============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 7 1.000 0.275 39.538 33.165 -99.200 -91.000 PHE 14 1.000 7.796 34.111 26.572 -99.200 -91.000 TRP 26 1.040 3.014 33.925 35.062 -99.200 -91.000 TRP6 26 1.020 5.070 34.114 36.223 -99.200 -91.000 TRP 43 1.040 1.459 43.466 38.913 -99.200 -91.000 TRP6 43 1.020 2.054 43.023 36.678 -99.200 -91.000 TYR 46 0.840 6.530 50.165 40.939 -99.200 -91.000 TYR 47 0.840 4.277 45.878 32.476 -99.200 -91.000 TYR 49 0.840 11.989 51.666 39.698 -99.200 -91.000 TYR 59 0.840 19.948 56.497 34.160 -99.200 -91.000 PHE 64 1.000 13.835 41.784 34.419 -99.200 -91.000 HIS 75 0.900 29.770 40.276 33.524 -99.200 -91.000 PHE 82 1.000 16.632 50.133 26.950 -99.200 -91.000 TYR 85 0.840 10.533 48.974 22.532 -99.200 -91.000 PHE 123 1.000 17.414 55.718 30.201 -99.200 -91.000 TRP 136 1.040 8.898 48.848 28.484 -99.200 -91.000 TRP6 136 1.020 11.234 48.987 28.091 -99.200 -91.000 TRP 141 1.040 5.539 40.251 31.871 -99.200 -91.000 TRP6 141 1.020 5.658 38.949 33.836 -99.200 -91.000 PHE 144 1.000 10.341 38.587 36.214 -99.200 -91.000 TYR 145 0.840 10.908 31.674 29.805 -99.200 -91.000 TYR 148 0.840 16.449 37.368 38.063 -99.200 -91.000 TYR 151 0.840 18.360 27.799 37.744 -99.200 -91.000 PHE 161 1.000 8.029 19.336 44.072 -99.200 -91.000 PHE 170 1.000 11.452 26.298 43.464 -99.200 -91.000 PHE 202 1.000 11.999 20.983 47.392 -99.200 -91.000 PHE 206 1.000 13.136 27.474 48.145 -99.200 -91.000 HIS 207 0.900 8.207 28.777 51.129 -99.200 -91.000 TYR 219 0.840 21.285 37.808 49.598 -99.200 -91.000 TRP 232 1.040 6.588 33.950 48.120 -99.200 -91.000 TRP6 232 1.020 5.434 33.864 46.057 -99.200 -91.000 TRP 256 1.040 4.386 41.777 54.531 -99.200 -91.000 TRP6 256 1.020 6.535 42.639 54.057 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2d05A1 ALA 1 HA 0.04 -0.01 0.19 -0.75 4.34 3.80 2d05A1 ALA 1 HB3 0.03 -0.01 0.02 -0.04 1.41 1.41 2d05A1 SER 2 H 0.04 0.14 0.07 -0.55 8.46 8.16 2d05A1 SER 2 HA 0.06 0.05 0.27 -0.75 4.49 4.12 2d05A1 SER 2 HB2 0.08 -0.01 0.18 -0.04 3.95 4.16 2d05A1 SER 2 HB3 0.05 0.08 -0.01 -0.04 3.93 4.01 2d05A1 PRO 3 HA 0.18 0.18 0.67 -0.51 4.44 4.95 2d05A1 PRO 3 HB2 0.27 -0.09 -0.24 -0.04 2.28 2.17 2d05A1 PRO 3 HB3 0.35 0.10 0.06 -0.04 2.02 2.48 2d05A1 PRO 3 HG2 0.15 -0.03 0.07 -0.04 2.03 2.18 2d05A1 PRO 3 HG3 0.16 0.10 0.03 -0.04 2.03 2.28 2d05A1 PRO 3 HD2 0.11 0.04 0.17 -0.04 3.68 3.96 2d05A1 PRO 3 HD3 0.09 0.12 0.12 -0.04 3.65 3.93 2d05A1 ASP 4 H 0.15 0.09 -0.19 -0.55 8.40 7.90 2d05A1 ASP 4 HA 0.28 -0.05 0.31 -0.75 4.63 4.42 2d05A1 ASP 4 HB2 0.09 0.25 0.02 -0.04 2.71 3.03 2d05A1 ASP 4 HB3 0.10 0.00 -0.03 -0.04 2.70 2.72 2d05A1 ASP 5 H 0.11 0.55 -0.31 -0.55 8.40 8.21 2d05A1 ASP 5 HA 0.09 0.01 0.28 -0.75 4.63 4.26 2d05A1 ASP 5 HB2 0.04 0.10 -0.11 -0.04 2.71 2.71 2d05A1 ASP 5 HB3 0.03 -0.01 -0.00 -0.04 2.70 2.67 2d05A1 ASN 6 H 0.14 0.45 -0.56 -0.55 8.53 8.02 2d05A1 ASN 6 HA -0.14 0.09 0.60 -0.75 4.76 4.55 2d05A1 ASN 6 HB2 -0.06 0.18 0.08 -0.04 2.88 3.05 2d05A1 ASN 6 HB3 -0.70 -0.08 0.10 -0.04 2.79 2.07 2d05A1 ASN 6 HD21 -0.03 -0.04 0.02 -0.04 7.03 6.95 2d05A1 ASN 6 HD22 0.17 -0.03 0.06 -0.04 7.74 7.91 2d05A1 PHE 7 H 0.30 0.36 -0.39 -0.55 8.34 8.06 2d05A1 PHE 7 HA 0.33 0.16 0.70 -0.75 4.62 5.06 2d05A1 PHE 7 HB2 0.04 0.08 0.14 -0.04 3.15 3.37 2d05A1 PHE 7 HB3 -0.05 -0.14 0.12 -0.04 3.06 2.94 2d05A1 PHE 7 HD2 -0.29 0.06 -0.07 -0.04 7.28 6.94 2d05A1 PHE 7 HE2 -0.28 0.01 -0.12 -0.04 7.38 6.95 2d05A1 PHE 7 HZ 0.29 -0.07 -0.35 -0.04 7.32 7.15 2d05A1 SER 8 H 0.23 0.20 0.21 -0.55 8.46 8.55 2d05A1 SER 8 HA 0.09 0.25 0.48 -0.75 4.49 4.55 2d05A1 SER 8 HB2 0.06 0.04 0.18 -0.04 3.95 4.20 2d05A1 SER 8 HB3 0.09 0.15 -0.11 -0.04 3.93 4.02 2d05A1 PRO 9 HA 0.03 0.09 0.49 -0.51 4.44 4.53 2d05A1 PRO 9 HB2 0.03 -0.00 0.15 -0.04 2.28 2.41 2d05A1 PRO 9 HB3 0.02 0.08 0.10 -0.04 2.02 2.18 2d05A1 PRO 9 HG2 0.03 0.10 0.09 -0.04 2.03 2.21 2d05A1 PRO 9 HG3 0.04 0.07 0.06 -0.04 2.03 2.16 2d05A1 PRO 9 HD2 0.04 0.10 0.22 -0.04 3.68 4.00 2d05A1 PRO 9 HD3 0.06 0.23 0.19 -0.04 3.65 4.09 2d05A1 GLU 10 H 0.03 0.17 -0.06 -0.55 8.60 8.19 2d05A1 GLU 10 HA 0.02 0.12 0.37 -0.75 4.29 4.05 2d05A1 GLU 10 HB2 0.02 -0.02 0.05 -0.04 2.09 2.10 2d05A1 GLU 10 HB3 0.01 0.07 0.01 -0.04 1.99 2.03 2d05A1 GLU 10 HG2 0.01 0.09 0.02 -0.04 2.34 2.42 2d05A1 GLU 10 HG3 0.01 0.04 0.02 -0.04 2.34 2.37 2d05A1 THR 11 H 0.04 0.06 -0.31 -0.55 8.28 7.52 2d05A1 THR 11 HA 0.03 0.10 0.41 -0.75 4.39 4.17 2d05A1 THR 11 HB 0.08 -0.09 0.10 -0.04 4.32 4.38 2d05A1 THR 11 HG23 -0.08 0.03 -0.09 -0.04 1.22 1.04 2d05A1 LEU 12 H -0.03 0.55 -0.08 -0.55 8.37 8.26 2d05A1 LEU 12 HA -0.29 0.02 0.48 -0.75 4.35 3.80 2d05A1 LEU 12 HB2 -0.05 0.17 0.16 -0.04 1.64 1.88 2d05A1 LEU 12 HB3 -0.10 -0.07 0.02 -0.04 1.64 1.45 2d05A1 LEU 12 HG -0.07 0.05 0.09 -0.04 1.64 1.67 2d05A1 LEU 12 HD13 0.02 -0.01 0.02 -0.04 0.93 0.92 2d05A1 LEU 12 HD23 -0.60 -0.02 -0.00 -0.04 0.89 0.22 2d05A1 GLN 13 H -0.01 0.39 -0.21 -0.55 8.47 8.10 2d05A1 GLN 13 HA -0.03 0.01 0.40 -0.75 4.36 3.98 2d05A1 GLN 13 HB2 0.02 0.15 0.16 -0.04 2.15 2.44 2d05A1 GLN 13 HB3 0.00 -0.01 0.01 -0.04 2.02 1.98 2d05A1 GLN 13 HG2 -0.00 0.18 0.08 -0.04 2.40 2.62 2d05A1 GLN 13 HG3 0.01 -0.02 0.01 -0.04 2.39 2.34 2d05A1 GLN 13 HE21 -0.01 -0.01 0.00 -0.04 6.97 6.92 2d05A1 GLN 13 HE22 -0.00 0.02 0.01 -0.04 7.69 7.67 2d05A1 PHE 14 H 0.10 0.46 -0.19 -0.55 8.34 8.15 2d05A1 PHE 14 HA -0.12 0.03 0.43 -0.75 4.62 4.21 2d05A1 PHE 14 HB2 -0.09 0.01 0.10 -0.04 3.15 3.13 2d05A1 PHE 14 HB3 -0.13 0.09 0.21 -0.04 3.06 3.19 2d05A1 PHE 14 HD2 -0.15 0.00 -0.08 -0.04 7.28 7.01 2d05A1 PHE 14 HE2 -0.20 0.03 -0.08 -0.04 7.38 7.09 2d05A1 PHE 14 HZ -0.50 0.02 -0.01 -0.04 7.32 6.79 2d05A1 LEU 15 H -0.11 0.62 -0.02 -0.55 8.37 8.31 2d05A1 LEU 15 HA -0.40 0.03 0.37 -0.75 4.35 3.59 2d05A1 LEU 15 HB2 -0.37 0.02 0.12 -0.04 1.64 1.37 2d05A1 LEU 15 HB3 -0.45 -0.02 -0.02 -0.04 1.64 1.10 2d05A1 LEU 15 HG -0.31 0.11 0.04 -0.04 1.64 1.45 2d05A1 LEU 15 HD13 -1.53 -0.03 -0.09 -0.04 0.93 -0.76 2d05A1 LEU 15 HD23 -0.67 -0.00 -0.05 -0.04 0.89 0.12 2d05A1 ARG 16 H -0.12 0.57 -0.17 -0.55 8.46 8.18 2d05A1 ARG 16 HA -0.02 0.03 0.36 -0.75 4.34 3.95 2d05A1 ARG 16 HB2 -0.07 0.19 0.17 -0.04 1.90 2.15 2d05A1 ARG 16 HB3 -0.06 0.05 0.11 -0.04 1.80 1.86 2d05A1 ARG 16 HG2 -0.03 -0.03 -0.19 -0.04 1.67 1.38 2d05A1 ARG 16 HG3 -0.03 -0.08 -0.05 -0.04 1.67 1.46 2d05A1 ARG 16 HD2 -0.03 -0.01 -0.11 -0.04 3.22 3.03 2d05A1 ARG 16 HD3 -0.03 -0.04 -0.08 -0.04 3.22 3.02 2d05A1 ASN 17 H -0.13 0.57 -0.11 -0.55 8.53 8.32 2d05A1 ASN 17 HA -0.07 0.02 0.32 -0.75 4.76 4.28 2d05A1 ASN 17 HB2 -0.07 -0.01 0.13 -0.04 2.88 2.89 2d05A1 ASN 17 HB3 -0.15 0.06 0.13 -0.04 2.79 2.78 2d05A1 ASN 17 HD21 -0.05 -0.03 -0.04 -0.04 7.03 6.87 2d05A1 ASN 17 HD22 -0.09 0.01 -0.07 -0.04 7.74 7.55 2d05A1 ASN 18 H -0.31 0.41 -0.22 -0.55 8.53 7.86 2d05A1 ASN 18 HA -0.12 0.21 0.84 -0.75 4.76 4.93 2d05A1 ASN 18 HB2 -0.85 0.06 0.02 -0.04 2.88 2.07 2d05A1 ASN 18 HB3 -0.29 -0.05 0.05 -0.04 2.79 2.45 2d05A1 ASN 18 HD21 -0.47 -0.07 -0.02 -0.04 7.03 6.43 2d05A1 ASN 18 HD22 -1.64 0.14 0.02 -0.04 7.74 6.22 2d05A1 THR 19 H -0.05 0.41 0.05 -0.55 8.28 8.13 2d05A1 THR 19 HA 0.09 0.23 1.00 -0.75 4.39 4.96 2d05A1 THR 19 HB 0.32 -0.05 0.08 -0.04 4.32 4.62 2d05A1 THR 19 HG23 0.24 0.00 -0.14 -0.04 1.22 1.28 2d05A1 GLY 20 H -0.00 0.33 0.13 -0.55 8.43 8.34 2d05A1 GLY 20 HA2 -0.02 0.14 0.37 -0.51 4.01 3.99 2d05A1 GLY 20 HA3 -0.02 0.08 0.47 -0.51 4.01 4.03 2d05A1 LEU 21 H 0.09 0.13 -0.27 -0.55 8.37 7.77 2d05A1 LEU 21 HA -0.07 0.13 0.81 -0.75 4.35 4.47 2d05A1 LEU 21 HB2 -0.12 -0.00 -0.10 -0.04 1.64 1.38 2d05A1 LEU 21 HB3 -0.37 -0.11 -0.05 -0.04 1.64 1.07 2d05A1 LEU 21 HG -0.11 0.22 -0.28 -0.04 1.64 1.43 2d05A1 LEU 21 HD13 -0.72 -0.01 -0.11 -0.04 0.93 0.05 2d05A1 LEU 21 HD23 -0.16 0.03 -0.14 -0.04 0.89 0.59 2d05A1 ASP 22 H -0.05 0.07 0.13 -0.55 8.40 8.01 2d05A1 ASP 22 HA -0.01 0.31 0.66 -0.75 4.63 4.83 2d05A1 ASP 22 HB2 -0.02 -0.09 0.20 -0.04 2.71 2.76 2d05A1 ASP 22 HB3 -0.02 0.16 0.05 -0.04 2.70 2.85 2d05A1 GLY 23 H -0.04 0.20 0.15 -0.55 8.43 8.18 2d05A1 GLY 23 HA2 -0.32 0.16 0.36 -0.51 4.01 3.70 2d05A1 GLY 23 HA3 -0.02 0.07 0.25 -0.51 4.01 3.80 2d05A1 GLU 24 H 0.06 0.10 -0.06 -0.55 8.60 8.14 2d05A1 GLU 24 HA 0.16 0.09 0.50 -0.75 4.29 4.29 2d05A1 GLU 24 HB2 0.07 0.01 0.14 -0.04 2.09 2.26 2d05A1 GLU 24 HB3 0.04 -0.01 0.11 -0.04 1.99 2.08 2d05A1 GLU 24 HG2 0.04 0.21 -0.14 -0.04 2.34 2.42 2d05A1 GLU 24 HG3 0.08 -0.00 0.08 -0.04 2.34 2.46 2d05A1 GLN 25 H 0.00 0.01 -0.24 -0.55 8.47 7.69 2d05A1 GLN 25 HA -0.04 0.23 0.51 -0.75 4.36 4.31 2d05A1 GLN 25 HB2 -0.17 -0.02 0.09 -0.04 2.15 2.01 2d05A1 GLN 25 HB3 -0.25 0.04 0.01 -0.04 2.02 1.79 2d05A1 GLN 25 HG2 -0.07 0.31 0.05 -0.04 2.40 2.65 2d05A1 GLN 25 HG3 -0.04 -0.18 0.04 -0.04 2.39 2.17 2d05A1 GLN 25 HE21 -0.07 0.03 0.10 -0.04 6.97 6.99 2d05A1 GLN 25 HE22 -0.07 0.44 0.16 -0.04 7.69 8.19 2d05A1 TRP 26 H 0.09 0.52 -0.16 -0.55 7.97 7.88 2d05A1 TRP 26 HA 0.04 0.06 0.42 -0.75 4.62 4.39 2d05A1 TRP 26 HB2 -0.34 0.06 0.03 -0.04 3.23 2.94 2d05A1 TRP 26 HB3 -0.06 0.01 -0.07 -0.04 3.23 3.06 2d05A1 TRP 26 HD1 -0.27 0.12 -0.27 -0.04 7.22 6.75 2d05A1 TRP 26 HE1 -0.13 0.03 -0.10 -0.04 10.20 9.95 2d05A1 TRP 26 HE3 0.20 -0.05 0.01 -0.04 7.59 7.72 2d05A1 TRP 26 HZ2 -0.01 0.05 -0.07 -0.04 7.44 7.37 2d05A1 TRP 26 HZ3 0.09 0.03 -0.08 -0.04 7.13 7.12 2d05A1 TRP 26 HH2 -0.03 0.02 -0.09 -0.04 7.19 7.05 2d05A1 ASN 27 H 0.39 0.41 -0.30 -0.55 8.53 8.48 2d05A1 ASN 27 HA 0.55 0.07 0.42 -0.75 4.76 5.05 2d05A1 ASN 27 HB2 0.59 0.10 0.14 -0.04 2.88 3.66 2d05A1 ASN 27 HB3 0.32 0.05 0.14 -0.04 2.79 3.26 2d05A1 ASN 27 HD21 0.27 0.01 -0.03 -0.04 7.03 7.23 2d05A1 ASN 27 HD22 0.24 -0.03 -0.05 -0.04 7.74 7.86 2d05A1 ASN 28 H 0.15 0.50 -0.16 -0.55 8.53 8.47 2d05A1 ASN 28 HA 0.09 0.02 0.48 -0.75 4.76 4.60 2d05A1 ASN 28 HB2 0.02 0.17 0.20 -0.04 2.88 3.23 2d05A1 ASN 28 HB3 -0.00 -0.04 -0.00 -0.04 2.79 2.70 