.75 4.35 4.91 1dt6A1 LEU 410 HB2 0.03 -0.03 0.00 -0.04 1.64 1.60 1dt6A1 LEU 410 HB3 0.04 -0.01 0.06 -0.04 1.64 1.69 1dt6A1 LEU 410 HG 0.06 0.12 -0.40 -0.04 1.64 1.37 1dt6A1 LEU 410 HD13 0.17 -0.04 -0.21 -0.04 0.93 0.81 1dt6A1 LEU 410 HD23 0.09 -0.01 -0.14 -0.04 0.89 0.79 1dt6A1 ASP 411 H 0.07 0.20 0.26 -0.55 8.40 8.39 1dt6A1 ASP 411 HA 0.01 0.15 0.92 -0.75 4.63 4.96 1dt6A1 ASP 411 HB2 0.05 -0.07 0.04 -0.04 2.71 2.69 1dt6A1 ASP 411 HB3 0.08 0.15 0.03 -0.04 2.70 2.92 1dt6A1 GLU 412 H 0.00 0.17 0.10 -0.55 8.60 8.32 1dt6A1 GLU 412 HA -0.01 0.05 0.29 -0.75 4.29 3.85 1dt6A1 GLU 412 HB2 -0.01 0.03 0.14 -0.04 2.09 2.20 1dt6A1 GLU 412 HB3 -0.00 0.00 0.14 -0.04 1.99 2.09 1dt6A1 GLU 412 HG2 -0.01 -0.01 0.07 -0.04 2.34 2.35 1dt6A1 GLU 412 HG3 -0.01 -0.01 0.19 -0.04 2.34 2.47 1dt6A1 SER 413 H -0.00 1.09 -0.45 -0.55 8.46 8.55 1dt6A1 SER 413 HA -0.01 0.02 0.60 -0.75 4.49 4.35 1dt6A1 SER 413 HB2 0.03 0.04 -0.09 -0.04 3.95 3.89 1dt6A1 SER 413 HB3 0.08 -0.04 -0.12 -0.04 3.93 3.81 1dt6A1 GLY 414 H -0.08 0.03 0.03 -0.55 8.43 7.86 1dt6A1 GLY 414 HA2 -0.18 -0.06 0.36 -0.51 4.01 3.62 1dt6A1 GLY 414 HA3 -0.37 0.16 0.63 -0.51 4.01 3.92 1dt6A1 ASN 415 H -0.27 0.05 0.17 -0.55 8.53 7.93 1dt6A1 ASN 415 HA -0.05 0.09 0.58 -0.75 4.76 4.63 1dt6A1 ASN 415 HB2 -0.06 -0.01 0.08 -0.04 2.88 2.85 1dt6A1 ASN 415 HB3 0.07 -0.02 -0.04 -0.04 2.79 2.76 1dt6A1 ASN 415 HD21 -0.09 0.04 0.01 -0.04 7.03 6.95 1dt6A1 ASN 415 HD22 -0.02 0.00 0.05 -0.04 7.74 7.73 1dt6A1 PHE 416 H 0.10 0.22 0.18 -0.55 8.34 8.29 1dt6A1 PHE 416 HA 0.02 -0.02 0.44 -0.75 4.62 4.30 1dt6A1 PHE 416 HB2 0.00 -0.03 -0.12 -0.04 3.15 2.97 1dt6A1 PHE 416 HB3 -0.00 0.03 0.02 -0.04 3.06 3.07 1dt6A1 PHE 416 HD2 0.01 -0.08 0.07 -0.04 7.28 7.24 1dt6A1 PHE 416 HE2 0.01 -0.05 0.05 -0.04 7.38 7.35 1dt6A1 PHE 416 HZ 0.00 -0.07 0.04 -0.04 7.32 7.26 1dt6A1 LYS 417 H 0.14 0.04 0.13 -0.55 8.42 8.17 1dt6A1 LYS 417 HA 0.06 0.37 0.43 -0.75 4.32 4.43 1dt6A1 LYS 417 HB2 0.01 -0.04 0.16 -0.04 1.87 1.95 1dt6A1 LYS 417 HB3 -0.00 0.00 0.09 -0.04 1.79 1.84 1dt6A1 LYS 417 HG2 -0.09 0.10 0.07 -0.04 1.46 1.49 1dt6A1 LYS 417 HG3 -0.06 -0.65 0.20 -0.04 1.46 0.91 1dt6A1 LYS 417 HD2 -0.17 -0.02 -0.02 -0.04 1.69 1.44 1dt6A1 LYS 417 HD3 -0.76 0.00 -0.03 -0.04 1.68 0.85 1dt6A1 LYS 417 HE2 -0.01 -0.05 -0.00 -0.04 2.99 2.88 1dt6A1 LYS 417 HE3 -0.06 -0.03 -0.34 -0.04 2.99 2.52 1dt6A1 LYS 418 H -0.01 0.10 0.07 -0.55 8.42 8.03 1dt6A1 LYS 418 HA -0.02 0.05 0.32 -0.75 4.32 3.91 1dt6A1 LYS 418 HB2 -0.08 0.03 -0.07 -0.04 1.87 1.70 1dt6A1 LYS 418 HB3 -0.09 -0.18 0.17 -0.04 1.79 1.65 1dt6A1 LYS 418 HG2 -0.02 -0.11 0.05 -0.04 1.46 1.34 1dt6A1 LYS 418 HG3 0.02 0.79 -0.05 -0.04 1.46 2.18 1dt6A1 LYS 418 HD2 0.00 -0.04 -0.55 -0.04 1.69 1.06 1dt6A1 LYS 418 HD3 -0.05 0.03 -0.33 -0.04 1.68 1.29 1dt6A1 LYS 418 HE2 -0.08 -0.05 -0.01 -0.04 2.99 2.80 1dt6A1 LYS 418 HE3 -0.04 -0.08 -0.03 -0.04 2.99 2.80 1dt6A1 SER 419 H -0.12 0.15 0.11 -0.55 8.46 8.05 1dt6A1 SER 419 HA -0.05 -0.02 0.47 -0.75 4.49 4.14 1dt6A1 SER 419 HB2 0.25 0.00 -0.12 -0.04 3.95 4.04 1dt6A1 SER 419 HB3 0.01 0.36 -0.20 -0.04 3.93 4.06 1dt6A1 ASP 420 H 0.20 -0.06 0.20 -0.55 8.40 8.19 1dt6A1 ASP 420 HA 0.17 0.16 0.38 -0.75 4.63 4.58 1dt6A1 ASP 420 HB2 0.05 0.12 -0.24 -0.04 2.71 2.61 1dt6A1 ASP 420 HB3 0.11 -0.03 -0.08 -0.04 2.70 2.66 1dt6A1 TYR 421 H 0.30 0.12 0.13 -0.55 8.29 8.29 1dt6A1 TYR 421 HA -0.19 0.15 0.68 -0.75 4.56 4.45 1dt6A1 TYR 421 HB2 -0.15 0.02 0.09 -0.04 3.06 2.98 1dt6A1 TYR 421 HB3 0.13 0.25 0.15 -0.04 2.98 3.46 1dt6A1 TYR 421 HD2 -0.26 0.05 -0.03 -0.04 7.15 6.87 1dt6A1 TYR 421 HE2 -0.23 -0.02 0.01 -0.04 6.85 6.57 1dt6A1 PHE 422 H 0.46 -0.06 -0.66 -0.55 8.34 7.52 1dt6A1 PHE 422 HA 0.29 0.16 0.52 -0.75 4.62 4.84 1dt6A1 PHE 422 HB2 0.48 -0.08 0.04 -0.04 3.15 3.54 1dt6A1 PHE 422 HB3 0.29 0.04 0.09 -0.04 3.06 3.43 1dt6A1 PHE 422 HD2 0.35 0.02 -0.02 -0.04 7.28 7.59 1dt6A1 PHE 422 HE2 0.07 0.10 0.00 -0.04 7.38 7.51 1dt6A1 PHE 422 HZ -0.10 0.01 -0.02 -0.04 7.32 7.16 1dt6A1 MET 423 H 0.01 0.38 -0.04 -0.55 8.47 8.27 1dt6A1 MET 423 HA -0.01 0.26 0.76 -0.75 4.52 4.78 1dt6A1 MET 423 HB2 0.04 0.06 -0.13 -0.04 2.15 2.07 1dt6A1 MET 423 HB3 -0.02 -0.08 0.11 -0.04 2.03 2.00 1dt6A1 MET 423 HG2 0.03 0.10 -0.35 -0.04 2.63 2.37 1dt6A1 MET 423 HG3 0.08 0.08 -0.23 -0.04 2.56 2.46 1dt6A1 MET 423 HE3 0.23 0.00 -0.09 -0.04 2.10 2.19 1dt6A1 PRO 424 HA -0.22 0.13 0.48 -0.51 4.44 4.32 1dt6A1 PRO 424 HB2 -0.44 0.01 -0.03 -0.04 2.28 1.78 1dt6A1 PRO 424 HB3 -0.32 0.13 -0.05 -0.04 2.02 1.74 1dt6A1 PRO 424 HG2 -0.44 0.00 -0.11 -0.04 2.03 1.45 1dt6A1 PRO 424 HG3 -0.80 0.07 -0.09 -0.04 2.03 1.16 1dt6A1 PRO 424 HD2 -0.88 0.25 -0.34 -0.04 3.68 2.67 1dt6A1 PRO 424 HD3 -1.03 0.06 -0.16 -0.04 3.65 2.48 1dt6A1 PHE 425 H 0.03 0.20 -0.35 -0.55 8.34 7.66 1dt6A1 PHE 425 HA -0.06 0.14 0.68 -0.75 4.62 4.62 1dt6A1 PHE 425 HB2 -0.04 0.12 0.00 -0.04 3.15 3.20 1dt6A1 PHE 425 HB3 -0.02 -0.14 0.13 -0.04 3.06 3.00 1dt6A1 PHE 425 HD2 -0.06 -0.03 -0.05 -0.04 7.28 7.10 1dt6A1 PHE 425 HE2 0.01 -0.00 -0.12 -0.04 7.38 7.22 1dt6A1 PHE 425 HZ -0.00 0.01 -0.16 -0.04 7.32 7.13 1dt6A1 SER 426 H -0.04 0.38 -0.60 -0.55 8.46 7.66 1dt6A1 SER 426 HA -0.03 0.10 0.26 -0.75 4.49 4.06 1dt6A1 SER 426 HB2 -0.00 0.03 -0.19 -0.04 3.95 3.75 1dt6A1 SER 426 HB3 0.06 0.07 0.33 -0.04 3.93 4.34 1dt6A1 ALA 427 H 0.03 -0.08 0.13 -0.55 8.40 7.93 1dt6A1 ALA 427 HA 0.07 0.15 0.40 -0.75 4.34 4.20 1dt6A1 ALA 427 HB3 0.04 0.03 -0.13 -0.04 1.41 1.32 1dt6A1 GLY 428 H 0.08 -0.10 0.05 -0.55 8.43 7.92 1dt6A1 GLY 428 HA2 0.08 0.50 0.43 -0.51 4.01 4.51 1dt6A1 GLY 428 HA3 0.14 -0.05 0.45 -0.51 4.01 4.03 1dt6A1 LYS 429 H 0.16 0.27 0.19 -0.55 8.42 8.49 1dt6A1 LYS 429 HA 0.15 0.18 0.71 -0.75 4.32 4.61 1dt6A1 LYS 429 HB2 0.30 0.07 0.03 -0.04 1.87 2.24 1dt6A1 LYS 429 HB3 0.32 -0.02 0.12 -0.04 1.79 2.17 1dt6A1 LYS 429 HG2 0.12 0.06 -0.01 -0.04 1.46 1.58 1dt6A1 LYS 429 HG3 0.14 0.06 -0.07 -0.04 1.46 1.54 1dt6A1 LYS 429 HD2 0.16 -0.05 -0.31 -0.04 1.69 1.45 1dt6A1 LYS 429 HD3 0.17 -0.01 -0.03 -0.04 1.68 1.76 1dt6A1 LYS 429 HE2 0.08 0.02 -0.03 -0.04 2.99 3.02 1dt6A1 LYS 429 HE3 0.07 -0.05 -0.02 -0.04 2.99 2.95 1dt6A1 ARG 430 H 0.16 -0.11 -0.03 -0.55 8.46 7.93 1dt6A1 ARG 430 HA 0.26 0.22 0.67 -0.75 4.34 4.74 1dt6A1 ARG 430 HB2 -0.10 -0.07 0.08 -0.04 1.90 1.77 1dt6A1 ARG 430 HB3 -0.04 -0.00 0.11 -0.04 1.80 1.82 1dt6A1 ARG 430 HG2 -0.14 0.04 0.03 -0.04 1.67 1.56 1dt6A1 ARG 430 HG3 -0.55 0.02 -0.08 -0.04 1.67 1.01 1dt6A1 ARG 430 HD2 -0.62 0.13 -0.08 -0.04 3.22 2.61 1dt6A1 ARG 430 HD3 -0.65 -0.01 0.02 -0.04 3.22 2.54 1dt6A1 MET 431 H 0.13 0.10 -0.61 -0.55 8.47 7.54 1dt6A1 MET 431 HA 0.09 -0.03 0.32 -0.75 4.52 4.15 1dt6A1 MET 431 HB2 0.09 0.14 -0.23 -0.04 2.15 2.11 1dt6A1 MET 431 HB3 0.08 0.11 -0.20 -0.04 2.03 1.97 1dt6A1 MET 431 HG2 0.11 0.19 -0.13 -0.04 2.63 2.76 1dt6A1 MET 431 HG3 0.08 -0.21 -0.64 -0.04 2.56 1.75 1dt6A1 MET 431 HE3 0.02 -0.00 -0.13 -0.04 2.10 1.95 1dt6A1 CYS 432 H 0.14 0.54 0.19 -0.55 8.50 8.82 1dt6A1 CYS 432 HA 0.08 0.06 0.33 -0.75 4.58 4.30 1dt6A1 CYS 432 HB2 0.28 0.15 0.17 -0.04 2.97 3.53 1dt6A1 CYS 432 HB3 0.27 -0.08 0.03 -0.04 2.97 3.15 1dt6A1 VAL 433 H 0.05 0.05 0.15 -0.55 8.24 7.93 1dt6A1 VAL 433 HA 0.03 0.28 0.73 -0.75 4.13 4.40 1dt6A1 VAL 433 HB 0.02 -0.04 -0.05 -0.04 2.12 2.00 1dt6A1 VAL 433 HG13 0.04 0.02 -0.10 -0.04 0.97 0.90 1dt6A1 VAL 433 HG23 0.06 0.03 -0.10 -0.04 0.95 0.90 1dt6A1 GLY 434 H 0.04 0.02 0.05 -0.55 8.43 8.00 1dt6A1 GLY 434 HA2 -0.02 0.23 0.55 -0.51 4.01 4.25 1dt6A1 GLY 434 HA3 0.01 0.08 0.24 -0.51 4.01 3.82 1dt6A1 GLU 435 H 0.00 0.08 -0.49 -0.55 8.60 7.65 1dt6A1 GLU 435 HA -0.60 0.03 0.18 -0.75 4.29 3.15 1dt6A1 GLU 435 HB2 -0.32 0.04 -0.06 -0.04 2.09 1.71 1dt6A1 GLU 435 HB3 -0.22 0.04 -0.13 -0.04 1.99 1.64 1dt6A1 GLU 435 HG2 -0.51 0.00 -0.46 -0.04 2.34 1.32 1dt6A1 GLU 435 HG3 -1.66 -0.03 -0.09 -0.04 2.34 0.53 1dt6A1 GLY 436 H -0.14 0.19 -0.40 -0.55 8.43 7.53 1dt6A1 GLY 436 HA2 -0.13 0.03 0.33 -0.51 4.01 3.73 1dt6A1 GLY 436 HA3 -0.09 0.07 0.31 -0.51 4.01 3.80 1dt6A1 LEU 437 H -0.06 0.24 0.04 -0.55 8.37 8.04 1dt6A1 LEU 437 HA -0.06 -0.06 0.34 -0.75 4.35 3.81 1dt6A1 LEU 437 HB2 -0.07 -0.06 0.09 -0.04 1.64 1.56 1dt6A1 LEU 437 HB3 -0.06 0.07 0.13 -0.04 1.64 1.74 1dt6A1 LEU 437 HG -0.04 0.05 0.03 -0.04 1.64 1.64 1dt6A1 LEU 437 HD13 -0.03 -0.00 -0.29 -0.04 0.93 0.56 1dt6A1 LEU 437 HD23 -0.07 0.03 -0.02 -0.04 0.89 0.79 1dt6A1 ALA 438 H -0.02 0.61 -0.52 -0.55 8.40 7.92 1dt6A1 ALA 438 HA 0.06 0.02 0.42 -0.75 4.34 4.10 1dt6A1 ALA 438 HB3 0.22 0.01 -0.11 -0.04 1.41 1.50 1dt6A1 ARG 439 H -0.06 0.79 0.02 -0.55 8.46 8.66 1dt6A1 ARG 439 HA 0.08 0.00 0.35 -0.75 4.34 4.02 1dt6A1 ARG 439 HB2 -0.10 0.26 0.19 -0.04 1.90 2.20 1dt6A1 ARG 439 HB3 -0.04 -0.08 -0.03 -0.04 1.80 1.61 1dt6A1 ARG 439 HG2 0.01 -0.03 -0.00 -0.04 1.67 1.61 1dt6A1 ARG 439 HG3 -0.19 -0.01 0.00 -0.04 1.67 1.44 1dt6A1 ARG 439 HD2 -0.33 -0.05 -0.11 -0.04 3.22 2.69 1dt6A1 ARG 439 HD3 -0.13 -0.01 -0.06 -0.04 3.22 2.97 1dt6A1 MET 440 H -0.03 0.28 -0.48 -0.55 8.47 7.69 1dt6A1 MET 440 HA 0.03 0.04 0.49 -0.75 4.52 4.32 1dt6A1 MET 440 HB2 -0.07 0.14 0.17 -0.04 2.15 2.35 1dt6A1 MET 440 HB3 -0.06 -0.07 -0.00 -0.04 2.03 1.85 1dt6A1 MET 440 HG2 -0.05 -0.05 -0.02 -0.04 2.63 2.47 1dt6A1 MET 440 HG3 -0.06 0.15 -0.06 -0.04 2.56 2.56 1dt6A1 MET 440 HE3 -0.07 -0.04 0.00 -0.04 2.10 1.96 1dt6A1 GLU 441 H -0.11 0.57 0.08 -0.55 8.60 8.60 1dt6A1 GLU 441 