2d05A1 ASN 28 HD21 0.04 -0.29 -0.10 -0.04 7.03 6.63 2d05A1 ASN 28 HD22 0.01 0.38 -0.02 -0.04 7.74 8.07 2d05A1 ILE 29 H 0.06 0.49 -0.16 -0.55 8.25 8.10 2d05A1 ILE 29 HA 0.22 0.02 0.37 -0.75 4.18 4.04 2d05A1 ILE 29 HB 0.06 0.07 0.17 -0.04 1.89 2.15 2d05A1 ILE 29 HG12 0.15 -0.04 0.03 -0.04 1.49 1.58 2d05A1 ILE 29 HG13 -0.08 0.05 0.03 -0.04 1.21 1.17 2d05A1 ILE 29 HG23 0.25 -0.00 -0.12 -0.04 0.93 1.01 2d05A1 ILE 29 HD13 -0.86 -0.02 -0.09 -0.04 0.88 -0.12 2d05A1 MET 30 H 0.06 0.51 -0.24 -0.55 8.47 8.26 2d05A1 MET 30 HA -0.01 0.03 0.33 -0.75 4.52 4.11 2d05A1 MET 30 HB2 -1.08 0.10 0.14 -0.04 2.15 1.27 2d05A1 MET 30 HB3 -1.60 -0.06 -0.01 -0.04 2.03 0.32 2d05A1 MET 30 HG2 0.22 0.08 0.02 -0.04 2.63 2.91 2d05A1 MET 30 HG3 -1.02 -0.03 -0.03 -0.04 2.56 1.43 2d05A1 MET 30 HE3 -0.17 0.01 -0.01 -0.04 2.10 1.89 2d05A1 LYS 31 H 0.01 0.39 -0.27 -0.55 8.42 8.00 2d05A1 LYS 31 HA 0.15 0.06 0.61 -0.75 4.32 4.39 2d05A1 LYS 31 HB2 0.06 0.11 0.22 -0.04 1.87 2.22 2d05A1 LYS 31 HB3 0.06 -0.04 0.03 -0.04 1.79 1.80 2d05A1 LYS 31 HG2 0.29 0.09 0.14 -0.04 1.46 1.93 2d05A1 LYS 31 HG3 0.33 0.18 0.13 -0.04 1.46 2.06 2d05A1 LYS 31 HD2 0.13 -0.06 -0.01 -0.04 1.69 1.71 2d05A1 LYS 31 HD3 0.10 -0.02 -0.01 -0.04 1.68 1.71 2d05A1 LYS 31 HE2 0.19 0.02 -0.01 -0.04 2.99 3.15 2d05A1 LYS 31 HE3 0.28 -0.01 -0.06 -0.04 2.99 3.15 2d05A1 LEU 32 H -0.02 0.49 -0.09 -0.55 8.37 8.21 2d05A1 LEU 32 HA -0.09 0.03 0.36 -0.75 4.35 3.90 2d05A1 LEU 32 HB2 -0.23 0.10 0.13 -0.04 1.64 1.61 2d05A1 LEU 32 HB3 -0.72 -0.01 0.00 -0.04 1.64 0.88 2d05A1 LEU 32 HG -0.23 0.06 0.04 -0.04 1.64 1.47 2d05A1 LEU 32 HD13 -0.85 -0.04 -0.11 -0.04 0.93 -0.10 2d05A1 LEU 32 HD23 -0.35 -0.01 -0.07 -0.04 0.89 0.42 2d05A1 ILE 33 H 0.15 0.37 -0.22 -0.55 8.25 8.00 2d05A1 ILE 33 HA 0.26 0.09 0.50 -0.75 4.18 4.28 2d05A1 ILE 33 HB 0.16 -0.01 0.10 -0.04 1.89 2.10 2d05A1 ILE 33 HG12 0.39 -0.01 -0.03 -0.04 1.49 1.80 2d05A1 ILE 33 HG13 0.47 0.16 0.01 -0.04 1.21 1.81 2d05A1 ILE 33 HG23 0.13 -0.00 -0.11 -0.04 0.93 0.90 2d05A1 ILE 33 HD13 0.31 -0.02 -0.12 -0.04 0.88 1.01 2d05A1 ASN 34 H 0.03 0.59 -0.07 -0.55 8.53 8.53 2d05A1 ASN 34 HA -0.07 0.03 0.39 -0.75 4.76 4.35 2d05A1 ASN 34 HB2 0.05 0.19 0.21 -0.04 2.88 3.29 2d05A1 ASN 34 HB3 0.04 0.14 0.08 -0.04 2.79 3.00 2d05A1 ASN 34 HD21 -0.83 -0.07 -0.09 -0.04 7.03 6.01 2d05A1 ASN 34 HD22 -0.05 0.43 -0.10 -0.04 7.74 7.98 2d05A1 LYS 35 H 0.00 0.42 -0.39 -0.55 8.42 7.90 2d05A1 LYS 35 HA -0.14 -0.15 0.34 -0.75 4.32 3.62 2d05A1 LYS 35 HB2 -0.11 -0.04 0.03 -0.04 1.87 1.71 2d05A1 LYS 35 HB3 0.00 0.20 0.11 -0.04 1.79 2.06 2d05A1 LYS 35 HG2 -0.33 0.02 0.02 -0.04 1.46 1.13 2d05A1 LYS 35 HG3 -0.44 0.01 -0.24 -0.04 1.46 0.74 2d05A1 LYS 35 HD2 -0.39 -0.18 0.02 -0.04 1.69 1.10 2d05A1 LYS 35 HD3 -0.40 -0.01 0.01 -0.04 1.68 1.23 2d05A1 LYS 35 HE2 -1.84 0.12 0.05 -0.04 2.99 1.28 2d05A1 LYS 35 HE3 -1.52 -0.10 -0.09 -0.04 2.99 1.23 2d05A1 PRO 36 HA 0.12 0.06 0.49 -0.51 4.44 4.60 2d05A1 PRO 36 HB2 0.20 0.04 -0.00 -0.04 2.28 2.48 2d05A1 PRO 36 HB3 0.46 -0.03 0.08 -0.04 2.02 2.48 2d05A1 PRO 36 HG2 0.16 0.18 0.10 -0.04 2.03 2.42 2d05A1 PRO 36 HG3 0.27 -0.02 0.10 -0.04 2.03 2.33 2d05A1 PRO 36 HD2 0.12 0.17 -0.06 -0.04 3.68 3.87 2d05A1 PRO 36 HD3 0.28 0.06 0.11 -0.04 3.65 4.05 2d05A1 GLU 37 H -0.01 0.26 -0.39 -0.55 8.60 7.91 2d05A1 GLU 37 HA -0.01 0.16 0.68 -0.75 4.29 4.36 2d05A1 GLU 37 HB2 -0.10 -0.02 0.09 -0.04 2.09 2.02 2d05A1 GLU 37 HB3 -0.12 -0.05 -0.03 -0.04 1.99 1.75 2d05A1 GLU 37 HG2 0.04 0.08 -0.01 -0.04 2.34 2.41 2d05A1 GLU 37 HG3 -0.01 -0.06 -0.05 -0.04 2.34 2.18 2d05A1 GLN 38 H -0.16 0.52 0.07 -0.55 8.47 8.35 2d05A1 GLN 38 HA -0.18 0.18 0.85 -0.75 4.36 4.46 2d05A1 GLN 38 HB2 -0.56 0.06 0.01 -0.04 2.15 1.62 2d05A1 GLN 38 HB3 -0.51 -0.07 0.05 -0.04 2.02 1.44 2d05A1 GLN 38 HG2 -0.47 -0.03 -0.39 -0.04 2.40 1.46 2d05A1 GLN 38 HG3 -1.35 -0.06 -0.09 -0.04 2.39 0.85 2d05A1 GLN 38 HE21 -0.77 -0.07 -0.08 -0.04 6.97 6.01 2d05A1 GLN 38 HE22 -0.52 0.02 -0.12 -0.04 7.69 7.03 2d05A1 ASP 39 H -0.13 0.36 0.09 -0.55 8.40 8.17 2d05A1 ASP 39 HA -0.21 0.16 0.43 -0.75 4.63 4.25 2d05A1 ASP 39 HB2 -0.11 0.01 -0.09 -0.04 2.71 2.47 2d05A1 ASP 39 HB3 -0.08 0.09 0.06 -0.04 2.70 2.74 2d05A1 ASP 40 H -0.12 0.33 -0.26 -0.55 8.40 7.81 2d05A1 ASP 40 HA -0.02 0.06 0.76 -0.75 4.63 4.67 2d05A1 ASP 40 HB2 0.05 0.25 -0.42 -0.04 2.71 2.55 2d05A1 ASP 40 HB3 -0.00 -0.01 -0.15 -0.04 2.70 2.49 2d05A1 LEU 41 H 0.01 0.19 0.07 -0.55 8.37 8.09 2d05A1 LEU 41 HA 0.08 0.21 0.53 -0.75 4.35 4.42 2d05A1 LEU 41 HB2 0.03 -0.02 0.06 -0.04 1.64 1.68 2d05A1 LEU 41 HB3 0.08 -0.04 0.08 -0.04 1.64 1.72 2d05A1 LEU 41 HG -0.04 0.04 -0.02 -0.04 1.64 1.58 2d05A1 LEU 41 HD13 0.00 -0.00 -0.06 -0.04 0.93 0.83 2d05A1 LEU 41 HD23 -0.03 0.00 -0.12 -0.04 0.89 0.70 2d05A1 ASN 42 H 0.09 0.10 -0.32 -0.55 8.53 7.86 2d05A1 ASN 42 HA 0.02 0.09 0.52 -0.75 4.76 4.64 2d05A1 ASN 42 HB2 0.03 0.01 0.06 -0.04 2.88 2.94 2d05A1 ASN 42 HB3 0.07 0.05 0.14 -0.04 2.79 3.01 2d05A1 ASN 42 HD21 -0.04 0.03 -0.01 -0.04 7.03 6.96 2d05A1 ASN 42 HD22 -0.01 0.04 0.02 -0.04 7.74 7.75 2d05A1 TRP 43 H 0.35 0.50 -0.07 -0.55 7.97 8.20 2d05A1 TRP 43 HA 0.20 0.12 0.21 -0.75 4.62 4.38 2d05A1 TRP 43 HB2 0.02 0.01 0.03 -0.04 3.23 3.24 2d05A1 TRP 43 HB3 0.03 0.16 -0.00 -0.04 3.23 3.37 2d05A1 TRP 43 HD1 0.07 0.21 0.06 -0.04 7.22 7.52 2d05A1 TRP 43 HE1 0.11 -0.02 0.06 -0.04 10.20 10.31 2d05A1 TRP 43 HE3 -0.19 -0.04 -0.30 -0.04 7.59 7.03 2d05A1 TRP 43 HZ2 -0.25 -0.07 -0.05 -0.04 7.44 7.03 2d05A1 TRP 43 HZ3 -0.16 -0.01 -0.05 -0.04 7.13 6.87 2d05A1 TRP 43 HH2 -0.77 0.03 -0.12 -0.04 7.19 6.29 2d05A1 ILE 44 H -0.70 0.09 -0.23 -0.55 8.25 6.86 2d05A1 ILE 44 HA -0.56 0.12 0.40 -0.75 4.18 3.38 2d05A1 ILE 44 HB -0.14 0.11 0.11 -0.04 1.89 1.92 2d05A1 ILE 44 HG12 -0.35 -0.07 -0.03 -0.04 1.49 1.00 2d05A1 ILE 44 HG13 -0.17 0.03 -0.17 -0.04 1.21 0.85 2d05A1 ILE 44 HG23 -1.30 0.01 0.07 -0.04 0.93 -0.33 2d05A1 ILE 44 HD13 -0.12 0.01 -0.07 -0.04 0.88 0.66 2d05A1 LYS 45 H -0.05 0.33 -0.33 -0.55 8.42 7.82 2d05A1 LYS 45 HA -0.07 0.06 0.42 -0.75 4.32 3.98 2d05A1 LYS 45 HB2 -0.24 0.15 0.06 -0.04 1.87 1.80 2d05A1 LYS 45 HB3 -0.29 -0.01 0.03 -0.04 1.79 1.48 2d05A1 LYS 45 HG2 -0.07 -0.06 0.01 -0.04 1.46 1.31 2d05A1 LYS 45 HG3 -0.07 -0.00 0.02 -0.04 1.46 1.37 2d05A1 LYS 45 HD2 -0.08 0.01 0.01 -0.04 1.69 1.59 2d05A1 LYS 45 HD3 -0.07 0.01 -0.03 -0.04 1.68 1.55 2d05A1 LYS 45 HE2 -0.05 -0.00 -0.02 -0.04 2.99 2.88 2d05A1 LYS 45 HE3 -0.05 0.01 -0.03 -0.04 2.99 2.88 2d05A1 TYR 46 H 0.20 0.49 -0.40 -0.55 8.29 8.02 2d05A1 TYR 46 HA 0.14 0.05 0.43 -0.75 4.56 4.42 2d05A1 TYR 46 HB2 0.03 0.16 0.04 -0.04 3.06 3.25 2d05A1 TYR 46 HB3 -0.01 0.03 -0.01 -0.04 2.98 2.95 2d05A1 TYR 46 HD2 -0.19 0.01 -0.04 -0.04 7.15 6.89 2d05A1 TYR 46 HE2 -0.10 -0.00 -0.12 -0.04 6.85 6.59 2d05A1 TYR 47 H 0.17 0.46 -0.41 -0.55 8.29 7.97 2d05A1 TYR 47 HA 0.20 -0.06 0.47 -0.75 4.56 4.41 2d05A1 TYR 47 HB2 0.13 0.16 0.17 -0.04 3.06 3.49 2d05A1 TYR 47 HB3 0.33 -0.02 -0.04 -0.04 2.98 3.21 2d05A1 TYR 47 HD2 0.05 0.05 0.13 -0.04 7.15 7.34 2d05A1 TYR 47 HE2 0.09 0.04 0.10 -0.04 6.85 7.03 2d05A1 GLY 48 H 0.18 0.33 -0.24 -0.55 8.43 8.14 2d05A1 GLY 48 HA2 0.11 0.20 0.57 -0.51 4.01 4.38 2d05A1 GLY 48 HA3 0.02 0.03 0.28 -0.51 4.01 3.82 2d05A1 TYR 49 H 0.25 0.28 -0.50 -0.55 8.29 7.78 2d05A1 TYR 49 HA -0.02 0.03 0.44 -0.75 4.56 4.26 2d05A1 TYR 49 HB2 0.17 -0.05 0.07 -0.04 3.06 3.21 2d05A1 TYR 49 HB3 0.14 0.10 0.11 -0.04 2.98 3.29 2d05A1 TYR 49 HD2 0.08 0.04 -0.13 -0.04 7.15 7.09 2d05A1 TYR 49 HE2 0.09 -0.03 -0.15 -0.04 6.85 6.72 2d05A1 CYS 50 H -0.43 0.22 0.15 -0.55 8.50 7.90 2d05A1 CYS 50 HA -0.25 0.28 0.80 -0.75 4.58 4.65 2d05A1 CYS 50 HB2 -0.21 0.10 -0.24 -0.04 2.97 2.58 2d05A1 CYS 50 HB3 -0.21 0.02 0.12 -0.04 2.97 2.86 2d05A1 GLU 51 H -0.11 0.55 0.27 -0.55 8.60 8.76 2d05A1 GLU 51 HA 0.05 0.04 0.65 -0.75 4.29 4.27 2d05A1 GLU 51 HB2 -0.19 0.15 -0.28 -0.04 2.09 1.72 2d05A1 GLU 51 HB3 -0.16 0.02 -0.10 -0.04 1.99 1.71 2d05A1 GLU 51 HG2 0.06 -0.06 -0.47 -0.04 2.34 1.82 2d05A1 GLU 51 HG3 0.04 -0.04 0.02 -0.04 2.34 2.32 2d05A1 ASP 52 H 0.12 0.23 0.14 -0.55 8.40 8.34 2d05A1 ASP 52 HA -0.07 0.18 0.90 -0.75 4.63 4.89 2d05A1 ASP 52 HB2 -0.29 0.00 0.09 -0.04 2.71 2.47 2d05A1 ASP 52 HB3 -0.02 0.05 0.25 -0.04 2.70 2.94 2d05A1 ILE 53 H 0.01 0.24 0.13 -0.55 8.25 8.09 2d05A1 ILE 53 HA 0.04 0.19 0.49 -0.75 4.18 4.14 2d05A1 ILE 53 HB 0.04 -0.07 0.03 -0.04 1.89 1.85 2d05A1 ILE 53 HG12 0.08 -0.03 -0.05 -0.04 1.49 1.45 2d05A1 ILE 53 HG13 0.11 0.10 -0.02 -0.04 1.21 1.36 2d05A1 ILE 53 HG23 0.05 0.04 0.06 -0.04 0.93 1.04 2d05A1 ILE 53 HD13 0.15 0.02 -0.12 -0.04 0.88 0.89 2d05A1 GLU 54 H -0.04 -0.00 -0.53 -0.55 8.60 7.48 2d05A1 GLU 54 HA -0.04 -0.07 0.28 -0.75 4.29 3.71 2d05A1 GLU 54 HB2 0.00 0.27 0.03 -0.04 2.09 2.35 2d05A1 GLU 54 HB3 -0.01 -0.01 0.22 -0.04 1.99 2.15 2d05A1 GLU 54 HG2 -0.02 -0.06 0.03 -0.04 2.34 2.24 2d05A1 GLU 54 HG3 -0.01 0.07 -0.14 -0.04 2.34 2.22 2d05A1 ASP 55 H -0.02 -0.06 -0.15 -0.55 8.40 7.62 2d05A1 ASP 55 HA 0.00 0.29 0.43 -0.75 4.63 4.60 2d05A1 ASP 55 HB2 -0.00 -0.14 -0.01 -0.04 2.71 2.52 2d05A1 ASP 55 HB3 0.01 -0.00 -0.26 -0.04 2.70 2.40 2d05A1 GLU 56 H -0.04 -0.00 -0.09 -0.55 8.60 7.92 2d05A1 GLU 56 HA -0.03 0.02 0.28 -0.75 4.29 3.79 2d05A1 GLU 56 HB2 -0.01 0.47 0.07 -0.04 2.09 2.58 2d05A1 GLU 56 HB3 -0.01 -0.20 0.26 -0.04 1.99 2.00 2d05A1 GLU 56 HG2 -0.02 0.07 -0.22 -0.04 2.34 2.14 2d05A1 GLU 56 HG3 -0.01 0.07 -0.04 -0.04 2.34 2.32 2d05A1 ARG 57 H -0.03 -0.02 -0.21 -0.55 8.46 7.65 2d05A1 ARG 57 HA 0.01 0.15 0.60 -0.75 4.34 4.33 2d05A1 ARG 57 HB2 0.02 -0.01 -0.18 -0.04 1.90 1.68 2d05A1 ARG 57 HB3 0.03 -0.03 -0.00 -0.04 1.80 1.76 2d05A1 ARG 57 HG2 0.03 0.02 -0.43 -0.04 1.67 1.25 2d05A1 ARG 57 HG3 0.02 0.14 -0.41 -0.04 1.67 1.38 2d05A1 ARG 57 HD2 0.04 0.02 -0.10 -0.04 3.22 3.14 2d05A1 ARG 57 HD3 0.05 -0.07 -0.07 -0.04 3.22 3.09 2d05A1 GLY 58 H -0.08 -0.08 -0.08 -0.55 8.43 7.64 2d05A1 GLY 58 HA2 -0.20 