HA -0.69 -0.07 0.29 -0.75 4.29 3.06 1dt6A1 GLU 441 HB2 0.03 0.12 0.10 -0.04 2.09 2.30 1dt6A1 GLU 441 HB3 -0.08 -0.04 0.04 -0.04 1.99 1.87 1dt6A1 GLU 441 HG2 -0.18 -0.13 0.12 -0.04 2.34 2.11 1dt6A1 GLU 441 HG3 -0.04 0.45 0.21 -0.04 2.34 2.92 1dt6A1 LEU 442 H 0.05 0.49 -0.50 -0.55 8.37 7.86 1dt6A1 LEU 442 HA 0.14 -0.01 0.38 -0.75 4.35 4.11 1dt6A1 LEU 442 HB2 0.10 0.08 0.07 -0.04 1.64 1.84 1dt6A1 LEU 442 HB3 0.09 -0.04 -0.05 -0.04 1.64 1.60 1dt6A1 LEU 442 HG 0.12 0.20 -0.03 -0.04 1.64 1.89 1dt6A1 LEU 442 HD13 0.09 -0.01 -0.09 -0.04 0.93 0.89 1dt6A1 LEU 442 HD23 0.13 -0.02 -0.06 -0.04 0.89 0.89 1dt6A1 PHE 443 H 0.17 0.43 -0.03 -0.55 8.34 8.36 1dt6A1 PHE 443 HA 0.02 -0.01 0.38 -0.75 4.62 4.26 1dt6A1 PHE 443 HB2 -0.01 0.01 0.12 -0.04 3.15 3.22 1dt6A1 PHE 443 HB3 -0.03 0.06 0.21 -0.04 3.06 3.27 1dt6A1 PHE 443 HD2 -0.01 -0.02 -0.17 -0.04 7.28 7.04 1dt6A1 PHE 443 HE2 0.02 0.01 -0.19 -0.04 7.38 7.17 1dt6A1 PHE 443 HZ 0.02 0.00 -0.15 -0.04 7.32 7.15 1dt6A1 LEU 444 H 0.05 0.70 -0.15 -0.55 8.37 8.42 1dt6A1 LEU 444 HA -0.16 0.04 0.34 -0.75 4.35 3.81 1dt6A1 LEU 444 HB2 -0.19 -0.01 -0.15 -0.04 1.64 1.24 1dt6A1 LEU 444 HB3 -0.09 0.04 -0.19 -0.04 1.64 1.37 1dt6A1 LEU 444 HG 0.21 -0.03 -0.15 -0.04 1.64 1.62 1dt6A1 LEU 444 HD13 -0.03 -0.04 -0.12 -0.04 0.93 0.70 1dt6A1 LEU 444 HD23 0.11 -0.00 -0.36 -0.04 0.89 0.60 1dt6A1 PHE 445 H -0.20 0.51 -0.03 -0.55 8.34 8.06 1dt6A1 PHE 445 HA 0.02 -0.02 0.31 -0.75 4.62 4.17 1dt6A1 PHE 445 HB2 0.02 0.14 0.20 -0.04 3.15 3.48 1dt6A1 PHE 445 HB3 0.03 -0.04 -0.05 -0.04 3.06 2.96 1dt6A1 PHE 445 HD2 0.03 0.01 -0.05 -0.04 7.28 7.23 1dt6A1 PHE 445 HE2 0.03 -0.04 -0.15 -0.04 7.38 7.18 1dt6A1 PHE 445 HZ 0.03 0.01 -0.16 -0.04 7.32 7.15 1dt6A1 LEU 446 H 0.16 0.46 -0.02 -0.55 8.37 8.42 1dt6A1 LEU 446 HA 0.11 -0.03 0.33 -0.75 4.35 4.00 1dt6A1 LEU 446 HB2 0.01 0.33 0.19 -0.04 1.64 2.13 1dt6A1 LEU 446 HB3 0.02 -0.06 -0.08 -0.04 1.64 1.49 1dt6A1 LEU 446 HG 0.11 0.00 0.11 -0.04 1.64 1.83 1dt6A1 LEU 446 HD13 0.06 -0.02 -0.06 -0.04 0.93 0.87 1dt6A1 LEU 446 HD23 0.09 -0.02 -0.01 -0.04 0.89 0.91 1dt6A1 THR 447 H -0.17 0.44 -0.21 -0.55 8.28 7.80 1dt6A1 THR 447 HA -0.10 -0.03 0.34 -0.75 4.39 3.85 1dt6A1 THR 447 HB -0.67 0.80 0.27 -0.04 4.32 4.68 1dt6A1 THR 447 HG23 -0.25 -0.03 -0.15 -0.04 1.22 0.75 1dt6A1 SER 448 H -0.02 0.66 -0.15 -0.55 8.46 8.40 1dt6A1 SER 448 HA 0.01 0.03 0.52 -0.75 4.49 4.30 1dt6A1 SER 448 HB2 0.06 -0.05 0.04 -0.04 3.95 3.96 1dt6A1 SER 448 HB3 0.03 -0.08 0.10 -0.04 3.93 3.94 1dt6A1 ILE 449 H 0.12 0.57 -0.07 -0.55 8.25 8.32 1dt6A1 ILE 449 HA 0.33 0.02 0.43 -0.75 4.18 4.21 1dt6A1 ILE 449 HB 0.34 -0.05 -0.01 -0.04 1.89 2.13 1dt6A1 ILE 449 HG12 0.15 0.33 0.16 -0.04 1.49 2.09 1dt6A1 ILE 449 HG13 0.24 -0.00 -0.35 -0.04 1.21 1.06 1dt6A1 ILE 449 HG23 0.14 0.07 -0.08 -0.04 0.93 1.02 1dt6A1 ILE 449 HD13 0.19 -0.04 -0.09 -0.04 0.88 0.90 1dt6A1 LEU 450 H 0.10 0.55 -0.09 -0.55 8.37 8.39 1dt6A1 LEU 450 HA 0.14 0.16 0.44 -0.75 4.35 4.34 1dt6A1 LEU 450 HB2 0.05 0.09 0.05 -0.04 1.64 1.79 1dt6A1 LEU 450 HB3 0.06 -0.03 0.02 -0.04 1.64 1.65 1dt6A1 LEU 450 HG 0.09 -0.00 -0.04 -0.04 1.64 1.65 1dt6A1 LEU 450 HD13 0.06 -0.03 -0.07 -0.04 0.93 0.85 1dt6A1 LEU 450 HD23 0.08 0.01 -0.02 -0.04 0.89 0.91 1dt6A1 GLN 451 H 0.04 0.21 -0.48 -0.55 8.47 7.69 1dt6A1 GLN 451 HA -0.00 0.03 0.53 -0.75 4.36 4.16 1dt6A1 GLN 451 HB2 -0.01 0.04 0.06 -0.04 2.15 2.20 1dt6A1 GLN 451 HB3 -0.01 0.06 0.13 -0.04 2.02 2.16 1dt6A1 GLN 451 HG2 -0.04 0.00 -0.16 -0.04 2.40 2.17 1dt6A1 GLN 451 HG3 -0.01 0.01 -0.12 -0.04 2.39 2.24 1dt6A1 GLN 451 HE21 0.01 0.37 -0.32 -0.04 6.97 6.99 1dt6A1 GLN 451 HE22 -0.00 -0.08 -0.57 -0.04 7.69 7.00 1dt6A1 ASN 452 H -0.04 0.33 -0.14 -0.55 8.53 8.14 1dt6A1 ASN 452 HA -0.19 0.12 0.68 -0.75 4.76 4.62 1dt6A1 ASN 452 HB2 -0.42 0.09 0.14 -0.04 2.88 2.66 1dt6A1 ASN 452 HB3 -0.81 -0.09 0.11 -0.04 2.79 1.96 1dt6A1 ASN 452 HD21 -0.04 -0.09 0.00 -0.04 7.03 6.86 1dt6A1 ASN 452 HD22 -0.04 0.32 0.11 -0.04 7.74 8.09 1dt6A1 PHE 453 H 0.11 0.33 -0.11 -0.55 8.34 8.12 1dt6A1 PHE 453 HA 0.07 0.22 0.95 -0.75 4.62 5.11 1dt6A1 PHE 453 HB2 0.19 0.02 -0.14 -0.04 3.15 3.17 1dt6A1 PHE 453 HB3 0.17 -0.02 -0.22 -0.04 3.06 2.95 1dt6A1 PHE 453 HD2 0.14 0.03 -0.31 -0.04 7.28 7.10 1dt6A1 PHE 453 HE2 0.04 -0.06 -0.02 -0.04 7.38 7.29 1dt6A1 PHE 453 HZ 0.00 0.07 -0.05 -0.04 7.32 7.30 1dt6A1 LYS 454 H 0.23 0.78 0.23 -0.55 8.42 9.11 1dt6A1 LYS 454 HA 0.06 0.09 0.68 -0.75 4.32 4.39 1dt6A1 LYS 454 HB2 0.08 0.11 0.12 -0.04 1.87 2.13 1dt6A1 LYS 454 HB3 0.03 -0.06 -0.06 -0.04 1.79 1.66 1dt6A1 LYS 454 HG2 0.03 -0.01 -0.03 -0.04 1.46 1.41 1dt6A1 LYS 454 HG3 0.05 0.05 -0.15 -0.04 1.46 1.36 1dt6A1 LYS 454 HD2 0.03 0.05 -0.06 -0.04 1.69 1.67 1dt6A1 LYS 454 HD3 0.02 -0.05 -0.05 -0.04 1.68 1.56 1dt6A1 LYS 454 HE2 0.00 -0.05 -0.03 -0.04 2.99 2.87 1dt6A1 LYS 454 HE3 0.00 -0.01 -0.03 -0.04 2.99 2.91 1dt6A1 LEU 455 H 0.00 0.16 0.07 -0.55 8.37 8.06 1dt6A1 LEU 455 HA -0.19 0.24 0.94 -0.75 4.35 4.58 1dt6A1 LEU 455 HB2 -0.07 -0.02 0.06 -0.04 1.64 1.58 1dt6A1 LEU 455 HB3 -0.18 0.00 -0.11 -0.04 1.64 1.31 1dt6A1 LEU 455 HG 0.00 0.04 -0.16 -0.04 1.64 1.49 1dt6A1 LEU 455 HD13 -0.04 -0.02 -0.13 -0.04 0.93 0.71 1dt6A1 LEU 455 HD23 -0.23 0.01 -0.29 -0.04 0.89 0.34 1dt6A1 GLN 456 H -0.13 0.54 0.28 -0.55 8.47 8.61 1dt6A1 GLN 456 HA -0.05 0.15 1.10 -0.75 4.36 4.80 1dt6A1 GLN 456 HB2 -0.02 -0.03 0.06 -0.04 2.15 2.12 1dt6A1 GLN 456 HB3 -0.03 -0.02 -0.03 -0.04 2.02 1.90 1dt6A1 GLN 456 HG2 -0.03 -0.05 0.06 -0.04 2.40 2.34 1dt6A1 GLN 456 HG3 -0.04 0.23 -0.24 -0.04 2.39 2.30 1dt6A1 GLN 456 HE21 -0.01 -0.08 -0.01 -0.04 6.97 6.83 1dt6A1 GLN 456 HE22 -0.01 0.13 -0.01 -0.04 7.69 7.76 1dt6A1 SER 457 H -0.05 0.12 0.12 -0.55 8.46 8.11 1dt6A1 SER 457 HA -0.03 0.18 0.60 -0.75 4.49 4.48 1dt6A1 SER 457 HB2 -0.05 0.09 0.11 -0.04 3.95 4.06 1dt6A1 SER 457 HB3 -0.04 -0.01 0.05 -0.04 3.93 3.89 1dt6A1 LEU 458 H -0.01 0.16 0.20 -0.55 8.37 8.17 1dt6A1 LEU 458 HA -0.01 0.20 0.73 -0.75 4.35 4.51 1dt6A1 LEU 458 HB2 -0.01 0.00 0.02 -0.04 1.64 1.61 1dt6A1 LEU 458 HB3 -0.01 -0.00 0.14 -0.04 1.64 1.73 1dt6A1 LEU 458 HG -0.00 0.10 -0.16 -0.04 1.64 1.53 1dt6A1 LEU 458 HD13 -0.01 -0.02 -0.05 -0.04 0.93 0.81 1dt6A1 LEU 458 HD23 -0.01 0.04 -0.29 -0.04 0.89 0.59 1dt6A1 VAL 459 H -0.02 0.10 