0.06 0.30 -0.51 4.01 3.66 2d05A1 GLY 58 HA3 -0.05 0.21 0.61 -0.51 4.01 4.27 2d05A1 TYR 59 H 0.14 0.13 0.21 -0.55 8.29 8.22 2d05A1 TYR 59 HA 0.04 0.13 0.77 -0.75 4.56 4.75 2d05A1 TYR 59 HB2 0.20 -0.03 0.04 -0.04 3.06 3.23 2d05A1 TYR 59 HB3 0.21 0.11 -0.13 -0.04 2.98 3.13 2d05A1 TYR 59 HD2 -0.06 -0.01 -0.12 -0.04 7.15 6.91 2d05A1 TYR 59 HE2 -0.10 0.01 -0.02 -0.04 6.85 6.69 2d05A1 THR 60 H 0.12 0.70 0.38 -0.55 8.28 8.93 2d05A1 THR 60 HA 0.09 0.28 0.81 -0.75 4.39 4.81 2d05A1 THR 60 HB 0.12 -0.02 0.13 -0.04 4.32 4.51 2d05A1 THR 60 HG23 0.16 0.05 -0.18 -0.04 1.22 1.20 2d05A1 ILE 61 H 0.03 0.80 0.23 -0.55 8.25 8.75 2d05A1 ILE 61 HA 0.01 0.33 1.04 -0.75 4.18 4.80 2d05A1 ILE 61 HB 0.02 -0.09 -0.08 -0.04 1.89 1.70 2d05A1 ILE 61 HG12 0.22 -0.05 -0.59 -0.04 1.49 1.02 2d05A1 ILE 61 HG13 0.31 -0.07 -0.21 -0.04 1.21 1.19 2d05A1 ILE 61 HG23 0.18 0.02 -0.17 -0.04 0.93 0.92 2d05A1 ILE 61 HD13 0.16 0.01 -0.15 -0.04 0.88 0.87 2d05A1 GLY 62 H 0.17 0.62 0.16 -0.55 8.43 8.84 2d05A1 GLY 62 HA2 0.15 0.28 0.42 -0.51 4.01 4.35 2d05A1 GLY 62 HA3 -0.13 -0.08 0.55 -0.51 4.01 3.85 2d05A1 LEU 63 H -0.18 0.08 0.16 -0.55 8.37 7.88 2d05A1 LEU 63 HA -0.07 0.18 0.40 -0.75 4.35 4.12 2d05A1 LEU 63 HB2 -0.28 -0.04 0.03 -0.04 1.64 1.30 2d05A1 LEU 63 HB3 -0.22 0.03 -0.01 -0.04 1.64 1.40 2d05A1 LEU 63 HG -0.13 -0.02 -0.03 -0.04 1.64 1.42 2d05A1 LEU 63 HD13 -0.40 -0.00 -0.06 -0.04 0.93 0.43 2d05A1 LEU 63 HD23 0.03 0.01 -0.20 -0.04 0.89 0.70 2d05A1 PHE 64 H -0.77 0.04 -0.08 -0.55 8.34 6.97 2d05A1 PHE 64 HA -0.28 0.36 1.03 -0.75 4.62 4.97 2d05A1 PHE 64 HB2 -0.22 0.07 0.15 -0.04 3.15 3.12 2d05A1 PHE 64 HB3 -1.37 -0.00 -0.09 -0.04 3.06 1.55 2d05A1 PHE 64 HD2 -0.37 0.02 -0.06 -0.04 7.28 6.84 2d05A1 PHE 64 HE2 -0.18 0.05 -0.01 -0.04 7.38 7.20 2d05A1 PHE 64 HZ -0.13 -0.02 -0.09 -0.04 7.32 7.03 2d05A1 GLY 65 H -0.21 0.20 -0.29 -0.55 8.43 7.58 2d05A1 GLY 65 HA2 -0.01 0.03 0.17 -0.51 4.01 3.69 2d05A1 GLY 65 HA3 0.02 0.17 0.34 -0.51 4.01 4.03 2d05A1 ALA 66 H -0.56 0.09 -0.09 -0.55 8.40 7.30 2d05A1 ALA 66 HA -0.03 0.04 0.49 -0.75 4.34 4.09 2d05A1 ALA 66 HB3 -0.31 0.01 -0.04 -0.04 1.41 1.04 2d05A1 THR 67 H 0.05 -0.03 0.31 -0.55 8.28 8.07 2d05A1 THR 67 HA 0.09 0.48 1.12 -0.75 4.39 5.33 2d05A1 THR 67 HB 0.06 0.18 0.09 -0.04 4.32 4.61 2d05A1 THR 67 HG23 0.06 0.05 -0.17 -0.04 1.22 1.11 2d05A1 THR 68 H 0.14 0.32 0.33 -0.55 8.28 8.52 2d05A1 THR 68 HA 0.17 0.04 0.78 -0.75 4.39 4.63 2d05A1 THR 68 HB 0.10 0.00 0.15 -0.04 4.32 4.53 2d05A1 THR 68 HG23 0.34 0.04 -0.04 -0.04 1.22 1.51 2d05A1 GLY 69 H 0.06 0.32 0.09 -0.55 8.43 8.35 2d05A1 GLY 69 HA2 0.04 0.13 0.39 -0.51 4.01 4.05 2d05A1 GLY 69 HA3 0.03 0.14 0.73 -0.51 4.01 4.39 2d05A1 GLY 70 H 0.01 0.70 0.21 -0.55 8.43 8.80 2d05A1 GLY 70 HA2 -0.02 0.10 0.32 -0.51 4.01 3.90 2d05A1 GLY 70 HA3 -0.02 -0.10 0.12 -0.51 4.01 3.49 2d05A1 SER 71 H -0.01 0.08 0.13 -0.55 8.46 8.11 2d05A1 SER 71 HA 0.00 0.07 0.31 -0.75 4.49 4.12 2d05A1 SER 71 HB2 -0.00 0.04 0.09 -0.04 3.95 4.04 2d05A1 SER 71 HB3 -0.01 -0.03 0.15 -0.04 3.93 4.01 2d05A1 ARG 72 H 0.00 0.52 0.02 -0.55 8.46 8.45 2d05A1 ARG 72 HA 0.02 0.14 0.68 -0.75 4.34 4.43 2d05A1 ARG 72 HB2 0.01 0.09 -0.01 -0.04 1.90 1.95 2d05A1 ARG 72 HB3 0.02 0.01 0.13 -0.04 1.80 1.91 2d05A1 ARG 72 HG2 0.01 0.00 -0.01 -0.04 1.67 1.63 2d05A1 ARG 72 HG3 0.00 -0.11 0.02 -0.04 1.67 1.54 2d05A1 ARG 72 HD2 0.00 0.16 0.04 -0.04 3.22 3.38 2d05A1 ARG 72 HD3 0.01 0.00 0.04 -0.04 3.22 3.23 2d05A1 ASP 73 H 0.03 0.41 -0.54 -0.55 8.40 7.75 2d05A1 ASP 73 HA 0.07 0.12 0.63 -0.75 4.63 4.69 2d05A1 ASP 73 HB2 0.04 0.11 -0.21 -0.04 2.71 2.62 2d05A1 ASP 73 HB3 0.04 -0.16 0.17 -0.04 2.70 2.71 2d05A1 THR 74 H 0.12 0.19 0.03 -0.55 8.28 8.07 2d05A1 THR 74 HA -0.00 0.16 0.77 -0.75 4.39 4.57 2d05A1 THR 74 HB -0.07 -0.04 0.14 -0.04 4.32 4.31 2d05A1 THR 74 HG23 0.02 0.02 -0.02 -0.04 1.22 1.20 2d05A1 HIS 75 H 0.21 0.02 -0.19 -0.55 8.41 7.90 2d05A1 HIS 75 HA 0.02 0.23 0.83 -0.75 4.63 4.95 2d05A1 HIS 75 HB2 0.02 -0.03 0.15 -0.04 3.26 3.36 2d05A1 HIS 75 HB3 0.02 0.03 0.18 -0.04 3.20 3.38 2d05A1 HIS 75 HD2 0.01 0.01 0.02 -0.04 6.97 6.96 2d05A1 HIS 75 HE1 0.01 -0.00 -0.05 -0.04 7.75 7.67 2d05A1 PRO 76 HA 0.09 0.03 0.44 -0.51 4.44 4.49 2d05A1 PRO 76 HB2 0.08 0.14 -0.04 -0.04 2.28 2.43 2d05A1 PRO 76 HB3 0.07 -0.02 -0.07 -0.04 2.02 1.96 2d05A1 PRO 76 HG2 0.06 0.04 0.04 -0.04 2.03 2.13 2d05A1 PRO 76 HG3 0.05 0.03 -0.09 -0.04 2.03 1.98 2d05A1 PRO 76 HD2 0.02 0.35 -0.20 -0.04 3.68 3.81 2d05A1 PRO 76 HD3 0.04 0.09 -0.36 -0.04 3.65 3.37 2d05A1 ASP 77 H 0.08 0.07 0.29 -0.55 8.40 8.29 2d05A1 ASP 77 HA 0.08 0.20 0.79 -0.75 4.63 4.94 2d05A1 ASP 77 HB2 0.12 -0.03 0.12 -0.04 2.71 2.88 2d05A1 ASP 77 HB3 0.14 -0.03 0.12 -0.04 2.70 2.89 2d05A1 GLY 78 H 0.10 0.33 0.08 -0.55 8.43 8.40 2d05A1 GLY 78 HA2 0.06 0.00 0.33 -0.51 4.01 3.89 2d05A1 GLY 78 HA3 0.18 0.20 0.19 -0.51 4.01 4.07 2d05A1 PRO 79 HA 0.27 -0.03 0.40 -0.51 4.44 4.56 2d05A1 PRO 79 HB2 0.10 0.11 -0.04 -0.04 2.28 2.40 2d05A1 PRO 79 HB3 0.10 -0.05 -0.03 -0.04 2.02 2.00 2d05A1 PRO 79 HG2 0.07 0.35 -0.12 -0.04 2.03 2.29 2d05A1 PRO 79 HG3 0.11 -0.05 -0.12 -0.04 2.03 1.92 2d05A1 PRO 79 HD2 0.10 0.31 -0.32 -0.04 3.68 3.73 2d05A1 PRO 79 HD3 0.13 0.12 0.05 -0.04 3.65 3.91 2d05A1 ASP 80 H 0.11 0.28 -0.46 -0.55 8.40 7.78 2d05A1 ASP 80 HA 0.09 0.00 0.28 -0.75 4.63 4.25 2d05A1 ASP 80 HB2 0.07 0.20 0.10 -0.04 2.71 3.05 2d05A1 ASP 80 HB3 0.06 -0.02 -0.00 -0.04 2.70 2.70 2d05A1 LEU 81 H 0.07 0.41 -0.22 -0.55 8.37 8.07 2d05A1 LEU 81 HA -0.04 0.06 0.44 -0.75 4.35 4.05 2d05A1 LEU 81 HB2 -0.08 0.02 0.07 -0.04 1.64 1.60 2d05A1 LEU 81 HB3 -0.19 0.15 0.16 -0.04 1.64 1.72 2d05A1 LEU 81 HG -0.70 -0.03 -0.30 -0.04 1.64 0.56 2d05A1 LEU 81 HD13 -0.47 -0.00 -0.12 -0.04 0.93 0.30 2d05A1 LEU 81 HD23 -0.45 0.01 -0.10 -0.04 0.89 0.30 2d05A1 PHE 82 H 0.19 0.51 -0.07 -0.55 8.34 8.42 2d05A1 PHE 82 HA 0.33 0.05 0.39 -0.75 4.62 4.64 2d05A1 PHE 82 HB2 0.15 0.06 0.14 -0.04 3.15 3.46 2d05A1 PHE 82 HB3 0.19 -0.04 0.05 -0.04 3.06 3.22 2d05A1 PHE 82 HD2 0.21 0.02 -0.12 -0.04 7.28 7.35 2d05A1 PHE 82 HE2 0.11 0.01 -0.13 -0.04 7.38 7.32 2d05A1 PHE 82 HZ 0.24 0.02 -0.13 -0.04 7.32 7.41 2d05A1 LYS 83 H 0.23 0.60 -0.25 -0.55 8.42 8.45 2d05A1 LYS 83 HA 0.16 -0.05 -0.01 -0.75 4.32 3.67 2d05A1 LYS 83 HB2 0.12 -0.11 -0.05 -0.04 1.87 1.79 2d05A1 LYS 83 HB3 0.10 0.18 0.04 -0.04 1.79 2.07 2d05A1 LYS 83 HG2 0.07 0.05 -0.35 -0.04 1.46 1.18 2d05A1 LYS 83 HG3 0.07 -0.11 -0.46 -0.04 1.46 0.92 2d05A1 LYS 83 HD2 0.06 -0.12 -0.06 -0.04 1.69 1.54 2d05A1 LYS 83 HD3 0.06 0.03 -0.08 -0.04 1.68 1.64 2d05A1 LYS 83 HE2 0.04 -0.02 -0.10 -0.04 2.99 2.88 2d05A1 LYS 83 HE3 0.04 0.35 -0.05 -0.04 2.99 3.29 2d05A1 ALA 84 H 0.10 0.53 -0.26 -0.55 8.40 8.22 2d05A1 ALA 84 HA 0.04 0.02 0.38 -0.75 4.34 4.02 2d05A1 ALA 84 HB3 0.01 0.04 0.14 -0.04 1.41 1.56 2d05A1 TYR 85 H 0.25 0.43 -0.31 -0.55 8.29 8.11 2d05A1 TYR 85 HA 0.11 0.04 0.42 -0.75 4.56 4.37 2d05A1 TYR 85 HB2 0.28 0.03 0.06 -0.04 3.06 3.38 2d05A1 TYR 85 HB3 0.33 0.14 0.14 -0.04 2.98 3.55 2d05A1 TYR 85 HD2 0.32 0.00 -0.21 -0.04 7.15 7.23 2d05A1 TYR 85 HE2 0.16 -0.06 -0.09 -0.04 6.85 6.81 2d05A1 ASP 86 H 0.20 0.51 -0.13 -0.55 8.40 8.42 2d05A1 ASP 86 HA -0.07 0.05 0.40 -0.75 4.63 4.25 2d05A1 ASP 86 HB2 0.16 0.09 0.15 -0.04 2.71 3.07 2d05A1 ASP 86 HB3 0.08 0.07 0.15 -0.04 2.70 2.95 2d05A1 ALA 87 H 0.03 0.49 -0.21 -0.55 8.40 8.16 2d05A1 ALA 87 HA -0.01 0.10 0.43 -0.75 4.34 4.10 2d05A1 ALA 87 HB3 0.01 0.03 0.06 -0.04 1.41 1.47 2d05A1 ALA 88 H -0.04 0.48 -0.17 -0.55 8.40 8.13 2d05A1 ALA 88 HA -0.04 0.04 0.45 -0.75 4.34 4.05 2d05A1 ALA 88 HB3 -0.02 -0.01 0.13 -0.04 1.41 1.46 2d05A1 LYS 89 H -0.18 0.36 -0.39 -0.55 8.42 7.66 2d05A1 LYS 89 HA -0.10 0.04 0.63 -0.75 4.32 4.13 2d05A1 LYS 89 HB2 -0.21 0.06 0.09 -0.04 1.87 1.78 2d05A1 LYS 89 HB3 -0.12 -0.04 0.13 -0.04 1.79 1.72 2d05A1 LYS 89 HG2 -0.77 0.16 0.00 -0.04 1.46 0.81 2d05A1 LYS 89 HG3 -0.55 -0.04 -0.02 -0.04 1.46 0.81 2d05A1 LYS 89 HD2 -0.11 0.04 0.01 -0.04 1.69 1.59 2d05A1 LYS 89 HD3 -0.13 -0.13 -0.03 -0.04 1.68 1.35 2d05A1 LYS 89 HE2 -0.01 0.02 0.00 -0.04 2.99 2.96 2d05A1 LYS 89 HE3 -0.05 0.03 0.05 -0.04 2.99 2.99 2d05A1 GLY 90 H -0.05 0.36 -0.63 -0.55 8.43 7.55 2d05A1 GLY 90 HA2 -0.02 0.05 0.22 -0.51 4.01 3.75 2d05A1 GLY 90 HA3 -0.02 0.09 0.63 -0.51 4.01 4.20 2d05A1 ALA 91 H -0.03 0.41 0.02 -0.55 8.40 8.25 2d05A1 ALA 91 HA -0.00 0.02 0.40 -0.75 4.34 4.00 2d05A1 ALA 91 HB3 0.00 -0.03 -0.15 -0.04 1.41 1.19 2d05A1 SER 92 H 0.00 0.09 0.14 -0.55 8.46 8.15 2d05A1 SER 92 HA 0.01 0.17 0.57 -0.75 4.49 4.48 2d05A1 SER 92 HB2 0.01 0.01 0.09 -0.04 3.95 4.01 2d05A1 SER 92 HB3 0.00 0.05 0.10 -0.04 3.93 4.05 2d05A1 ASN 93 H 0.01 0.00 -0.24 -0.55 8.53 7.75 2d05A1 ASN 93 HA 0.02 0.24 0.74 -0.75 4.76 5.00 2d05A1 ASN 93 HB2 0.01 0.02 -0.10 -0.04 2.88 2.76 2d05A1 ASN 93 HB3 0.01 -0.07 0.12 -0.04 2.79 2.81 2d05A1 ASN 93 HD21 0.02 -0.01 -0.02 -0.04 7.03 6.98 2d05A1 ASN 93 HD22 0.01 -0.04 0.00 -0.04 7.74 7.68 2d05A1 PRO 94 HA 0.03 -0.06 0.35 -0.51 4.44 4.26 2d05A1 PRO 94 HB2 0.05 0.09 -0.06 -0.04 2.28 2.32 2d05A1 PRO 94 HB3 0.02 0.02 -0.13 -0.04 2.02 1.89 2d05A1 PRO 94 HG2 0.03 -0.01 -0.01 -0.04 2.03 2.00 2d05A1 PRO 94 HG3 0.02 0.08 -0.03 -0.04 2.03 2.05 2d05A1 PRO 94 HD2 0.02 0.16 -0.08 -0.04 3.68 3.74 2d05A1 PRO 94 HD3 0.01 0.34 -0.46 -0.04 3.65 3.50 2d05A1 SER 95 H 0.06 0.21 0.24 -0.55 8.46 8.43 2d05A1 SER 95 HA 0.07 0.21 0.55 -0.75 4.49 4.55 2d05A1 SER 95 HB2 0.04 -0.09 0.16 -0.04 3.95 4.03 2d05A1 SER 95 HB3 0.04 0.28 -0.12 -0.04 3.93 4.08 2d05A1 ALA 96 H 0.08 0.26 0.13 -0.55 8.40 8.33 2d05A1 ALA 96 HA 0.20 0.07 0.30 -0.75 4.34 4.16 2d05A1 ALA 96 HB3 0.10 0.05 0.09 -0.04 1.41 1.61 2d05A1 ASP 97 H 0.04 0.12 -0.07 -0.55 8.40 7.94 2d05A1 ASP 97 HA -0.01 0.10 0.37 -0.75 4.63 4.33 2d05A1 ASP 97 HB2 0.02 0.00 0.08 -0.04 2.71 2.77 2d05A1 ASP 97 HB3 0.00 0.11 0.03 -0.04 2.70 2.80 2d05A1 GLY 98 H 0.05 0.04 -0.34 -0.55 8.43 7.62 2d05A1 GLY 98 HA2 0.03 0.09 0.38 -0.51 4.01 4.00 2d05A1 GLY 98 HA3 0.05 0.06 0.27 -0.51 4.01 3.87 2d05A1 ALA 99 H 0.12 0.35 -0.25 -0.55 8.40 8.07 2d05A1 ALA 99 HA 0.23 0.06 0.48 -0.75 4.34 4.36 2d05A1 ALA 99 HB3 0.41 0.04 0.09 -0.04 1.41 1.91 2d05A1 LEU 100 H -0.00 0.49 -0.09 -0.55 8.37 8.23 2d05A1 LEU 100 HA -0.07 0.00 0.33 -0.75 4.35 3.86 2d05A1 LEU 100 HB2 -0.07 0.12 0.08 -0.04 1.64 1.73 2d05A1 LEU 100 HB3 -0.09 0.04 -0.02 -0.04 1.64 1.52 2d05A1 LEU 100 HG -0.28 0.14 -0.03 -0.04 1.64 1.43 2d05A1 LEU 100 HD13 -0.18 -0.04 -0.30 -0.04 0.93 0.37 2d05A1 LEU 100 HD23 -0.57 -0.02 -0.13 -0.04 0.89 0.13 2d05A1 LYS 101 H 0.02 0.39 -0.27 -0.55 8.42 8.00 2d05A1 LYS 101 HA 0.00 0.06 0.48 -0.75 4.32 4.11 2d05A1 LYS 101 HB2 0.02 0.10 0.14 -0.04 1.87 2.09 2d05A1 LYS 101 HB3 0.01 -0.02 0.00 -0.04 1.79 1.74 2d05A1 LYS 101 HG2 -0.00 -0.01 0.05 -0.04 1.46 1.45 2d05A1 LYS 101 HG3 0.00 0.18 0.07 -0.04 1.46 1.67 2d05A1 LYS 101 HD2 0.01 -0.03 -0.02 -0.04 1.69 1.61 2d05A1 LYS 101 HD3 0.01 -0.00 0.00 -0.04 1.68 1.64 2d05A1 LYS 101 HE2 0.00 -0.01 -0.01 -0.04 2.99 2.92 2d05A1 LYS 101 HE3 -0.00 0.01 0.00 -0.04 2.99 2.96 2d05A1 ARG 102 H 0.06 0.43 -0.13 -0.55 8.46 8.27 2d05A1 ARG 102 HA 0.04 0.01 0.43 -0.75 4.34 4.07 2d05A1 ARG 102 HB2 0.17 0.15 0.15 -0.04 1.90 2.33 2d05A1 ARG 102 HB3 0.12 -0.04 -0.07 -0.04 1.80 1.77 2d05A1 ARG 102 HG2 0.04 -0.04 0.05 -0.04 1.67 1.68 2d05A1 ARG 102 HG3 0.06 0.19 0.10 -0.04 1.67 1.98 2d05A1 ARG 102 HD2 0.07 -0.03 -0.02 -0.04 3.22 3.20 2d05A1 ARG 102 HD3 0.01 -0.00 -0.01 -0.04 3.22 3.18 2d05A1 LEU 103 H 0.06 0.36 -0.30 -0.55 8.37 7.94 2d05A1 LEU 103 HA 0.01 0.10 0.56 -0.75 4.35 4.26 2d05A1 LEU 103 HB2 -0.01 -0.00 0.06 -0.04 1.64 1.65 2d05A1 LEU 103 HB3 -0.07 -0.04 0.02 -0.04 1.64 1.50 2d05A1 LEU 103 HG 0.16 0.07 -0.04 -0.04 1.64 1.80 2d05A1 LEU 103 HD13 -0.06 -0.04 -0.14 -0.04 0.93 0.66 2d05A1 LEU 103 HD23 -0.13 0.00 -0.07 -0.04 0.89 0.66 2d05A1 GLY 104 H 0.01 0.29 -0.47 -0.55 8.43 7.71 2d05A1 GLY 104 HA2 -0.01 0.03 0.29 -0.51 4.01 3.81 2d05A1 GLY 104 HA3 -0.01 0.04 0.51 -0.51 4.01 4.04 2d05A1 ILE 105 H -0.02 0.61 -0.01 -0.55 8.25 8.29 2d05A1 ILE 105 HA 0.00 0.09 0.71 -0.75 4.18 4.23 2d05A1 ILE 105 HB -0.04 -0.03 0.06 -0.04 1.89 1.85 2d05A1 ILE 105 HG12 0.02 0.03 -0.12 -0.04 1.49 1.37 2d05A1 ILE 105 HG13 -0.03 0.06 -0.28 -0.04 1.21 0.92 2d05A1 ILE 105 HG23 0.05 -0.04 -0.27 -0.04 0.93 0.62 2d05A1 ILE 105 HD13 0.02 -0.02 -0.09 -0.04 0.88 0.75 2d05A1 ASN 106 H -0.01 0.12 0.07 -0.55 8.53 8.16 2d05A1 ASN 106 HA -0.03 0.18 0.69 -0.75 4.76 4.85 2d05A1 ASN 106 HB2 -0.01 0.09 0.06 -0.04 2.88 2.97 2d05A1 ASN 106 HB3 -0.02 -0.13 0.19 -0.04 2.79 2.79 2d05A1 ASN 106 HD21 -0.01 0.02 -0.04 -0.04 7.03 6.96 2d05A1 ASN 106 HD22 -0.01 0.00 -0.02 -0.04 7.74 7.66 2d05A1 GLY 107 H -0.05 0.50 0.19 -0.55 8.43 8.53 2d05A1 GLY 107 HA2 -0.06 0.11 0.51 -0.51 4.01 4.06 2d05A1 GLY 107 HA3 -0.10 -0.03 0.39 -0.51 4.01 3.76 2d05A1 LYS 108 H -0.06 0.60 0.30 -0.55 8.42 8.70 2d05A1 LYS 108 HA -0.04 0.00 0.42 -0.75 4.32 3.94 2d05A1 LYS 108 HB2 -0.02 -0.02 0.12 -0.04 1.87 1.91 2d05A1 LYS 108 HB3 -0.03 0.20 0.03 -0.04 1.79 1.95 2d05A1 LYS 108 HG2 -0.03 -0.07 -0.26 -0.04 1.46 1.06 2d05A1 LYS 108 HG3 -0.02 0.03 -0.31 -0.04 1.46 1.11 2d05A1 LYS 108 HD2 -0.02 -0.02 -0.11 -0.04 1.69 1.51 2d05A1 LYS 108 HD3 -0.01 0.04 -0.07 -0.04 1.68 1.60 2d05A1 LYS 108 HE2 -0.02 0.04 -0.04 -0.04 2.99 2.93 2d05A1 LYS 108 HE3 -0.02 -0.02 -0.12 -0.04 2.99 2.78 2d05A1 MET 109 H -0.01 0.07 0.14 -0.55 8.47 8.12 2d05A1 MET 109 HA -0.01 0.25 0.66 -0.75 4.52 4.67 2d05A1 MET 109 HB2 0.01 -0.07 0.16 -0.04 2.15 2.21 2d05A1 MET 109 HB3 0.01 0.19 -0.07 -0.04 2.03 2.11 2d05A1 MET 109 HG2 0.01 -0.11 -0.05 -0.04 2.63 2.45 2d05A1 MET 109 HG3 0.03 -0.14 0.04 -0.04 2.56 2.45 2d05A1 MET 109 HE3 0.04 -0.00 -0.02 -0.04 2.10 2.07 2d05A1 LYS 110 H -0.01 0.72 0.13 -0.55 8.42 8.70 2d05A1 LYS 110 HA -0.01 0.11 0.78 -0.75 4.32 4.45 2d05A1 LYS 110 HB2 -0.02 0.03 -0.07 -0.04 1.87 1.77 2d05A1 LYS 110 HB3 -0.02 -0.01 0.08 -0.04 1.79 1.81 2d05A1 LYS 110 HG2 -0.01 -0.03 -0.06 -0.04 1.46 1.31 2d05A1 LYS 110 HG3 -0.01 0.01 -0.02 -0.04 1.46 1.39 2d05A1 LYS 110 HD2 -0.01 -0.00 -0.03 -0.04 1.69 1.60 2d05A1 LYS 110 HD3 -0.01 0.01 -0.03 -0.04 1.68 1.61 2d05A1 LYS 110 HE2 -0.02 0.00 -0.04 -0.04 2.99 2.89 2d05A1 LYS 110 HE3 -0.02 0.00 -0.05 -0.04 2.99 2.88 2d05A1 GLY 111 H -0.01 0.18 0.02 -0.55 8.43 8.08 2d05A1 GLY 111 HA2 -0.01 0.05 0.34 -0.51 4.01 3.87 2d05A1 GLY 111 HA3 -0.02 0.06 0.50 -0.51 4.01 4.04 2d05A1 SER 112 H -0.04 0.18 0.24 -0.55 8.46 8.30 2d05A1 SER 112 HA -0.01 0.15 0.85 -0.75 4.49 4.73 2d05A1 SER 112 HB2 -0.05 0.02 0.23 -0.04 3.95 4.10 2d05A1 SER 112 HB3 -0.06 -0.06 0.05 -0.04 3.93 3.82 2d05A1 ILE 113 H -0.01 0.30 -0.11 -0.55 8.25 7.88 2d05A1 ILE 113 HA 0.02 0.21 0.80 -0.75 4.18 4.46 2d05A1 ILE 113 HB -0.01 0.01 0.12 -0.04 1.89 1.96 2d05A1 ILE 113 HG12 -0.01 -0.05 -0.08 -0.04 1.49 1.31 2d05A1 ILE 113 HG13 0.01 -0.02 0.12 -0.04 1.21 1.28 2d05A1 ILE 113 HG23 -0.01 0.00 -0.27 -0.04 0.93 0.61 2d05A1 ILE 113 HD13 -0.02 0.02 -0.17 -0.04 0.88 0.67 2d05A1 LEU 114 H 0.03 0.78 0.30 -0.55 8.37 8.93 2d05A1 LEU 114 HA -0.01 0.08 0.77 -0.75 4.35 4.43 2d05A1 LEU 114 HB2 0.04 0.10 0.20 -0.04 1.64 1.94 2d05A1 LEU 114 HB3 -0.06 -0.05 -0.17 -0.04 1.64 1.32 2d05A1 LEU 114 HG 0.10 0.02 -0.11 -0.04 1.64 1.61 2d05A1 LEU 114 HD13 0.03 -0.01 -0.15 -0.04 0.93 0.75 2d05A1 LEU 114 HD23 -0.02 -0.01 -0.21 -0.04 0.89 0.61 2d05A1 GLU 115 H -0.04 0.74 0.22 -0.55 8.60 8.98 2d05A1 GLU 115 HA -0.04 0.13 0.78 -0.75 4.29 4.41 2d05A1 GLU 115 HB2 -0.03 0.01 -0.00 -0.04 2.09 2.03 2d05A1 GLU 115 HB3 -0.03 0.05 0.17 -0.04 1.99 2.13 2d05A1 GLU 115 HG2 -0.04 -0.01 -0.33 -0.04 2.34 1.93 2d05A1 GLU 115 HG3 -0.03 0.02 -0.05 -0.04 2.34 2.24 2d05A1 ILE 116 H -0.07 0.24 0.10 -0.55 8.25 7.96 2d05A1 ILE 116 HA -0.14 0.12 0.97 -0.75 4.18 4.37 2d05A1 ILE 116 HB -0.14 0.02 0.07 -0.04 1.89 1.79 2d05A1 ILE 116 HG12 -0.21 0.06 -0.14 -0.04 1.49 1.16 2d05A1 ILE 116 HG13 -0.92 -0.02 -0.09 -0.04 1.21 0.14 2d05A1 ILE 116 HG23 -0.42 -0.01 -0.09 -0.04 0.93 0.37 2d05A1 ILE 116 HD13 -0.31 0.00 -0.28 -0.04 0.88 0.24 2d05A1 LYS 117 H -0.06 0.67 0.36 -0.55 8.42 8.84 2d05A1 LYS 117 HA -0.02 0.13 0.69 -0.75 4.32 4.36 2d05A1 LYS 117 HB2 -0.03 0.06 0.04 -0.04 1.87 1.90 2d05A1 LYS 117 HB3 -0.02 -0.03 0.02 -0.04 1.79 1.72 2d05A1 LYS 117 HG2 -0.02 0.00 -0.09 -0.04 1.46 1.31 2d05A1 LYS 117 HG3 -0.03 -0.01 -0.19 -0.04 1.46 1.19 2d05A1 LYS 117 HD2 -0.02 -0.01 -0.11 -0.04 1.69 1.50 2d05A1 LYS 117 HD3 -0.02 -0.01 -0.05 -0.04 1.68 1.56 2d05A1 LYS 117 HE2 -0.02 0.00 -0.12 -0.04 2.99 2.81 2d05A1 LYS 117 HE3 -0.02 0.00 -0.08 -0.04 2.99 2.86 2d05A1 ASP 118 H -0.04 0.12 0.11 -0.55 8.40 8.04 2d05A1 ASP 118 HA 0.00 0.07 0.56 -0.75 4.63 4.50 2d05A1 ASP 118 HB2 0.01 -0.02 0.03 -0.04 2.71 2.70 2d05A1 ASP 118 HB3 0.03 -0.04 0.04 -0.04 2.70 2.69 2d05A1 SER 119 H 0.02 0.08 0.18 -0.55 8.46 8.20 2d05A1 SER 119 HA 0.06 0.20 0.43 -0.75 4.49 4.42 2d05A1 SER 119 HB2 0.04 -0.04 0.15 -0.04 3.95 4.07 2d05A1 SER 119 HB3 0.02 0.15 0.16 -0.04 3.93 4.22 2d05A1 GLU 120 H 0.12 0.20 0.17 -0.55 8.60 8.55 2d05A1 GLU 120 HA 0.15 0.09 0.33 -0.75 4.29 4.10 2d05A1 GLU 120 HB2 0.32 0.04 0.14 -0.04 2.09 2.55 2d05A1 GLU 120 HB3 0.13 0.00 0.16 -0.04 1.99 2.24 2d05A1 GLU 120 HG2 0.10 0.07 -0.20 -0.04 2.34 2.27 2d05A1 GLU 120 HG3 0.28 -0.03 0.02 -0.04 2.34 2.56 2d05A1 LYS 121 H 0.05 0.06 -0.13 -0.55 8.42 7.85 2d05A1 LYS 121 HA -0.00 0.13 0.33 -0.75 4.32 4.02 2d05A1 LYS 121 HB2 0.01 0.03 0.09 -0.04 1.87 1.96 2d05A1 LYS 121 HB3 0.01 -0.09 0.06 -0.04 1.79 1.73 2d05A1 LYS 121 HG2 -0.01 0.04 -0.26 -0.04 1.46 1.18 2d05A1 LYS 121 HG3 -0.01 0.05 0.00 -0.04 1.46 1.46 2d05A1 LYS 121 HD2 0.00 0.00 0.00 -0.04 1.69 1.66 2d05A1 LYS 121 HD3 -0.00 -0.03 -0.03 -0.04 1.68 1.58 2d05A1 LYS 121 HE2 -0.01 0.01 -0.01 -0.04 2.99 2.94 2d05A1 LYS 121 HE3 -0.01 0.01 -0.04 -0.04 2.99 2.91 2d05A1 VAL 122 H 0.01 -0.00 -0.27 -0.55 8.24 7.43 2d05A1 VAL 122 HA -0.03 0.14 0.47 -0.75 4.13 3.95 2d05A1 VAL 122 HB 0.02 -0.08 0.13 -0.04 2.12 2.15 2d05A1 VAL 122 HG13 -0.00 0.03 -0.10 -0.04 0.97 0.86 2d05A1 VAL 122 HG23 -0.01 0.01 0.04 -0.04 0.95 0.95 2d05A1 PHE 123 H 0.08 0.64 -0.10 -0.55 8.34 8.41 2d05A1 PHE 123 HA -0.15 0.04 0.31 -0.75 4.62 4.07 2d05A1 PHE 123 HB2 -0.20 -0.02 -0.06 -0.04 3.15 2.83 2d05A1 PHE 123 HB3 -0.37 0.00 0.02 -0.04 3.06 2.68 2d05A1 PHE 123 HD2 -0.67 -0.02 -0.11 -0.04 7.28 6.44 2d05A1 PHE 123 HE2 -0.24 -0.01 -0.14 -0.04 7.38 6.94 2d05A1 PHE 123 HZ 0.19 0.01 -0.14 -0.04 7.32 7.34 2d05A1 CYS 124 H -0.11 0.62 -0.00 -0.55 8.50 8.46 2d05A1 CYS 124 HA -0.54 0.01 0.48 -0.75 4.58 3.77 2d05A1 CYS 124 HB2 -0.09 0.14 0.04 -0.04 2.97 3.02 2d05A1 CYS 124 HB3 -0.16 0.07 0.04 -0.04 2.97 2.89 2d05A1 GLY 125 H -0.14 0.29 -0.57 -0.55 8.43 7.46 2d05A1 GLY 125 HA2 -0.12 0.01 0.48 -0.51 4.01 3.86 2d05A1 GLY 125 HA3 -0.10 0.11 0.34 -0.51 4.01 3.84 2d05A1 LYS 126 H -0.23 0.42 -0.19 -0.55 8.42 7.87 2d05A1 LYS 126 HA -0.18 0.06 0.51 -0.75 4.32 3.95 2d05A1 LYS 126 HB2 -0.25 0.11 0.15 -0.04 1.87 1.84 2d05A1 LYS 126 HB3 -0.21 -0.03 0.00 -0.04 1.79 1.51 2d05A1 LYS 126 HG2 -0.11 -0.00 0.03 -0.04 1.46 1.33 2d05A1 LYS 126 HG3 -0.11 -0.00 0.02 -0.04 1.46 1.33 2d05A1 LYS 126 HD2 -0.06 -0.12 -0.10 -0.04 1.69 1.37 2d05A1 LYS 126 HD3 -0.07 0.13 -0.13 -0.04 1.68 1.56 2d05A1 LYS 126 HE2 -0.05 -0.11 -0.01 -0.04 2.99 2.78 2d05A1 LYS 126 HE3 -0.03 0.10 -0.04 -0.04 2.99 2.99 2d05A1 ILE 127 H -0.45 0.28 -0.19 -0.55 8.25 7.35 2d05A1 ILE 127 HA -0.62 0.01 0.32 -0.75 4.18 3.14 2d05A1 ILE 127 HB -0.39 0.11 0.06 -0.04 1.89 1.63 2d05A1 ILE 127 HG12 -0.92 0.24 0.04 -0.04 1.49 0.82 2d05A1 ILE 127 HG13 -0.79 -0.08 -0.10 -0.04 1.21 0.21 2d05A1 ILE 127 HG23 -0.25 -0.01 -0.16 -0.04 0.93 0.47 2d05A1 ILE 127 HD13 -0.37 -0.02 -0.11 -0.04 0.88 0.33 2d05A1 LYS 128 H -0.24 0.53 -0.14 -0.55 8.42 8.02 2d05A1 LYS 128 HA -0.12 0.09 0.48 -0.75 