0.04 -0.55 8.24 7.81 1dt6A1 VAL 459 HA -0.01 0.08 0.69 -0.75 4.13 4.14 1dt6A1 VAL 459 HB -0.01 -0.02 -0.01 -0.04 2.12 2.03 1dt6A1 VAL 459 HG13 -0.01 0.06 -0.15 -0.04 0.97 0.83 1dt6A1 VAL 459 HG23 -0.01 -0.02 -0.26 -0.04 0.95 0.62 1dt6A1 GLU 460 H -0.02 0.11 0.07 -0.55 8.60 8.22 1dt6A1 GLU 460 HA -0.03 0.09 0.34 -0.75 4.29 3.94 1dt6A1 GLU 460 HB2 -0.02 -0.00 0.02 -0.04 2.09 2.04 1dt6A1 GLU 460 HB3 -0.02 -0.03 0.06 -0.04 1.99 1.97 1dt6A1 GLU 460 HG2 -0.01 -0.01 0.10 -0.04 2.34 2.37 1dt6A1 GLU 460 HG3 -0.01 0.02 0.04 -0.04 2.34 2.35 1dt6A1 PRO 461 HA -0.08 0.15 0.54 -0.51 4.44 4.53 1dt6A1 PRO 461 HB2 -0.08 -0.06 0.13 -0.04 2.28 2.23 1dt6A1 PRO 461 HB3 -0.12 0.32 0.25 -0.04 2.02 2.42 1dt6A1 PRO 461 HG2 -0.05 -0.01 0.14 -0.04 2.03 2.07 1dt6A1 PRO 461 HG3 -0.06 0.15 0.17 -0.04 2.03 2.26 1dt6A1 PRO 461 HD2 -0.03 0.03 0.24 -0.04 3.68 3.87 1dt6A1 PRO 461 HD3 -0.03 0.06 0.23 -0.04 3.65 3.87 1dt6A1 LYS 462 H -0.04 0.05 -0.22 -0.55 8.42 7.65 1dt6A1 LYS 462 HA -0.04 0.14 0.46 -0.75 4.32 4.13 1dt6A1 LYS 462 HB2 -0.02 -0.05 0.02 -0.04 1.87 1.78 1dt6A1 LYS 462 HB3 -0.01 0.01 0.14 -0.04 1.79 1.89 1dt6A1 LYS 462 HG2 -0.02 -0.03 0.05 -0.04 1.46 1.42 1dt6A1 LYS 462 HG3 -0.01 -0.02 0.05 -0.04 1.46 1.43 1dt6A1 LYS 462 HD2 -0.00 -0.01 0.06 -0.04 1.69 1.69 1dt6A1 LYS 462 HD3 -0.02 0.09 0.03 -0.04 1.68 1.73 1dt6A1 LYS 462 HE2 0.01 0.02 0.02 -0.04 2.99 3.00 1dt6A1 LYS 462 HE3 -0.01 0.01 0.02 -0.04 2.99 2.97 1dt6A1 ASP 463 H -0.04 0.45 -0.87 -0.55 8.40 7.39 1dt6A1 ASP 463 HA -0.02 0.18 0.91 -0.75 4.63 4.95 1dt6A1 ASP 463 HB2 -0.02 0.05 -0.09 -0.04 2.71 2.61 1dt6A1 ASP 463 HB3 -0.01 -0.05 0.12 -0.04 2.70 2.71 1dt6A1 LEU 464 H -0.05 0.41 0.04 -0.55 8.37 8.23 1dt6A1 LEU 464 HA -0.02 0.17 1.17 -0.75 4.35 4.92 1dt6A1 LEU 464 HB2 -0.04 0.04 0.02 -0.04 1.64 1.62 1dt6A1 LEU 464 HB3 -0.03 -0.02 -0.01 -0.04 1.64 1.53 1dt6A1 LEU 464 HG -0.07 0.07 0.01 -0.04 1.64 1.61 1dt6A1 LEU 464 HD13 -0.12 0.03 -0.02 -0.04 0.93 0.77 1dt6A1 LEU 464 HD23 -0.08 -0.03 -0.03 -0.04 0.89 0.71 1dt6A1 ASP 465 H -0.01 0.13 0.15 -0.55 8.40 8.11 1dt6A1 ASP 465 HA 0.01 0.03 0.54 -0.75 4.63 4.45 1dt6A1 ASP 465 HB2 0.00 0.01 0.13 -0.04 2.71 2.82 1dt6A1 ASP 465 HB3 -0.00 0.02 0.17 -0.04 2.70 2.85 1dt6A1 ILE 466 H 0.04 0.12 0.20 -0.55 8.25 8.06 1dt6A1 ILE 466 HA -0.00 0.22 0.82 -0.75 4.18 4.46 1dt6A1 ILE 466 HB 0.15 0.00 0.09 -0.04 1.89 2.09 1dt6A1 ILE 466 HG12 0.24 0.01 -0.22 -0.04 1.49 1.48 1dt6A1 ILE 466 HG13 0.13 -0.01 -0.02 -0.04 1.21 1.28 1dt6A1 ILE 466 HG23 -0.06 0.05 -0.18 -0.04 0.93 0.69 1dt6A1 ILE 466 HD13 0.07 -0.01 0.05 -0.04 0.88 0.95 1dt6A1 THR 467 H 0.06 -0.05 0.01 -0.55 8.28 7.75 1dt6A1 THR 467 HA 0.12 0.09 0.51 -0.75 4.39 4.37 1dt6A1 THR 467 HB 0.04 -0.04 0.06 -0.04 4.32 4.34 1dt6A1 THR 467 HG23 0.04 0.06 -0.07 -0.04 1.22 1.21 1dt6A1 ALA 468 H 0.11 0.10 0.16 -0.55 8.40 8.22 1dt6A1 ALA 468 HA 0.08 0.22 0.57 -0.75 4.34 4.46 1dt6A1 ALA 468 HB3 0.18 0.01 -0.04 -0.04 1.41 1.52 1dt6A1 VAL 469 H 0.04 0.66 0.34 -0.55 8.24 8.72 1dt6A1 VAL 469 HA 0.02 0.08 0.74 -0.75 4.13 4.21 1dt6A1 VAL 469 HB 0.01 -0.05 0.10 -0.04 2.12 2.14 1dt6A1 VAL 469 HG13 