4.32 4.02 2d05A1 LYS 128 HB2 -0.12 0.06 0.17 -0.04 1.87 1.94 2d05A1 LYS 128 HB3 -0.14 0.11 0.17 -0.04 1.79 1.89 2d05A1 LYS 128 HG2 -0.08 -0.05 0.01 -0.04 1.46 1.31 2d05A1 LYS 128 HG3 -0.09 -0.03 -0.19 -0.04 1.46 1.12 2d05A1 LYS 128 HD2 -0.06 -0.06 0.02 -0.04 1.69 1.54 2d05A1 LYS 128 HD3 -0.07 -0.06 0.16 -0.04 1.68 1.67 2d05A1 LYS 128 HE2 -0.07 0.19 0.04 -0.04 2.99 3.10 2d05A1 LYS 128 HE3 -0.06 -0.05 0.01 -0.04 2.99 2.84 2d05A1 LYS 129 H -0.20 0.36 -0.45 -0.55 8.42 7.57 2d05A1 LYS 129 HA -0.11 0.01 0.38 -0.75 4.32 3.85 2d05A1 LYS 129 HB2 -0.18 0.20 0.06 -0.04 1.87 1.92 2d05A1 LYS 129 HB3 -0.11 -0.09 0.12 -0.04 1.79 1.66 2d05A1 LYS 129 HG2 -0.13 0.43 0.17 -0.04 1.46 1.89 2d05A1 LYS 129 HG3 -0.10 -0.07 0.05 -0.04 1.46 1.30 2d05A1 LYS 129 HD2 -0.07 -0.06 0.03 -0.04 1.69 1.55 2d05A1 LYS 129 HD3 -0.09 -0.05 -0.09 -0.04 1.68 1.41 2d05A1 LYS 129 HE2 -0.07 -0.04 0.01 -0.04 2.99 2.85 2d05A1 LYS 129 HE3 -0.06 -0.06 -0.01 -0.04 2.99 2.82 2d05A1 LEU 130 H -0.34 0.60 -0.55 -0.55 8.37 7.54 2d05A1 LEU 130 HA -0.24 0.05 0.70 -0.75 4.35 4.11 2d05A1 LEU 130 HB2 -1.10 0.30 0.08 -0.04 1.64 0.88 2d05A1 LEU 130 HB3 -1.17 -0.17 0.11 -0.04 1.64 0.38 2d05A1 LEU 130 HG -0.61 0.24 -0.01 -0.04 1.64 1.22 2d05A1 LEU 130 HD13 -1.67 -0.03 -0.04 -0.04 0.93 -0.85 2d05A1 LEU 130 HD23 -0.35 -0.03 -0.03 -0.04 0.89 0.44 2d05A1 GLN 131 H -0.10 0.44 -0.26 -0.55 8.47 8.01 2d05A1 GLN 131 HA 0.18 -0.01 0.21 -0.75 4.36 3.98 2d05A1 GLN 131 HB2 0.02 0.11 0.16 -0.04 2.15 2.40 2d05A1 GLN 131 HB3 -0.01 -0.01 0.06 -0.04 2.02 2.02 2d05A1 GLN 131 HG2 0.09 -0.01 -0.15 -0.04 2.40 2.29 2d05A1 GLN 131 HG3 0.15 0.02 0.12 -0.04 2.39 2.64 2d05A1 GLN 131 HE21 -0.05 -0.06 0.03 -0.04 6.97 6.85 2d05A1 GLN 131 HE22 -0.02 0.08 0.10 -0.04 7.69 7.81 2d05A1 ASN 132 H -0.03 0.16 -0.40 -0.55 8.53 7.72 2d05A1 ASN 132 HA -0.03 0.27 0.89 -0.75 4.76 5.13 2d05A1 ASN 132 HB2 -0.02 0.01 0.02 -0.04 2.88 2.85 2d05A1 ASN 132 HB3 -0.01 -0.03 0.17 -0.04 2.79 2.88 2d05A1 ASN 132 HD21 -0.02 -0.00 -0.06 -0.04 7.03 6.90 2d05A1 ASN 132 HD22 -0.02 0.01 -0.03 -0.04 7.74 7.65 2d05A1 ASP 133 H 0.03 0.64 -0.28 -0.55 8.40 8.24 2d05A1 ASP 133 HA 0.05 0.09 0.75 -0.75 4.63 4.77 2d05A1 ASP 133 HB2 0.01 0.12 0.14 -0.04 2.71 2.94 2d05A1 ASP 133 HB3 0.12 0.13 0.26 -0.04 2.70 3.18 2d05A1 ALA 134 H 0.06 0.25 0.15 -0.55 8.40 8.31 2d05A1 ALA 134 HA 0.05 0.15 0.35 -0.75 4.34 4.14 2d05A1 ALA 134 HB3 0.05 0.02 0.12 -0.04 1.41 1.55 2d05A1 ALA 135 H 0.15 0.13 -0.15 -0.55 8.40 7.98 2d05A1 ALA 135 HA 0.09 0.08 0.46 -0.75 4.34 4.22 2d05A1 ALA 135 HB3 0.07 0.04 -0.03 -0.04 1.41 1.46 2d05A1 TRP 136 H 0.45 0.12 -0.25 -0.55 7.97 7.74 2d05A1 TRP 136 HA 0.24 0.02 0.44 -0.75 4.62 4.57 2d05A1 TRP 136 HB2 -0.12 -0.05 0.10 -0.04 3.23 3.12 2d05A1 TRP 136 HB3 -0.03 0.25 0.17 -0.04 3.23 3.58 2d05A1 TRP 136 HD1 -0.06 0.12 -0.22 -0.04 7.22 7.02 2d05A1 TRP 136 HE1 -0.00 0.59 0.00 -0.04 10.20 10.75 2d05A1 TRP 136 HE3 -0.67 -0.05 -0.02 -0.04 7.59 6.81 2d05A1 TRP 136 HZ2 -0.21 0.05 -0.06 -0.04 7.44 7.18 2d05A1 TRP 136 HZ3 -0.52 -0.06 -0.12 -0.04 7.13 6.39 2d05A1 TRP 136 HH2 -0.80 -0.05 -0.12 -0.04 7.19 6.18 2d05A1 ARG 137 H 0.13 0.59 -0.09 -0.55 8.46 8.54 2d05A1 ARG 137 HA -0.09 0.05 0.42 -0.75 4.34 3.96 2d05A1 ARG 137 HB2 0.01 0.01 0.03 -0.04 1.90 1.92 2d05A1 ARG 137 HB3 0.05 -0.07 -0.08 -0.04 1.80 1.66 2d05A1 ARG 137 HG2 -1.41 -0.01 0.03 -0.04 1.67 0.24 2d05A1 ARG 137 HG3 -0.21 0.18 -0.04 -0.04 1.67 1.55 2d05A1 ARG 137 HD2 -0.10 -0.09 -0.15 -0.04 3.22 2.83 2d05A1 ARG 137 HD3 -0.23 0.01 -0.12 -0.04 3.22 2.83 2d05A1 LYS 138 H 0.10 0.50 -0.29 -0.55 8.42 8.18 2d05A1 LYS 138 HA 0.14 -0.04 0.45 -0.75 4.32 4.12 2d05A1 LYS 138 HB2 0.05 -0.06 0.10 -0.04 1.87 1.91 2d05A1 LYS 138 HB3 0.04 0.14 0.17 -0.04 1.79 2.11 2d05A1 LYS 138 HG2 -0.09 0.02 -0.29 -0.04 1.46 1.06 2d05A1 LYS 138 HG3 -0.09 -0.08 -0.04 -0.04 1.46 1.20 2d05A1 LYS 138 HD2 -0.02 -0.08 -0.04 -0.04 1.69 1.51 2d05A1 LYS 138 HD3 -0.02 0.06 0.00 -0.04 1.68 1.69 2d05A1 LYS 138 HE2 -0.06 0.04 -0.04 -0.04 2.99 2.90 2d05A1 LYS 138 HE3 -0.11 0.03 -0.07 -0.04 2.99 2.80 2d05A1 ALA 139 H 0.04 0.62 -0.14 -0.55 8.40 8.37 2d05A1 ALA 139 HA -0.04 -0.01 0.32 -0.75 4.34 3.86 2d05A1 ALA 139 HB3 -0.01 0.06 -0.01 -0.04 1.41 1.41 2d05A1 MET 140 H -0.23 0.64 -0.22 -0.55 8.47 8.11 2d05A1 MET 140 HA -0.23 -0.02 0.38 -0.75 4.52 3.89 2d05A1 MET 140 HB2 -0.56 0.10 0.12 -0.04 2.15 1.77 2d05A1 MET 140 HB3 -0.01 0.15 0.20 -0.04 2.03 2.34 2d05A1 MET 140 HG2 0.02 0.04 0.03 -0.04 2.63 2.68 2d05A1 MET 140 HG3 -0.20 -0.05 -0.15 -0.04 2.56 2.12 2d05A1 MET 140 HE3 -0.35 0.04 0.07 -0.04 2.10 1.83 2d05A1 TRP 141 H 0.25 0.55 -0.13 -0.55 7.97 8.09 2d05A1 TRP 141 HA 0.20 0.02 0.48 -0.75 4.62 4.56 2d05A1 TRP 141 HB2 0.07 0.11 0.16 -0.04 3.23 3.53 2d05A1 TRP 141 HB3 0.06 -0.05 -0.02 -0.04 3.23 3.18 2d05A1 TRP 141 HD1 0.37 0.19 0.03 -0.04 7.22 7.77 2d05A1 TRP 141 HE1 0.69 0.09 -0.01 -0.04 10.20 10.93 2d05A1 TRP 141 HE3 -0.32 -0.04 -0.00 -0.04 7.59 7.18 2d05A1 TRP 141 HZ2 -0.17 0.04 -0.08 -0.04 7.44 7.19 2d05A1 TRP 141 HZ3 -1.16 -0.01 -0.06 -0.04 7.13 5.86 2d05A1 TRP 141 HH2 0.06 0.03 -0.06 -0.04 7.19 7.18 2d05A1 GLU 142 H 0.02 0.65 -0.11 -0.55 8.60 8.62 2d05A1 GLU 142 HA -0.16 0.02 0.43 -0.75 4.29 3.83 2d05A1 GLU 142 HB2 -0.34 0.07 0.10 -0.04 2.09 1.87 2d05A1 GLU 142 HB3 -0.10 0.07 0.15 -0.04 1.99 2.07 2d05A1 GLU 142 HG2 -0.05 -0.01 -0.07 -0.04 2.34 2.17 2d05A1 GLU 142 HG3 -0.31 -0.03 0.05 -0.04 2.34 2.00 2d05A1 THR 143 H 0.01 0.56 -0.20 -0.55 8.28 8.10 2d05A1 THR 143 HA 0.02 0.01 0.30 -0.75 4.39 3.97 2d05A1 THR 143 HB 0.13 0.10 0.14 -0.04 4.32 4.64 2d05A1 THR 143 HG23 0.14 -0.03 -0.09 -0.04 1.22 1.19 2d05A1 PHE 144 H -0.08 0.59 -0.04 -0.55 8.34 8.26 2d05A1 PHE 144 HA -1.37 0.01 0.40 -0.75 4.62 2.90 2d05A1 PHE 144 HB2 -0.56 0.18 0.17 -0.04 3.15 2.90 2d05A1 PHE 144 HB3 -0.25 0.08 0.12 -0.04 3.06 2.98 2d05A1 PHE 144 HD2 -0.86 -0.06 0.05 -0.04 7.28 6.37 2d05A1 PHE 144 HE2 -0.09 0.02 -0.06 -0.04 7.38 7.21 2d05A1 PHE 144 HZ 0.07 0.05 -0.10 -0.04 7.32 7.30 2d05A1 TYR 145 H 0.22 0.58 -0.37 -0.55 8.29 8.17 2d05A1 TYR 145 HA -0.03 -0.16 0.48 -0.75 4.56 4.10 2d05A1 TYR 145 HB2 0.25 0.05 0.10 -0.04 3.06 3.42 2d05A1 TYR 145 HB3 0.26 0.23 0.20 -0.04 2.98 3.63 2d05A1 TYR 145 HD2 0.09 0.02 -0.11 -0.04 7.15 7.11 2d05A1 TYR 145 HE2 -0.00 0.07 -0.10 -0.04 6.85 6.77 2d05A1 ASN 146 H 0.15 0.57 0.01 -0.55 8.53 8.71 2d05A1 ASN 146 HA -0.05 -0.00 0.42 -0.75 4.76 4.37 2d05A1 ASN 146 HB2 0.03 0.04 0.15 -0.04 2.88 3.06 2d05A1 ASN 146 HB3 0.01 -0.03 0.02 -0.04 2.79 2.76 2d05A1 ASN 146 HD21 0.11 -0.05 -0.04 -0.04 7.03 7.01 2d05A1 ASN 146 HD22 0.07 -0.03 -0.08 -0.04 7.74 7.66 2d05A1 VAL 147 H -0.17 0.58 -0.15 -0.55 8.24 7.95 2d05A1 VAL 147 HA -0.24 0.06 0.53 -0.75 4.13 3.74 2d05A1 VAL 147 HB -0.56 0.02 0.14 -0.04 2.12 1.68 2d05A1 VAL 147 HG13 -0.94 -0.01 -0.05 -0.04 0.97 -0.08 2d05A1 VAL 147 HG23 -0.09 0.02 0.02 -0.04 0.95 0.85 2d05A1 TYR 148 H -0.08 0.54 0.10 -0.55 8.29 8.30 2d05A1 TYR 148 HA 0.02 0.21 1.16 -0.75 4.56 5.20 2d05A1 TYR 148 HB2 0.21 0.03 0.07 -0.04 3.06 3.32 2d05A1 TYR 148 HB3 0.13 -0.04 -0.05 -0.04 2.98 2.97 2d05A1 TYR 148 HD2 0.08 -0.06 -0.05 -0.04 7.15 7.08 2d05A1 TYR 148 HE2 0.15 0.03 0.01 -0.04 6.85 7.00 2d05A1 ILE 149 H -0.03 0.42 0.25 -0.55 8.25 8.34 2d05A1 ILE 149 HA 0.07 0.06 0.49 -0.75 4.18 4.04 2d05A1 ILE 149 HB 0.01 -0.01 0.10 -0.04 1.89 1.95 2d05A1 ILE 149 HG12 -0.23 0.00 -0.06 -0.04 1.49 1.16 2d05A1 ILE 149 HG13 -0.48 0.10 -0.10 -0.04 1.21 0.69 2d05A1 ILE 149 HG23 0.27 0.00 -0.09 -0.04 0.93 1.07 2d05A1 ILE 149 HD13 -0.88 0.00 -0.12 -0.04 0.88 -0.16 2d05A1 ARG 150 H -0.51 0.75 0.08 -0.55 8.46 8.22 2d05A1 ARG 150 HA -0.41 0.06 0.34 -0.75 4.34 3.57 2d05A1 ARG 150 HB2 -1.27 0.05 0.02 -0.04 1.90 0.67 2d05A1 ARG 150 HB3 -0.30 0.04 0.03 -0.04 1.80 1.53 2d05A1 ARG 150 HG2 -0.14 -0.03 0.05 -0.04 1.67 1.51 2d05A1 ARG 150 HG3 -0.16 -0.01 -0.01 -0.04 1.67 1.45 2d05A1 ARG 150 HD2 -0.03 -0.03 -0.13 -0.04 3.22 2.99 2d05A1 ARG 150 HD3 0.01 -0.01 -0.04 -0.04 3.22 3.14 2d05A1 TYR 151 H 0.03 0.20 -0.38 -0.55 8.29 7.59 2d05A1 TYR 151 HA -0.06 0.04 0.32 -0.75 4.56 4.11 2d05A1 TYR 151 HB2 -0.05 0.04 0.03 -0.04 3.06 3.04 2d05A1 TYR 151 HB3 -0.01 0.12 0.07 -0.04 2.98 3.12 2d05A1 TYR 151 HD2 -0.03 0.02 -0.07 -0.04 7.15 7.03 2d05A1 TYR 151 HE2 -0.05 0.01 -0.05 -0.04 6.85 6.72 2d05A1 SER 152 H 0.11 0.39 -0.15 -0.55 8.46 8.27 2d05A1 SER 152 HA 0.01 0.01 0.35 -0.75 4.49 4.10 2d05A1 SER 152 HB2 0.11 0.10 0.15 -0.04 3.95 4.27 2d05A1 SER 152 HB3 0.17 -0.05 -0.07 -0.04 3.93 3.94 2d05A1 VAL 153 H 0.03 0.74 -0.04 -0.55 8.24 8.42 2d05A1 VAL 153 HA 0.03 -0.02 0.56 -0.75 4.13 3.95 2d05A1 VAL 153 HB 0.04 0.10 0.16 -0.04 2.12 2.37 2d05A1 VAL 153 HG13 0.03 0.03 -0.00 -0.04 0.97 0.99 2d05A1 VAL 153 HG23 0.14 0.01 0.07 -0.04 0.95 1.13 2d05A1 GLU 154 H -0.09 0.59 -0.16 -0.55 8.60 8.40 2d05A1 GLU 154 HA -0.07 -0.00 0.41 -0.75 4.29 3.87 2d05A1 GLU 154 HB2 -0.21 0.11 0.16 -0.04 2.09 2.10 2d05A1 GLU 154 HB3 -0.12 -0.07 0.03 -0.04 1.99 1.79 2d05A1 GLU 154 HG2 -0.04 -0.06 0.03 -0.04 2.34 2.23 2d05A1 GLU 154 HG3 -0.06 0.28 0.11 -0.04 2.34 2.63 2d05A1 GLN 155 H -0.24 0.55 -0.13 -0.55 8.47 8.10 2d05A1 GLN 155 HA -0.21 0.02 0.39 -0.75 4.36 3.81 2d05A1 GLN 155 HB2 -0.25 0.09 0.12 -0.04 2.15 2.06 2d05A1 GLN 155 HB3 -0.31 -0.03 -0.00 -0.04 2.02 1.63 2d05A1 GLN 155 HG2 -0.94 0.24 0.04 -0.04 2.40 1.70 2d05A1 GLN 155 HG3 -0.59 -0.05 -0.06 -0.04 2.39 1.65 2d05A1 GLN 155 HE21 -0.20 -0.02 -0.05 -0.04 6.97 6.66 2d05A1 GLN 155 HE22 -0.90 -0.00 -0.04 -0.04 7.69 6.70 2d05A1 ALA 156 H 0.06 0.45 -0.25 -0.55 8.40 8.12 2d05A1 ALA 156 HA 0.14 -0.03 0.42 -0.75 4.34 4.11 2d05A1 ALA 156 HB3 -0.02 0.02 0.05 -0.04 1.41 1.42 2d05A1 ARG 157 H -0.05 0.66 0.03 -0.55 8.46 8.55 2d05A1 ARG 157 HA -0.09 0.01 0.36 -0.75 4.34 3.87 2d05A1 ARG 157 HB2 -0.06 0.09 0.18 -0.04 1.90 2.07 2d05A1 ARG 157 HB3 -0.07 -0.06 -0.02 -0.04 1.80 1.61 2d05A1 ARG 157 HG2 -0.04 -0.07 0.02 -0.04 1.67 1.53 2d05A1 ARG 157 HG3 -0.03 0.10 0.08 -0.04 1.67 1.77 2d05A1 ARG 157 HD2 -0.02 0.00 -0.04 -0.04 3.22 3.11 2d05A1 ARG 157 HD3 -0.03 -0.06 -0.03 -0.04 3.22 3.06 2d05A1 GLN 158 H -0.12 0.62 -0.20 -0.55 8.47 8.22 2d05A1 GLN 158 HA -0.12 -0.02 0.40 -0.75 4.36 3.86 2d05A1 GLN 158 HB2 -0.12 -0.01 0.12 -0.04 2.15 2.10 2d05A1 GLN 158 HB3 -0.15 0.16 0.12 -0.04 2.02 2.11 2d05A1 GLN 158 HG2 -0.14 0.02 -0.19 -0.04 2.40 2.05 2d05A1 GLN 158 HG3 -0.10 -0.07 0.05 -0.04 2.39 2.22 2d05A1 GLN 158 HE21 -0.09 -0.05 -0.04 -0.04 6.97 6.74 2d05A1 GLN 158 HE22 -0.10 0.01 -0.02 -0.04 7.69 7.54 2d05A1 ARG 159 H -0.29 0.36 -0.43 -0.55 8.46 7.55 2d05A1 ARG 159 HA -0.42 0.12 0.72 -0.75 4.34 4.01 2d05A1 ARG 159 HB2 -0.82 0.05 0.08 -0.04 1.90 1.17 2d05A1 ARG 159 HB3 -1.28 -0.06 0.09 -0.04 1.80 0.51 2d05A1 ARG 159 HG2 -0.36 -0.02 -0.05 -0.04 1.67 1.20 2d05A1 ARG 159 HG3 -0.29 0.03 -0.08 -0.04 1.67 1.28 2d05A1 ARG 159 HD2 -0.28 0.02 -0.03 -0.04 3.22 2.89 2d05A1 ARG 159 HD3 -0.84 -0.05 -0.04 -0.04 3.22 2.25 2d05A1 GLY 160 H -0.28 0.45 -0.29 -0.55 8.43 7.77 2d05A1 GLY 160 HA2 -0.15 0.03 0.28 -0.51 4.01 3.67 2d05A1 GLY 160 HA3 -0.22 0.02 0.47 -0.51 4.01 3.77 2d05A1 PHE 161 H -0.21 0.67 -0.03 -0.55 8.34 8.22 2d05A1 PHE 161 HA -0.11 0.03 0.78 -0.75 4.62 4.56 2d05A1 PHE 161 HB2 -0.19 0.08 0.09 -0.04 3.15 3.08 2d05A1 PHE 161 HB3 -0.20 -0.18 0.02 -0.04 3.06 2.66 2d05A1 PHE 161 HD2 -0.23 0.04 -0.16 -0.04 7.28 6.89 2d05A1 PHE 161 HE2 -0.70 0.05 -0.16 -0.04 7.38 6.54 2d05A1 PHE 161 HZ -0.18 0.19 -0.21 -0.04 7.32 7.07 2d05A1 THR 162 H 0.02 0.02 0.13 -0.55 8.28 7.90 2d05A1 THR 162 HA -0.04 0.27 0.77 -0.75 4.39 4.64 2d05A1 THR 162 HB -0.04 0.05 0.13 -0.04 4.32 4.43 2d05A1 THR 162 HG23 -0.03 0.02 -0.31 -0.04 1.22 0.86 2d05A1 SER 163 H -0.08 -0.01 0.09 -0.55 8.46 7.92 2d05A1 SER 163 HA -0.08 0.18 0.51 -0.75 4.49 4.35 2d05A1 SER 163 HB2 -0.07 0.09 0.06 -0.04 3.95 3.99 2d05A1 SER 163 HB3 -0.08 0.03 0.11 -0.04 3.93 3.94 2d05A1 ALA 164 H -0.10 0.23 0.22 -0.55 8.40 8.21 2d05A1 ALA 164 HA -0.22 0.11 0.33 -0.75 4.34 3.80 2d05A1 ALA 164 HB3 -0.14 0.02 -0.02 -0.04 1.41 1.23 2d05A1 VAL 165 H -0.05 0.34 -0.05 -0.55 8.24 7.93 2d05A1 VAL 165 HA 0.25 0.11 0.41 -0.75 4.13 4.15 2d05A1 VAL 165 HB 0.01 -0.08 0.05 -0.04 2.12 2.06 2d05A1 VAL 165 HG13 0.25 0.02 -0.20 -0.04 0.97 1.00 2d05A1 VAL 165 HG23 0.08 0.02 -0.10 -0.04 0.95 0.91 2d05A1 THR 166 H -0.17 0.04 -0.32 -0.55 8.28 7.28 2d05A1 THR 166 HA -0.44 0.08 0.28 -0.75 4.39 3.57 2d05A1 THR 166 HB -0.29 0.03 0.01 -0.04 4.32 4.03 2d05A1 THR 166 HG23 -0.78 0.03 -0.17 -0.04 1.22 0.27 2d05A1 ILE 167 H -0.26 0.50 -0.20 -0.55 8.25 7.74 2d05A1 ILE 167 HA -0.21 0.07 0.28 -0.75 4.18 3.57 2d05A1 ILE 167 HB -0.24 0.03 0.03 -0.04 1.89 1.67 2d05A1 ILE 167 HG12 -0.06 0.00 -0.05 -0.04 1.49 1.34 2d05A1 ILE 167 HG13 -0.16 -0.06 -0.11 -0.04 1.21 0.84 2d05A1 ILE 167 HG23 -0.07 -0.01 -0.16 -0.04 0.93 0.64 2d05A1 ILE 167 HD13 -0.07 0.01 -0.08 -0.04 0.88 0.70 2d05A1 GLY 168 H -0.23 0.55 -0.24 -0.55 8.43 7.96 2d05A1 GLY 168 HA2 -0.18 -0.01 0.28 -0.51 4.01 3.58 2d05A1 GLY 168 HA3 -0.12 0.07 0.29 -0.51 4.01 3.73 2d05A1 SER 169 H -0.63 0.61 -0.20 -0.55 8.46 7.70 2d05A1 SER 169 HA -1.81 0.03 0.41 -0.75 4.49 2.37 2d05A1 SER 169 HB2 -0.28 -0.01 0.08 -0.04 3.95 3.70 2d05A1 SER 169 HB3 -0.28 0.08 0.10 -0.04 3.93 3.80 2d05A1 PHE 170 H -0.24 0.60 -0.14 -0.55 8.34 8.00 2d05A1 PHE 170 HA -0.11 0.03 0.44 -0.75 4.62 4.22 2d05A1 PHE 170 HB2 -0.15 0.11 0.13 -0.04 3.15 3.20 2d05A1 PHE 170 HB3 -0.09 -0.08 0.00 -0.04 3.06 2.85 2d05A1 PHE 170 HD2 -0.34 0.05 -0.08 -0.04 7.28 6.87 2d05A1 PHE 170 HE2 -0.72 -0.00 -0.20 -0.04 7.38 6.42 2d05A1 PHE 170 HZ -0.02 0.02 -0.11 -0.04 7.32 7.17 2d05A1 VAL 171 H -0.03 0.58 -0.19 -0.55 8.24 8.05 2d05A1 VAL 171 HA 0.10 -0.01 0.37 -0.75 4.13 3.84 2d05A1 VAL 171 HB 0.05 0.13 0.11 -0.04 2.12 2.37 2d05A1 VAL 171 HG13 0.21 -0.02 -0.18 -0.04 0.97 0.93 2d05A1 VAL 171 HG23 0.18 0.04 -0.03 -0.04 0.95 1.10 2d05A1 ASP 172 H -0.20 0.62 -0.12 -0.55 8.40 8.16 2d05A1 ASP 172 HA 0.05 0.01 0.40 -0.75 4.63 4.34 2d05A1 ASP 172 HB2 -0.05 0.03 0.08 -0.04 2.71 2.73 2d05A1 ASP 172 HB3 -0.28 0.08 0.07 -0.04 2.70 2.54 2d05A1 THR 173 H -0.03 0.41 -0.36 -0.55 8.28 7.76 2d05A1 THR 173 HA -0.03 0.05 0.38 -0.75 4.39 4.04 2d05A1 THR 173 HB 0.13 0.10 0.16 -0.04 4.32 4.68 2d05A1 THR 173 HG23 0.05 -0.02 -0.13 -0.04 1.22 1.08 2d05A1 ALA 174 H 0.01 0.58 -0.06 -0.55 8.40 8.38 2d05A1 ALA 174 HA -0.01 0.10 0.06 -0.75 4.34 3.74 2d05A1 ALA 174 HB3 0.12 -0.01 0.06 -0.04 1.41 1.54 2d05A1 LEU 175 H -0.23 0.68 -0.11 -0.55 8.37 8.17 2d05A1 LEU 175 HA -1.47 -0.02 0.41 -0.75 4.35 2.52 2d05A1 LEU 175 HB2 -0.21 -0.06 0.09 -0.04 1.64 1.42 2d05A1 LEU 175 HB3 -0.11 0.08 0.10 -0.04 1.64 1.67 2d05A1 LEU 175 HG -0.15 0.02 0.03 -0.04 1.64 1.50 2d05A1 LEU 175 HD13 0.04 -0.02 -0.03 -0.04 0.93 0.88 2d05A1 LEU 175 HD23 -0.04 0.01 -0.27 -0.04 0.89 0.56 2d05A1 ASN 176 H -0.11 0.40 -0.29 -0.55 8.53 7.99 2d05A1 ASN 176 HA -0.02 0.09 0.51 -0.75 4.76 4.59 2d05A1 ASN 176 HB2 0.00 -0.01 0.10 -0.04 2.88 2.93 2d05A1 ASN 176 HB3 -0.06 0.01 0.14 -0.04 2.79 2.84 2d05A1 ASN 176 HD21 0.11 0.39 0.11 -0.04 7.03 7.59 2d05A1 ASN 176 HD22 0.06 -0.05 0.14 -0.04 7.74 7.85 2d05A1 GLN 177 H -0.14 0.61 0.03 -0.55 8.47 8.42 2d05A1 GLN 177 HA -0.34 0.15 0.88 -0.75 4.36 4.29 2d05A1 GLN 177 HB2 -0.25 0.07 0.08 -0.04 2.15 2.01 2d05A1 GLN 177 HB3 -0.53 0.02 0.07 -0.04 2.02 1.54 2d05A1 GLN 177 HG2 -1.40 -0.02 -0.09 -0.04 2.40 0.85 2d05A1 GLN 177 HG3 -0.36 -0.09 -0.31 -0.04 2.39 1.60 2d05A1 GLN 177 HE21 -0.19 -0.13 -0.04 -0.04 6.97 6.57 2d05A1 GLN 177 HE22 -0.31 0.49 0.08 -0.04 7.69 7.90 2d05A1 GLY 178 H -0.07 0.44 -0.09 -0.55 8.43 8.16 2d05A1 GLY 178 HA2 0.11 0.03 0.42 -0.51 4.01 4.06 2d05A1 GLY 178 HA3 0.02 0.11 0.77 -0.51 4.01 4.40 2d05A1 ALA 179 H 0.08 0.17 0.21 -0.55 8.40 8.31 2d05A1 ALA 179 HA 0.02 0.05 0.66 -0.75 4.34 4.31 2d05A1 ALA 179 HB3 -0.19 0.02 0.17 -0.04 1.41 1.36 2d05A1 THR 180 H -0.14 0.21 0.15 -0.55 8.28 7.95 2d05A1 THR 180 HA -0.10 0.13 0.93 -0.75 4.39 4.59 2d05A1 THR 180 HB -0.11 -0.01 0.04 -0.04 4.32 4.20 2d05A1 THR 180 HG23 -0.51 0.00 -0.15 -0.04 1.22 0.53 2d05A1 GLY 181 H -0.03 0.22 0.11 -0.55 8.43 8.18 2d05A1 GLY 181 HA2 -0.02 0.02 0.36 -0.51 4.01 3.86 2d05A1 GLY 181 HA3 -0.02 0.17 0.92 -0.51 4.01 4.58 2d05A1 GLY 182 H 0.01 0.17 0.06 -0.55 8.43 8.12 2d05A1 GLY 182 HA2 0.01 0.09 0.28 -0.51 4.01 3.88 2d05A1 GLY 182 HA3 0.02 0.04 0.34 -0.51 4.01 3.91 2d05A1 SER 183 H 0.02 0.15 0.14 -0.55 8.46 8.22 2d05A1 SER 183 HA 0.01 0.10 0.37 -0.75 4.49 4.22 2d05A1 SER 183 HB2 0.01 0.09 0.07 -0.04 3.95 4.07 2d05A1 SER 183 HB3 0.01 -0.01 0.11 -0.04 3.93 3.99 2d05A1 ASP 184 H 0.02 -0.05 -0.46 -0.55 8.40 7.37 2d05A1 ASP 184 HA -0.02 0.21 0.68 -0.75 4.63 4.74 2d05A1 ASP 184 HB2 0.10 -0.05 -0.04 -0.04 2.71 2.68 2d05A1 ASP 184 HB3 -0.03 0.09 0.04 -0.04 2.70 2.76 2d05A1 THR 185 H -0.01 0.21 -0.39 -0.55 8.28 7.54 2d05A1 THR 185 HA -0.08 0.35 0.31 -0.75 4.39 4.22 2d05A1 THR 185 HB -0.03 0.07 -0.59 -0.04 4.32 3.74 2d05A1 THR 185 HG23 -0.01 0.05 -0.32 -0.04 1.22 0.89 2d05A1 LEU 186 H 0.00 0.67 0.13 -0.55 8.37 8.62 2d05A1 LEU 186 HA 0.08 0.03 0.34 -0.75 4.35 4.05 2d05A1 LEU 186 HB2 0.05 0.01 0.05 -0.04 1.64 1.71 2d05A1 LEU 186 HB3 0.11 0.10 0.27 -0.04 1.64 2.08 2d05A1 LEU 186 HG -0.08 -0.01 -0.24 -0.04 1.64 1.28 2d05A1 LEU 186 HD13 -0.38 -0.01 0.04 -0.04 0.93 0.53 2d05A1 LEU 186 HD23 0.03 0.02 -0.03 -0.04 0.89 0.86 2d05A1 GLN 187 H 0.06 0.56 -0.01 -0.55 8.47 8.53 2d05A1 GLN 187 HA 0.09 0.03 0.33 -0.75 4.36 4.06 2d05A1 GLN 187 HB2 0.12 0.07 0.18 -0.04 2.15 2.47 2d05A1 GLN 187 HB3 0.02 -0.09 0.12 -0.04 2.02 2.03 2d05A1 GLN 187 HG2 0.04 0.05 -0.26 -0.04 2.40 2.19 2d05A1 GLN 187 HG3 0.10 0.00 0.02 -0.04 2.39 2.47 2d05A1 GLN 187 HE21 0.03 -0.02 0.00 -0.04 6.97 6.94 2d05A1 GLN 187 HE22 0.07 0.03 -0.01 -0.04 7.69 7.74 2d05A1 GLY 188 H 0.02 0.09 -0.47 -0.55 8.43 7.52 2d05A1 GLY 188 HA2 0.02 -0.02 0.32 -0.51 4.01 3.82 2d05A1 GLY 188 HA3 0.01 0.07 0.20 -0.51 4.01 3.77 2d05A1 LEU 189 H 0.02 0.64 -0.22 -0.55 8.37 8.26 2d05A1 LEU 189 HA -0.01 0.05 0.40 -0.75 4.35 4.04 2d05A1 LEU 189 HB2 0.10 0.07 0.05 -0.04 1.64 1.83 2d05A1 LEU 189 HB3 -0.08 -0.08 -0.10 -0.04 1.64 1.34 2d05A1 LEU 189 HG -0.06 0.10 -0.14 -0.04 1.64 1.50 2d05A1 LEU 189 HD13 -0.18 -0.02 -0.16 -0.04 0.93 0.53 2d05A1 LEU 189 HD23 -0.14 -0.03 -0.18 -0.04 0.89 0.49 2d05A1 LEU 190 H 0.10 0.59 -0.19 -0.55 8.37 8.31 2d05A1 LEU 190 HA 0.21 -0.02 0.36 -0.75 4.35 4.16 2d05A1 LEU 190 HB2 0.01 0.14 0.08 -0.04 1.64 1.83 2d05A1 LEU 190 HB3 0.05 -0.04 -0.05 -0.04 1.64 1.57 2d05A1 LEU 190 HG -0.14 0.17 0.03 -0.04 1.64 1.66 2d05A1 LEU 190 HD13 -0.37 -0.03 -0.10 -0.04 0.93 0.40 2d05A1 LEU 190 HD23 -0.33 -0.02 -0.05 -0.04 0.89 0.44 2d05A1 ALA 191 H 0.05 0.41 -0.29 -0.55 8.40 8.02 2d05A1 ALA 191 HA 0.05 0.00 0.43 -0.75 4.34 4.07 2d05A1 ALA 191 HB3 0.03 0.03 0.10 -0.04 1.41 1.53 2d05A1 ARG 192 H 0.04 0.42 -0.56 -0.55 8.46 7.80 2d05A1 ARG 192 HA 0.02 0.16 1.05 -0.75 4.34 4.82 2d05A1 ARG 192 HB2 -0.00 -0.09 0.20 -0.04 1.90 1.96 2d05A1 ARG 192 HB3 0.01 -0.04 -0.05 -0.04 1.80 1.68 2d05A1 ARG 192 HG2 0.00 0.22 0.11 -0.04 1.67 1.96 2d05A1 ARG 192 HG3 -0.02 -0.00 -0.01 -0.04 1.67 1.59 2d05A1 ARG 192 HD2 -0.01 -0.08 0.02 -0.04 3.22 3.11 2d05A1 ARG 192 HD3 -0.00 -0.05 -0.01 -0.04 3.22 3.12 2d05A1 SER 193 H 0.06 0.46 -0.16 -0.55 8.46 8.27 2d05A1 SER 193 HA -0.08 0.13 0.67 -0.75 4.49 4.45 2d05A1 SER 193 HB2 -0.08 0.11 0.07 -0.04 3.95 4.01 2d05A1 SER 193 HB3 -0.50 -0.12 0.08 -0.04 3.93 3.35 2d05A1 GLY 194 H 0.05 0.13 -0.30 -0.55 8.43 7.77 2d05A1 GLY 194 HA2 0.06 0.02 0.26 -0.51 4.01 3.84 2d05A1 GLY 194 HA3 0.06 0.04 0.53 -0.51 4.01 4.13 2d05A1 SER 195 H 0.12 0.05 0.11 -0.55 8.46 8.19 2d05A1 SER 195 HA 0.18 0.32 0.87 -0.75 4.49 5.11 2d05A1 SER 195 HB2 0.04 0.03 0.14 -0.04 3.95 4.11 2d05A1 SER 195 HB3 0.06 0.06 -0.17 -0.04 3.93 3.85 2d05A1 SER 196 H 0.27 0.14 0.00 -0.55 8.46 8.33 2d05A1 SER 196 HA 0.11 0.02 0.45 -0.75 4.49 4.32 2d05A1 SER 196 HB2 0.13 0.03 0.09 -0.04 3.95 4.16 2d05A1 SER 196 HB3 0.28 0.07 0.07 -0.04 3.93 4.31 2d05A1 SER 197 H 0.09 0.09 0.20 -0.55 8.46 8.29 2d05A1 SER 197 HA 0.11 0.32 0.71 -0.75 4.49 4.87 2d05A1 SER 197 HB2 0.02 0.04 0.17 -0.04 3.95 4.15 2d05A1 SER 197 HB3 0.01 0.09 0.10 -0.04 3.93 4.09 2d05A1 ASN 198 H 0.13 0.01 -0.20 -0.55 8.53 7.93 2d05A1 ASN 198 HA 0.06 0.16 0.72 -0.75 4.76 4.94 2d05A1 ASN 198 HB2 0.05 0.09 0.10 -0.04 2.88 3.08 2d05A1 ASN 198 HB3 0.05 -0.06 0.17 -0.04 2.79 2.90 2d05A1 ASN 198 HD21 0.00 0.04 0.04 -0.04 7.03 7.07 2d05A1 ASN 198 HD22 0.02 0.07 0.05 -0.04 7.74 7.83 2d05A1 GLU 199 H -0.05 0.25 0.13 -0.55 8.60 8.38 2d05A1 GLU 199 HA -1.12 0.18 0.31 -0.75 4.29 2.91 2d05A1 GLU 199 HB2 -0.32 0.16 0.13 -0.04 2.09 2.02 2d05A1 GLU 199 HB3 -0.24 -0.05 0.08 -0.04 1.99 1.74 2d05A1 GLU 199 HG2 -0.45 -0.04 -0.10 -0.04 2.34 1.71 2d05A1 GLU 199 HG3 -1.37 0.10 0.04 -0.04 2.34 1.06 2d05A1 LYS 200 H -0.10 0.09 -0.15 -0.55 8.42 7.71 2d05A1 LYS 200 HA -0.08 0.10 0.43 -0.75 4.32 4.01 2d05A1 LYS 200 HB2 -0.05 0.02 0.08 -0.04 1.87 1.88 2d05A1 LYS 200 HB3 -0.03 -0.05 0.07 -0.04 1.79 1.74 2d05A1 LYS 200 HG2 -0.01 0.01 -0.30 -0.04 1.46 1.12 2d05A1 LYS 200 HG3 -0.01 0.03 -0.04 -0.04 1.46 1.39 2d05A1 LYS 200 HD2 -0.01 0.02 0.01 -0.04 1.69 1.67 2d05A1 LYS 200 HD3 -0.01 -0.04 -0.02 -0.04 1.68 1.57 2d05A1 LYS 200 HE2 0.00 -0.04 -0.06 -0.04 2.99 2.85 2d05A1 LYS 200 HE3 0.00 0.09 -0.07 -0.04 2.99 2.97 2d05A1 THR 201 H -0.01 0.04 -0.20 -0.55 8.28 7.56 2d05A1 THR 201 HA 0.00 0.08 0.38 -0.75 4.39 4.11 2d05A1 THR 201 HB 0.06 0.06 0.10 -0.04 4.32 4.50 2d05A1 THR 201 HG23 0.03 0.02 -0.04 -0.04 1.22 1.18 2d05A1 PHE 202 H 0.11 0.52 -0.18 -0.55 8.34 8.23 2d05A1 PHE 202 HA 0.03 0.08 0.40 -0.75 4.62 4.37 2d05A1 PHE 202 HB2 0.11 0.10 0.02 -0.04 3.15 3.34 2d05A1 PHE 202 HB3 -0.24 0.01 0.07 -0.04 3.06 2.86 2d05A1 PHE 202 HD2 0.05 -0.10 -0.19 -0.04 7.28 7.00 2d05A1 PHE 202 HE2 0.13 0.11 -0.14 -0.04 7.38 7.44 2d05A1 PHE 202 HZ 0.07 0.03 -0.04 -0.04 7.32 7.34 2d05A1 MET 203 H -0.03 0.49 -0.18 -0.55 8.47 8.20 2d05A1 MET 203 HA -0.11 0.05 0.32 -0.75 4.52 4.02 2d05A1 MET 203 HB2 -0.11 0.06 0.09 -0.04 2.15 2.15 2d05A1 MET 203 HB3 -0.24 -0.04 -0.03 -0.04 2.03 1.68 2d05A1 MET 203 HG2 -0.24 0.20 0.08 -0.04 2.63 2.63 2d05A1 MET 203 HG3 -0.22 -0.14 -0.05 -0.04 2.56 2.12 2d05A1 MET 203 HE3 -0.29 -0.01 -0.06 -0.04 2.10 1.70 2d05A1 LYS 204 H -0.05 0.41 -0.31 -0.55 8.42 7.92 2d05A1 LYS 204 HA 0.05 0.01 0.49 -0.75 4.32 4.11 2d05A1 LYS 204 HB2 -0.02 0.14 0.18 -0.04 1.87 2.13 2d05A1 LYS 204 HB3 0.00 -0.04 -0.00 -0.04 1.79 1.71 2d05A1 LYS 204 HG2 0.01 0.19 0.05 -0.04 1.46 1.67 2d05A1 LYS 204 HG3 0.01 -0.07 -0.04 -0.04 1.46 1.32 2d05A1 LYS 204 HD2 0.09 -0.02 0.03 -0.04 1.69 1.74 2d05A1 LYS 204 HD3 0.05 -0.02 -0.05 -0.04 1.68 1.62 2d05A1 LYS 204 HE2 0.02 -0.01 -0.02 -0.04 2.99 2.93 2d05A1 LYS 204 HE3 0.02 0.01 -0.00 -0.04 2.99 2.98 2d05A1 ASN 205 H -0.10 0.51 -0.09 -0.55 8.53 8.31 2d05A1 ASN 205 HA -0.06 -0.00 0.48 -0.75 4.76 4.42 2d05A1 ASN 205 HB2 -0.22 0.18 0.25 -0.04 2.88 3.05 2d05A1 ASN 205 HB3 -0.11 0.01 0.10 -0.04 2.79 2.74 2d05A1 ASN 205 HD21 -0.00 -0.14 -0.03 -0.04 7.03 6.82 2d05A1 ASN 205 HD22 -0.03 0.06 0.01 -0.04 7.74 7.74 2d05A1 PHE 206 H -0.19 0.64 -0.01 -0.55 8.34 8.22 2d05A1 PHE 206 HA -0.22 0.06 0.32 -0.75 4.62 4.03 2d05A1 PHE 206 HB2 -0.47 0.05 0.04 -0.04 3.15 2.73 2d05A1 PHE 206 HB3 -0.31 0.01 0.14 -0.04 3.06 2.85 2d05A1 PHE 206 HD2 -0.13 0.03 -0.15 -0.04 7.28 6.99 2d05A1 PHE 206 HE2 0.03 0.02 -0.15 -0.04 7.38 7.24 2d05A1 PHE 206 HZ -0.00 0.01 -0.07 -0.04 7.32 7.21 2d05A1 HIS 207 H -0.12 0.63 -0.16 -0.55 8.41 8.22 2d05A1 HIS 207 HA -0.20 -0.00 0.38 -0.75 4.63 4.05 2d05A1 HIS 207 HB2 0.02 0.11 0.14 -0.04 3.26 3.49 2d05A1 HIS 207 HB3 0.01 -0.06 -0.04 -0.04 3.20 3.07 2d05A1 HIS 207 HD2 0.14 -0.01 -0.06 -0.04 6.97 7.00 2d05A1 HIS 207 HE1 0.18 -0.04 -0.29 -0.04 7.75 7.55 2d05A1 ALA 208 H -0.01 0.46 -0.30 -0.55 8.40 7.99 2d05A1 ALA 208 HA -0.03 -0.02 0.48 -0.75 4.34 4.02 2d05A1 ALA 208 HB3 -0.03 0.04 0.13 -0.04 1.41 1.50 2d05A1 LYS 209 H -0.13 0.60 -0.08 -0.55 8.42 8.26 2d05A1 LYS 209 HA -0.09 -0.01 0.41 -0.75 4.32 3.87 2d05A1 LYS 209 HB2 -0.20 0.11 0.14 -0.04 1.87 1.88 2d05A1 LYS 209 HB3 -0.12 -0.04 0.02 -0.04 1.79 1.61 2d05A1 LYS 209 HG2 -0.09 0.13 0.07 -0.04 1.46 1.54 2d05A1 LYS 209 HG3 -0.07 0.09 -0.11 -0.04 1.46 1.32 2d05A1 LYS 209 HD2 -0.05 -0.02 0.03 -0.04 1.69 1.61 2d05A1 LYS 209 HD3 -0.06 -0.08 -0.01 -0.04 1.68 1.49 2d05A1 LYS 209 HE2 -0.04 -0.06 0.02 -0.04 2.99 2.87 2d05A1 LYS 209 HE3 -0.03 0.23 0.08 -0.04 2.99 3.23 2d05A1 ARG 210 H -0.31 0.57 -0.15 -0.55 8.46 8.02 2d05A1 ARG 210 HA -0.21 0.06 0.38 -0.75 4.34 3.81 2d05A1 ARG 210 HB2 -0.64 0.05 0.04 -0.04 1.90 1.30 2d05A1 ARG 210 HB3 -0.21 0.05 0.08 -0.04 1.80 1.68 2d05A1 ARG 210 HG2 -0.12 -0.08 -0.11 -0.04 1.67 1.31 2d05A1 ARG 210 HG3 -0.21 0.04 -0.00 -0.04 1.67 1.46 2d05A1 ARG 210 HD2 -0.11 -0.01 -0.06 -0.04 3.22 3.00 2d05A1 ARG 210 HD3 -0.05 -0.03 -0.07 -0.04 3.22 3.03 2d05A1 THR 211 H -0.09 0.55 -0.23 -0.55 8.28 7.96 2d05A1 THR 211 HA -0.05 -0.06 0.30 -0.75 4.39 3.83 2d05A1 THR 211 HB -0.05 0.16 0.14 -0.04 4.32 4.53 2d05A1 THR 211 HG23 -0.05 -0.04 -0.01 -0.04 1.22 1.08 2d05A1 LEU 212 H -0.06 0.39 -0.50 -0.55 8.37 7.64 2d05A1 LEU 212 HA -0.02 -0.01 0.35 -0.75 4.35 3.91 2d05A1 LEU 212 HB2 -0.04 0.22 0.12 -0.04 1.64 1.90 2d05A1 LEU 212 HB3 -0.02 -0.09 0.06 -0.04 1.64 1.55 2d05A1 LEU 212 HG -0.05 0.25 0.10 -0.04 1.64 1.91 2d05A1 LEU 212 HD13 -0.03 -0.02 0.02 -0.04 0.93 0.86 2d05A1 LEU 212 HD23 -0.03 -0.04 -0.02 -0.04 0.89 0.76 2d05A1 VAL 213 H -0.04 0.41 -0.18 -0.55 8.24 7.88 2d05A1 VAL 213 HA 0.04 0.19 1.02 -0.75 4.13 4.63 2d05A1 VAL 213 HB 0.11 -0.04 0.07 -0.04 2.12 2.22 2d05A1 VAL 213 HG13 0.01 -0.01 -0.12 -0.04 0.97 0.80 2d05A1 VAL 213 HG23 -0.06 0.05 0.02 -0.04 0.95 0.92 2d05A1 VAL 214 H -0.01 0.48 0.02 -0.55 8.24 8.17 2d05A1 VAL 214 HA 0.06 0.11 0.27 -0.75 4.13 3.81 2d05A1 VAL 214 HB -0.04 0.14 -0.04 -0.04 2.12 2.14 2d05A1 VAL 214 HG13 -0.02 0.01 -0.32 -0.04 0.97 0.59 2d05A1 VAL 214 HG23 0.01 -0.01 -0.05 -0.04 0.95 0.86 2d05A1 ASP 215 H 0.03 0.18 -0.40 -0.55 8.40 7.67 2d05A1 ASP 215 HA 0.05 0.18 0.74 -0.75 4.63 4.84 2d05A1 ASP 215 HB2 0.00 0.09 0.00 -0.04 2.71 2.76 2d05A1 ASP 215 HB3 0.01 0.01 0.13 -0.04 2.70 2.81 2d05A1 THR 216 H 0.12 0.49 -0.35 -0.55 8.28 7.99 2d05A1 THR 216 HA -0.02 -0.01 0.60 -0.75 4.39 4.20 2d05A1 THR 216 HB 0.06 0.09 0.09 -0.04 4.32 4.51 2d05A1 THR 216 HG23 -0.08 0.05 0.07 -0.04 1.22 1.23 2d05A1 ASN 217 H -0.09 0.05 0.19 -0.55 8.53 8.14 2d05A1 ASN 217 HA -0.12 0.09 0.50 -0.75 4.76 4.48 2d05A1 ASN 217 HB2 -0.06 0.01 0.15 -0.04 2.88 2.95 2d05A1 ASN 217 HB3 -0.09 -0.04 0.13 -0.04 2.79 2.75 2d05A1 ASN 217 HD21 -0.03 -0.01 0.02 -0.04 7.03 6.96 2d05A1 ASN 217 HD22 -0.04 0.02 0.03 -0.04 7.74 7.71 2d05A1 PRO 218 HA -0.10 -0.00 0.30 -0.51 4.44 4.13 2d05A1 PRO 218 HB2 -0.03 0.05 0.13 -0.04 2.28 2.38 2d05A1 PRO 218 HB3 -0.08 -0.05 0.07 -0.04 2.02 1.93 2d05A1 PRO 218 HG2 -0.07 0.13 -0.07 -0.04 2.03 1.98 2d05A1 PRO 218 HG3 -0.07 -0.03 0.04 -0.04 2.03 1.93 2d05A1 PRO 218 HD2 -0.86 0.12 0.26 -0.04 3.68 3.16 2d05A1 PRO 218 HD3 -0.28 0.06 0.16 -0.04 3.65 3.55 2d05A1 TYR 219 H -0.56 0.30 -0.08 -0.55 8.29 7.40 2d05A1 TYR 219 HA 0.02 0.10 0.40 -0.75 4.56 4.32 2d05A1 TYR 219 HB2 0.00 0.18 0.11 -0.04 3.06 3.31 2d05A1 TYR 219 HB3 0.01 -0.06 -0.02 -0.04 2.98 2.87 2d05A1 TYR 219 HD2 0.00 0.12 0.00 -0.04 7.15 7.24 2d05A1 TYR 219 HE2 0.00 -0.06 -0.01 -0.04 6.85 6.73 2d05A1 ASN 220 H 0.09 0.36 -0.03 -0.55 8.53 8.40 2d05A1 ASN 220 HA 0.08 0.15 0.47 -0.75 4.76 4.70 2d05A1 ASN 220 HB2 0.07 -0.06 -0.14 -0.04 2.88 2.71 2d05A1 ASN 220 HB3 0.08 -0.13 -0.05 -0.04 2.79 2.65 2d05A1 ASN 220 HD21 0.09 -0.02 -0.16 -0.04 7.03 6.89 2d05A1 ASN 220 HD22 0.13 0.43 -0.13 -0.04 7.74 8.13 2d05A1 LYS 221 H 0.06 0.17 0.11 -0.55 8.42 8.20 2d05A1 LYS 221 HA 0.02 0.17 0.62 -0.75 4.32 4.38 2d05A1 LYS 221 HB2 0.04 0.02 0.07 -0.04 1.87 1.96 2d05A1 LYS 221 HB3 0.06 -0.07 0.16 -0.04 1.79 1.90 2d05A1 LYS 221 HG2 0.04 0.22 -0.09 -0.04 1.46 1.58 2d05A1 LYS 221 HG3 0.02 0.00 0.07 -0.04 1.46 1.52 2d05A1 LYS 221 HD2 0.03 -0.01 0.02 -0.04 1.69 1.69 2d05A1 LYS 221 HD3 0.04 -0.05 0.01 -0.04 1.68 1.64 2d05A1 LYS 221 HE2 0.03 0.02 0.03 -0.04 2.99 3.03 2d05A1 LYS 221 HE3 0.02 0.01 0.03 -0.04 2.99 3.00 2d05A1 PRO 222 HA 0.00 -0.19 0.51 -0.51 4.44 4.26 2d05A1 PRO 222 HB2 0.00 0.04 0.08 -0.04 2.28 2.36 2d05A1 PRO 222 HB3 -0.00 0.00 0.15 -0.04 2.02 2.13 2d05A1 PRO 222 HG2 0.00 0.02 0.14 -0.04 2.03 2.15 2d05A1 PRO 222 HG3 0.01 0.23 0.18 -0.04 2.03 2.40 2d05A1 PRO 222 HD2 0.01 0.05 0.24 -0.04 3.68 3.94 2d05A1 PRO 222 HD3 0.01 0.26 0.34 -0.04 3.65 4.22 2d05A1 PRO 223 HA -0.03 0.00 0.40 -0.51 4.44 4.30 2d05A1 PRO 223 HB2 -0.08 -0.03 0.19 -0.04 2.28 2.32 2d05A1 PRO 223 HB3 -0.03 0.05 0.11 -0.04 2.02 2.11 2d05A1 PRO 223 HG2 -0.02 0.05 -0.03 -0.04 2.03 1.98 2d05A1 PRO 223 HG3 -0.01 0.04 0.04 -0.04 2.03 2.07 2d05A1 PRO 223 HD2 0.05 0.18 0.26 -0.04 3.68 4.14 2d05A1 PRO 223 HD3 0.02 0.14 0.11 -0.04 3.65 3.88 2d05A1 ASN 224 H 0.04 0.67 0.12 -0.55 8.53 8.82 2d05A1 ASN 224 HA 0.01 0.07 0.44 -0.75 4.76 4.52 2d05A1 ASN 224 HB2 0.11 0.07 0.14 -0.04 2.88 3.16 2d05A1 ASN 224 HB3 0.25 0.05 0.07 -0.04 2.79 3.12 2d05A1 ASN 224 HD21 0.11 -0.07 0.02 -0.04 7.03 7.06 2d05A1 ASN 224 HD22 0.11 0.01 0.09 -0.04 7.74 7.91 2d05A1 GLY 225 H 0.01 0.13 -0.35 -0.55 8.43 7.67 2d05A1 GLY 225 HA2 0.02 0.16 0.34 -0.51 4.01 4.02 2d05A1 GLY 225 HA3 0.01 0.17 -0.07 -0.51 4.01 3.61 2d05A1 LYS 226 H -0.08 0.05 -0.32 -0.55 8.42 7.52 2d05A1 LYS 226 HA -0.09 0.07 0.38 -0.75 4.32 3.92 2d05A1 LYS 226 HB2 -0.07 -0.02 0.09 -0.04 1.87 1.82 2d05A1 LYS 226 HB3 -0.13 0.15 0.13 -0.04 1.79 1.90 2d05A1 LYS 226 