0.01 0.07 -0.06 -0.04 0.97 0.94 1dt6A1 VAL 469 HG23 0.01 -0.02 -0.10 -0.04 0.95 0.81 1dt6A1 VAL 470 H 0.00 0.16 0.13 -0.55 8.24 7.98 1dt6A1 VAL 470 HA 0.02 0.32 1.40 -0.75 4.13 5.12 1dt6A1 VAL 470 HB -0.01 -0.07 0.25 -0.04 2.12 2.26 1dt6A1 VAL 470 HG13 0.01 0.04 -0.19 -0.04 0.97 0.79 1dt6A1 VAL 470 HG23 0.00 -0.02 -0.08 -0.04 0.95 0.81 1dt6A1 ASN 471 H 0.02 0.17 0.00 -0.55 8.53 8.18 1dt6A1 ASN 471 HA -0.02 -0.05 0.33 -0.75 4.76 4.26 1dt6A1 ASN 471 HB2 0.03 0.09 0.14 -0.04 2.88 3.10 1dt6A1 ASN 471 HB3 0.01 -0.03 0.24 -0.04 2.79 2.97 1dt6A1 ASN 471 HD21 0.01 -0.03 0.03 -0.04 7.03 7.00 1dt6A1 ASN 471 HD22 0.03 -0.00 0.05 -0.04 7.74 7.78 1dt6A1 GLY 472 H -0.07 0.51 0.58 -0.55 8.43 8.91 1dt6A1 GLY 472 HA2 -0.20 -0.17 0.54 -0.51 4.01 3.66 1dt6A1 GLY 472 HA3 -0.28 -0.01 0.72 -0.51 4.01 3.93 1dt6A1 PHE 473 H -0.27 0.17 -0.01 -0.55 8.34 7.68 1dt6A1 PHE 473 HA -0.01 0.06 0.57 -0.75 4.62 4.50 1dt6A1 PHE 473 HB2 0.01 -0.26 0.19 -0.04 3.15 3.05 1dt6A1 PHE 473 HB3 0.00 0.07 0.05 -0.04 3.06 3.14 1dt6A1 PHE 473 HD2 0.02 0.01 -0.02 -0.04 7.28 7.25 1dt6A1 PHE 473 HE2 0.04 -0.04 -0.05 -0.04 7.38 7.30 1dt6A1 PHE 473 HZ 0.01 0.00 -0.02 -0.04 7.32 7.27 1dt6A1 VAL 474 H 0.26 -0.01 0.02 -0.55 8.24 7.96 1dt6A1 VAL 474 HA 0.08 0.48 0.44 -0.75 4.13 4.38 1dt6A1 VAL 474 HB 0.09 -0.03 -0.04 -0.04 2.12 2.10 1dt6A1 VAL 474 HG13 0.07 0.01 -0.20 -0.04 0.97 0.81 1dt6A1 VAL 474 HG23 0.13 -0.04 0.03 -0.04 0.95 1.04 1dt6A1 SER 475 H 0.06 0.42 0.29 -0.55 8.46 8.68 1dt6A1 SER 475 HA 0.06 0.05 0.76 -0.75 4.49 4.61 1dt6A1 SER 475 HB2 0.06 0.04 0.15 -0.04 3.95 4.17 1dt6A1 SER 475 HB3 0.12 -0.05 -0.03 -0.04 3.93 3.93 1dt6A1 VAL 476 H 0.06 0.47 0.37 -0.55 8.24 8.59 1dt6A1 VAL 476 HA 0.07 0.18 0.91 -0.75 4.13 4.53 1dt6A1 VAL 476 HB 0.01 0.10 0.04 -0.04 2.12 2.23 1dt6A1 VAL 476 HG13 0.05 -0.01 -0.10 -0.04 0.97 0.86 1dt6A1 VAL 476 HG23 0.02 -0.05 0.09 -0.04 0.95 0.98 1dt6A1 PRO 477 HA -0.31 0.11 0.39 -0.51 4.44 4.11 1dt6A1 PRO 477 HB2 -0.54 0.06 -0.00 -0.04 2.28 1.76 1dt6A1 PRO 477 HB3 -2.21 0.00 0.06 -0.04 2.02 -0.17 1dt6A1 PRO 477 HG2 -0.14 0.05 -0.02 -0.04 2.03 1.88 1dt6A1 PRO 477 HG3 -0.28 -0.03 -0.09 -0.04 2.03 1.59 1dt6A1 PRO 477 HD2 -0.04 -0.02 0.24 -0.04 3.68 3.82 1dt6A1 PRO 477 HD3 -0.03 0.23 0.21 -0.04 3.65 4.02 1dt6A1 PRO 478 HA -0.02 0.02 0.37 -0.51 4.44 4.30 1dt6A1 PRO 478 HB2 -0.01 0.10 -0.02 -0.04 2.28 2.31 1dt6A1 PRO 478 HB3 -0.00 -0.09 0.14 -0.04 2.02 2.02 1dt6A1 PRO 478 HG2 -0.02 -0.05 -0.39 -0.04 2.03 1.52 1dt6A1 PRO 478 HG3 -0.01 0.23 0.01 -0.04 2.03 2.22 1dt6A1 PRO 478 HD2 -0.19 0.09 0.04 -0.04 3.68 3.58 1dt6A1 PRO 478 HD3 -0.12 0.18 -0.15 -0.04 3.65 3.51 1dt6A1 SER 479 H 0.02 0.13 0.16 -0.55 8.46 8.22 1dt6A1 SER 479 HA 0.02 0.19 0.91 -0.75 4.49 4.85 1dt6A1 SER 479 HB2 -0.00 0.00 0.02 -0.04 3.95 3.93 1dt6A1 SER 479 HB3 0.00 -0.04 0.09 -0.04 3.93 3.94 1dt6A1 TYR 480 H -0.11 0.24 0.18 -0.55 8.29 8.05 1dt6A1 TYR 480 HA -0.04 0.13 0.78 -0.75 4.56 4.68 1dt6A1 TYR 480 HB2 -0.05 0.02 0.07 -0.04 3.06 3.06 1dt6A1 TYR 480 HB3 -0.06 0.08 -0.27 -0.04 2.98 2.69 1dt6A1 TYR 480 HD2 -0.08 0.08 -0.26 -0.04 7.15 6.85 1dt6A1 TYR 480 HE2 -0.07 0.04 -0.14 -0.04 6.85 6.63 1dt6A1 GLN 481 H 0.06 0.20 0.21 -0.55 8.47 8.40 1dt6A1 GLN 481 HA -0.15 0.38 1.01 -0.75 4.36 4.84 1dt6A1 GLN 481 HB2 -0.01 -0.04 0.05 -0.04 2.15 2.10 1dt6A1 GLN 481 HB3 -0.03 -0.06 0.03 -0.04 2.02 1.92 1dt6A1 GLN 481 HG2 -0.08 0.06 -0.21 -0.04 2.40 2.13 1dt6A1 GLN 481 HG3 -0.04 -0.03 -0.19 -0.04 2.39 2.09 1dt6A1 GLN 481 HE21 -0.02 0.01 -0.07 -0.04 6.97 6.84 1dt6A1 GLN 481 HE22 -0.02 -0.00 -0.07 -0.04 7.69 7.55 1dt6A1 LEU 482 H -0.04 0.61 0.46 -0.55 8.37 8.85 1dt6A1 LEU 482 HA -0.03 0.12 0.56 -0.75 4.35 4.24 1dt6A1 LEU 482 HB2 -0.11 0.10 0.03 -0.04 1.64 1.62 1dt6A1 LEU 482 HB3 0.08 -0.03 -0.44 -0.04 1.64 1.21 1dt6A1 LEU 482 HG -0.68 0.06 -0.50 -0.04 1.64 0.48 1dt6A1 LEU 482 HD13 -0.25 -0.02 -0.22 -0.04 0.93 0.40 1dt6A1 LEU 482 HD23 0.03 -0.01 -0.18 -0.04 0.89 0.69 1dt6A1 CYS 483 H -0.12 0.64 0.28 -0.55 8.50 8.75 1dt6A1 CYS 483 HA 0.02 0.35 0.70 -0.75 4.58 4.90 1dt6A1 CYS 483 HB2 -0.03 -0.06 0.03 -0.04 2.97 2.87 1dt6A1 CYS 483 HB3 0.01 0.13 -0.30 -0.04 2.97 2.77 1dt6A1 PHE 484 H 0.18 0.21 0.02 -0.55 8.34 8.20 1dt6A1 PHE 484 HA -0.11 0.19 0.83 -0.75 4.62 4.78 1dt6A1 PHE 484 HB2 -0.40 0.04 0.18 -0.04 3.15 2.92 1dt6A1 PHE 484 HB3 -1.15 0.04 -0.01 -0.04 3.06 1.91 1dt6A1 PHE 484 HD2 -0.34 0.06 -0.13 -0.04 7.28 6.83 1dt6A1 PHE 484 HE2 -0.09 -0.03 -0.16 -0.04 7.38 7.06 1dt6A1 PHE 484 HZ -0.05 -0.06 -0.13 -0.04 7.32 7.05 1dt6A1 ILE 485 H 0.05 0.39 0.08 -0.55 8.25 8.22 1dt6A1 ILE 485 HA 0.15 0.10 0.58 -0.75 4.18 4.25 1dt6A1 ILE 485 HB 0.07 -0.02 0.14 -0.04 1.89 2.04 1dt6A1 ILE 485 HG12 0.04 0.04 -0.02 -0.04 1.49 1.52 1dt6A1 ILE 485 HG13 0.03 -0.08 -0.16 -0.04 1.21 0.96 1dt6A1 ILE 485 HG23 0.06 0.03 -0.08 -0.04 0.93 0.90 1dt6A1 ILE 485 HD13 0.01 -0.02 -0.04 -0.04 0.88 0.78 1dt6A1 PRO 486 HA 0.11 0.26 0.59 -0.51 4.44 4.88 1dt6A1 PRO 486 HB2 0.07 -0.07 0.06 -0.04 2.28 2.29 1dt6A1 PRO 486 HB3 0.03 0.04 0.11 -0.04 2.02 2.15 1dt6A1 PRO 486 HG2 0.14 -0.04 0.12 -0.04 2.03 2.20 1dt6A1 PRO 486 HG3 0.38 0.09 0.14 -0.04 2.03 2.59 1dt6A1 PRO 486 HD2 0.13 0.01 0.25 -0.04 3.68 4.03 1dt6A1 PRO 486 HD3 0.24 0.47 0.51 -0.04 3.65 4.83 1dt6A1 ILE 487 H -0.03 0.46 0.27 -0.55 8.25 8.40 1dt6A1 ILE 487 HA 0.04 0.11 0.86 -0.75 4.18 4.43 1dt6A1 ILE 487 HB -0.02 0.09 -0.03 -0.04 1.89 1.89 1dt6A1 ILE 487 HG12 0.04 -0.04 -0.26 -0.04 1.49 1.19 1dt6A1 ILE 487 HG13 0.04 0.06 -0.32 -0.04 1.21 0.95 1dt6A1 ILE 487 HG23 -0.03 -0.03 -0.06 -0.04 0.93 0.76 1dt6A1 ILE 487 HD13 0.02 0.06 -0.45 -0.04 0.88 0.47 1dt6A1 HIS 488 H 0.05 0.23 0.06 -0.55 8.41 8.21 1dt6A1 HIS 488 HA -0.03 0.07 0.45 -0.75 4.63 4.37 1dt6A1 HIS 488 HB2 -0.01 0.05 -0.51 -0.04 3.26 2.75 1dt6A1 HIS 488 HB3 0.01 -0.08 -0.09 -0.04 3.20 3.00 1dt6A1 HIS 488 HD2 0.00 -0.06 -0.04 -0.04 6.97 6.82 1dt6A1 HIS 488 HE1 -0.06 0.01 0.05 -0.04 7.75 7.71 1dt6A1 HIS 489 H -0.10 0.21 0.03 -0.55 8.41 8.01 1dt6A1 HIS 489 HA -0.01 0.17 0.46 -0.75 4.63 4.50 1dt6A1 HIS 489 HB2 -0.08 0.03 0.07 -0.04 3.26 3.24 1dt6A1 HIS 489 HB3 -0.05 -0.00 0.08 -0.04 3.20 3.18 1dt6A1 HIS 489 HD2 -0.02 0.02 0.00 -0.04 6.97 6.92 1dt6A1 HIS 489 HE1 0.00 -0.01 0.01 -0.04 7.75 7.70