HG2 -0.14 0.00 -0.17 -0.04 1.46 1.11 2d05A1 LYS 226 HG3 -0.09 -0.00 0.03 -0.04 1.46 1.37 2d05A1 LYS 226 HD2 -0.06 0.00 0.01 -0.04 1.69 1.60 2d05A1 LYS 226 HD3 -0.08 0.01 -0.00 -0.04 1.68 1.57 2d05A1 LYS 226 HE2 -0.07 -0.00 -0.04 -0.04 2.99 2.84 2d05A1 LYS 226 HE3 -0.06 -0.00 -0.02 -0.04 2.99 2.87 2d05A1 ASN 227 H -0.35 0.50 -0.23 -0.55 8.53 7.90 2d05A1 ASN 227 HA -0.57 0.00 0.37 -0.75 4.76 3.81 2d05A1 ASN 227 HB2 -1.24 0.08 0.12 -0.04 2.88 1.80 2d05A1 ASN 227 HB3 -2.91 0.02 -0.05 -0.04 2.79 -0.19 2d05A1 ASN 227 HD21 -0.13 -0.05 -0.04 -0.04 7.03 6.76 2d05A1 ASN 227 HD22 -0.28 0.02 -0.13 -0.04 7.74 7.31 2d05A1 ARG 228 H -0.25 0.47 -0.21 -0.55 8.46 7.91 2d05A1 ARG 228 HA 0.09 0.06 0.35 -0.75 4.34 4.08 2d05A1 ARG 228 HB2 0.26 -0.00 0.10 -0.04 1.90 2.21 2d05A1 ARG 228 HB3 0.17 0.12 0.14 -0.04 1.80 2.19 2d05A1 ARG 228 HG2 0.04 0.18 0.13 -0.04 1.67 1.98 2d05A1 ARG 228 HG3 0.16 -0.07 -0.20 -0.04 1.67 1.52 2d05A1 ARG 228 HD2 0.13 0.01 -0.05 -0.04 3.22 3.28 2d05A1 ARG 228 HD3 0.08 0.01 -0.05 -0.04 3.22 3.22 2d05A1 VAL 229 H -0.05 0.49 -0.23 -0.55 8.24 7.89 2d05A1 VAL 229 HA 0.16 0.02 0.37 -0.75 4.13 3.93 2d05A1 VAL 229 HB -0.07 0.12 0.10 -0.04 2.12 2.23 2d05A1 VAL 229 HG13 -0.07 -0.01 -0.06 -0.04 0.97 0.79 2d05A1 VAL 229 HG23 -0.02 0.06 -0.05 -0.04 0.95 0.90 2d05A1 LYS 230 H -0.16 0.53 -0.19 -0.55 8.42 8.05 2d05A1 LYS 230 HA -0.11 -0.07 0.35 -0.75 4.32 3.74 2d05A1 LYS 230 HB2 -0.16 0.03 0.08 -0.04 1.87 1.78 2d05A1 LYS 230 HB3 -0.27 0.18 0.14 -0.04 1.79 1.80 2d05A1 LYS 230 HG2 -0.16 0.06 -0.08 -0.04 1.46 1.24 2d05A1 LYS 230 HG3 -0.10 -0.13 0.01 -0.04 1.46 1.20 2d05A1 LYS 230 HD2 -0.12 0.02 -0.04 -0.04 1.69 1.51 2d05A1 LYS 230 HD3 -0.08 -0.02 -0.03 -0.04 1.68 1.50 2d05A1 LYS 230 HE2 -0.07 0.02 -0.01 -0.04 2.99 2.88 2d05A1 LYS 230 HE3 -0.06 -0.01 -0.03 -0.04 2.99 2.85 2d05A1 GLN 231 H -0.15 0.46 -0.43 -0.55 8.47 7.80 2d05A1 GLN 231 HA -0.14 0.04 0.31 -0.75 4.36 3.81 2d05A1 GLN 231 HB2 -0.37 0.23 0.16 -0.04 2.15 2.13 2d05A1 GLN 231 HB3 -0.45 -0.14 -0.04 -0.04 2.02 1.36 2d05A1 GLN 231 HG2 0.12 0.18 -0.03 -0.04 2.40 2.63 2d05A1 GLN 231 HG3 -0.01 0.23 0.08 -0.04 2.39 2.65 2d05A1 GLN 231 HE21 0.13 0.30 0.15 -0.04 6.97 7.51 2d05A1 GLN 231 HE22 -0.11 0.06 0.11 -0.04 7.69 7.71 2d05A1 TRP 232 H -0.09 0.40 -0.17 -0.55 7.97 7.56 2d05A1 TRP 232 HA -0.04 -0.02 0.34 -0.75 4.62 4.15 2d05A1 TRP 232 HB2 -0.47 0.15 0.11 -0.04 3.23 2.98 2d05A1 TRP 232 HB3 0.00 -0.09 -0.02 -0.04 3.23 3.08 2d05A1 TRP 232 HD1 -0.07 0.17 0.10 -0.04 7.22 7.38 2d05A1 TRP 232 HE1 0.05 0.07 -0.07 -0.04 10.20 10.21 2d05A1 TRP 232 HE3 0.01 -0.07 0.00 -0.04 7.59 7.49 2d05A1 TRP 232 HZ2 0.05 0.05 -0.17 -0.04 7.44 7.34 2d05A1 TRP 232 HZ3 -0.06 -0.05 -0.03 -0.04 7.13 6.95 2d05A1 TRP 232 HH2 -0.01 -0.03 -0.03 -0.04 7.19 7.08 2d05A1 ASP 233 H -0.16 0.59 -0.05 -0.55 8.40 8.23 2d05A1 ASP 233 HA 0.21 -0.02 0.43 -0.75 4.63 4.50 2d05A1 ASP 233 HB2 -0.15 0.11 0.06 -0.04 2.71 2.69 2d05A1 ASP 233 HB3 -0.03 0.07 0.04 -0.04 2.70 2.74 2d05A1 THR 234 H -0.05 0.71 -0.26 -0.55 8.28 8.14 2d05A1 THR 234 HA -0.01 -0.01 0.35 -0.75 4.39 3.97 2d05A1 THR 234 HB -0.06 0.19 0.12 -0.04 4.32 4.52 2d05A1 THR 234 HG23 -0.03 -0.04 -0.07 -0.04 1.22 1.05 2d05A1 LEU 235 H -0.02 0.42 -0.27 -0.55 8.37 7.95 2d05A1 LEU 235 HA -0.02 -0.01 0.34 -0.75 4.35 3.91 2d05A1 LEU 235 HB2 0.03 0.18 0.09 -0.04 1.64 1.90 2d05A1 LEU 235 HB3 -0.00 -0.09 -0.04 -0.04 1.64 1.47 2d05A1 LEU 235 HG -0.12 0.23 0.05 -0.04 1.64 1.76 2d05A1 LEU 235 HD13 -0.24 -0.02 -0.08 -0.04 0.93 0.55 2d05A1 LEU 235 HD23 -0.06 -0.03 -0.06 -0.04 0.89 0.70 2d05A1 VAL 236 H 0.08 0.46 -0.31 -0.55 8.24 7.93 2d05A1 VAL 236 HA 0.03 -0.08 0.39 -0.75 4.13 3.72 2d05A1 VAL 236 HB 0.12 0.22 0.13 -0.04 2.12 2.55 2d05A1 VAL 236 HG13 0.02 -0.02 -0.12 -0.04 0.97 0.82 2d05A1 VAL 236 HG23 0.16 0.03 -0.06 -0.04 0.95 1.04 2d05A1 ASP 237 H 0.03 0.57 -0.08 -0.55 8.40 8.38 2d05A1 ASP 237 HA 0.01 -0.00 0.41 -0.75 4.63 4.29 2d05A1 ASP 237 HB2 0.00 0.15 0.14 -0.04 2.71 2.97 2d05A1 ASP 237 HB3 0.00 -0.05 0.01 -0.04 2.70 2.62 2d05A1 MET 238 H 0.00 0.42 -0.30 -0.55 8.47 8.05 2d05A1 MET 238 HA -0.00 0.11 0.55 -0.75 4.52 4.43 2d05A1 MET 238 HB2 -0.01 -0.03 0.07 -0.04 2.15 2.14 2d05A1 MET 238 HB3 -0.01 -0.07 0.11 -0.04 2.03 2.03 2d05A1 MET 238 HG2 -0.01 -0.03 -0.01 -0.04 2.63 2.54 2d05A1 MET 238 HG3 -0.01 0.18 0.03 -0.04 2.56 2.72 2d05A1 MET 238 HE3 -0.01 -0.02 -0.01 -0.04 2.10 2.02 2d05A1 GLY 239 H 0.00 0.43 -0.60 -0.55 8.43 7.72 2d05A1 GLY 239 HA2 -0.01 -0.00 0.36 -0.51 4.01 3.85 2d05A1 GLY 239 HA3 -0.01 0.06 0.47 -0.51 4.01 4.02 2d05A1 LYS 240 H -0.00 0.58 -0.15 -0.55 8.42 8.29 2d05A1 LYS 240 HA -0.01 0.15 0.78 -0.75 4.32 4.49 2d05A1 LYS 240 HB2 -0.01 0.06 0.14 -0.04 1.87 2.01 2d05A1 LYS 240 HB3 -0.02 -0.14 0.15 -0.04 1.79 1.75 2d05A1 LYS 240 HG2 -0.01 0.11 -0.16 -0.04 1.46 1.35 2d05A1 LYS 240 HG3 -0.01 -0.07 -0.00 -0.04 1.46 1.34 2d05A1 LYS 240 HD2 -0.01 -0.07 0.00 -0.04 1.69 1.57 2d05A1 LYS 240 HD3 -0.01 0.13 -0.17 -0.04 1.68 1.58 2d05A1 LYS 240 HE2 -0.01 0.17 -0.03 -0.04 2.99 3.09 2d05A1 LYS 240 HE3 -0.01 -0.08 0.00 -0.04 2.99 2.86 2d05A1 MET 241 H -0.02 0.34 -0.51 -0.55 8.47 7.73 2d05A1 MET 241 HA -0.01 0.08 0.25 -0.75 4.52 4.08 2d05A1 MET 241 HB2 -0.03 0.07 0.02 -0.04 2.15 2.17 2d05A1 MET 241 HB3 -0.05 -0.10 0.02 -0.04 2.03 1.85 2d05A1 MET 241 HG2 -0.02 0.06 -0.04 -0.04 2.63 2.59 2d05A1 MET 241 HG3 -0.05 0.01 0.00 -0.04 2.56 2.48 2d05A1 MET 241 HE3 -0.11 -0.02 -0.09 -0.04 2.10 1.84 2d05A1 ASN 242 H -0.02 0.18 -0.21 -0.55 8.53 7.92 2d05A1 ASN 242 HA -0.05 0.04 0.63 -0.75 4.76 4.63 2d05A1 ASN 242 HB2 -0.03 0.03 0.08 -0.04 2.88 2.93 2d05A1 ASN 242 HB3 -0.02 0.01 0.01 -0.04 2.79 2.74 2d05A1 ASN 242 HD21 -0.02 0.02 0.01 -0.04 7.03 7.00 2d05A1 ASN 242 HD22 -0.02 0.02 -0.01 -0.04 7.74 7.69 2d05A1 LEU 243 H -0.02 0.32 -0.34 -0.55 8.37 7.78 2d05A1 LEU 243 HA -0.02 0.08 0.20 -0.75 4.35 3.85 2d05A1 LEU 243 HB2 -0.06 0.05 -0.14 -0.04 1.64 1.45 2d05A1 LEU 243 HB3 -0.03 -0.03 0.18 -0.04 1.64 1.72 2d05A1 LEU 243 HG 0.00 -0.02 -0.25 -0.04 1.64 1.33 2d05A1 LEU 243 HD13 0.03 0.00 -0.18 -0.04 0.93 0.74 2d05A1 LEU 243 HD23 -0.04 0.02 -0.05 -0.04 0.89 0.78 2d05A1 LYS 244 H -0.02 0.18 -0.29 -0.55 8.42 7.73 2d05A1 LYS 244 HA 0.00 0.10 0.79 -0.75 4.32 4.46 2d05A1 LYS 244 HB2 -0.01 0.01 -0.04 -0.04 1.87 1.79 2d05A1 LYS 244 HB3 -0.00 -0.01 -0.00 -0.04 1.79 1.74 2d05A1 LYS 244 HG2 -0.01 -0.09 -0.03 -0.04 1.46 1.29 2d05A1 LYS 244 HG3 -0.03 0.25 -0.30 -0.04 1.46 1.34 2d05A1 LYS 244 HD2 -0.02 -0.04 0.01 -0.04 1.69 1.60 2d05A1 LYS 244 HD3 -0.02 0.04 -0.02 -0.04 1.68 1.65 2d05A1 LYS 244 HE2 -0.01 0.05 0.01 -0.04 2.99 3.00 2d05A1 LYS 244 HE3 -0.00 0.02 -0.01 -0.04 2.99 2.96 2d05A1 ASN 245 H 0.01 0.13 0.09 -0.55 8.53 8.21 2d05A1 ASN 245 HA 0.01 -0.01 0.35 -0.75 4.76 4.36 2d05A1 ASN 245 HB2 0.00 0.22 0.02 -0.04 2.88 3.08 2d05A1 ASN 245 HB3 0.01 0.02 0.20 -0.04 2.79 2.98 2d05A1 ASN 245 HD21 0.00 0.02 -0.06 -0.04 7.03 6.95 2d05A1 ASN 245 HD22 0.00 0.08 -0.16 -0.04 7.74 7.61 2d05A1 VAL 246 H 0.01 0.09 -0.22 -0.55 8.24 7.57 2d05A1 VAL 246 HA -0.00 0.26 0.83 -0.75 4.13 4.46 2d05A1 VAL 246 HB -0.02 -0.03 0.10 -0.04 2.12 2.13 2d05A1 VAL 246 HG13 -0.01 0.08 -0.25 -0.04 0.97 0.75 2d05A1 VAL 246 HG23 -0.01 0.00 -0.30 -0.04 0.95 0.60 2d05A1 ASP 247 H 0.01 0.13 -0.08 -0.55 8.40 7.91 2d05A1 ASP 247 HA 0.02 0.11 0.32 -0.75 4.63 4.32 2d05A1 ASP 247 HB2 0.02 -0.00 0.07 -0.04 2.71 2.75 2d05A1 ASP 247 HB3 0.02 0.10 -0.01 -0.04 2.70 2.77 2d05A1 SER 248 H 0.01 0.08 -0.23 -0.55 8.46 7.77 2d05A1 SER 248 HA 0.00 0.12 0.38 -0.75 4.49 4.24 2d05A1 SER 248 HB2 0.00 -0.00 0.05 -0.04 3.95 3.96 2d05A1 SER 248 HB3 0.00 0.01 0.02 -0.04 3.93 3.92 2d05A1 GLU 249 H -0.01 0.05 -0.21 -0.55 8.60 7.89 2d05A1 GLU 249 HA -0.01 0.08 0.39 -0.75 4.29 4.00 2d05A1 GLU 249 HB2 -0.02 0.03 0.12 -0.04 2.09 2.18 2d05A1 GLU 249 HB3 -0.03 0.05 0.00 -0.04 1.99 1.97 2d05A1 GLU 249 HG2 -0.01 0.06 0.02 -0.04 2.34 2.36 2d05A1 GLU 249 HG3 -0.01 0.03 0.02 -0.04 2.34 2.34 2d05A1 ILE 250 H -0.01 0.51 -0.23 -0.55 8.25 7.96 2d05A1 ILE 250 HA -0.06 0.05 0.30 -0.75 4.18 3.71 2d05A1 ILE 250 HB -0.00 0.07 0.07 -0.04 1.89 2.00 2d05A1 ILE 250 HG12 -0.02 0.18 -0.01 -0.04 1.49 1.60 2d05A1 ILE 250 HG13 -0.01 -0.09 -0.07 -0.04 1.21 1.00 2d05A1 ILE 250 HG23 -0.02 0.00 -0.09 -0.04 0.93 0.78 2d05A1 ILE 250 HD13 -0.09 0.00 -0.07 -0.04 0.88 0.68 2d05A1 ALA 251 H -0.00 0.36 -0.21 -0.55 8.40 8.00 2d05A1 ALA 251 HA -0.01 0.03 0.35 -0.75 4.34 3.96 2d05A1 ALA 251 HB3 0.00 0.01 0.09 -0.04 1.41 1.47 2d05A1 GLN 252 H -0.00 0.35 -0.24 -0.55 8.47 8.03 2d05A1 GLN 252 HA 0.01 0.06 0.47 -0.75 4.36 4.15 2d05A1 GLN 252 HB2 -0.00 0.06 0.18 -0.04 2.15 2.35 2d05A1 GLN 252 HB3 0.01 -0.01 -0.01 -0.04 2.02 1.97 2d05A1 GLN 252 HG2 0.00 0.04 0.01 -0.04 2.40 2.41 2d05A1 GLN 252 HG3 0.00 -0.06 -0.02 -0.04 2.39 2.26 2d05A1 GLN 252 HE21 0.01 -0.00 -0.03 -0.04 6.97 6.91 2d05A1 GLN 252 HE22 0.00 -0.04 -0.04 -0.04 7.69 7.57 2d05A1 VAL 253 H -0.01 0.59 0.03 -0.55 8.24 8.30 2d05A1 VAL 253 HA 0.04 0.09 0.41 -0.75 4.13 3.91 2d05A1 VAL 253 HB -0.05 -0.00 0.11 -0.04 2.12 2.13 2d05A1 VAL 253 HG13 -0.04 0.04 0.00 -0.04 0.97 0.93 2d05A1 VAL 253 HG23 -0.10 0.01 -0.10 -0.04 0.95 0.71 2d05A1 THR 254 H 0.02 0.34 -0.43 -0.55 8.28 7.67 2d05A1 THR 254 HA 0.21 0.16 0.73 -0.75 4.39 4.74 2d05A1 THR 254 HB -0.16 -0.07 0.09 -0.04 4.32 4.14 2d05A1 THR 254 HG23 -0.03 -0.01 -0.08 -0.04 1.22 1.06 2d05A1 ASP 255 H 0.08 0.31 -0.53 -0.55 8.40 7.71 2d05A1 ASP 255 HA -0.05 0.01 0.53 -0.75 4.63 4.36 2d05A1 ASP 255 HB2 0.01 0.15 0.21 -0.04 2.71 3.04 2d05A1 ASP 255 HB3 0.06 0.14 0.27 -0.04 2.70 3.13 2d05A1 TRP 256 H -0.29 0.60 0.15 -0.55 7.97 7.88 2d05A1 TRP 256 HA -0.01 0.03 0.46 -0.75 4.62 4.35 2d05A1 TRP 256 HB2 -0.01 -0.04 0.02 -0.04 3.23 3.15 2d05A1 TRP 256 HB3 -0.02 0.10 -0.12 -0.04 3.23 3.14 2d05A1 TRP 256 HD1 -0.05 0.12 -0.41 -0.04 7.22 6.84 2d05A1 TRP 256 HE1 -0.06 0.01 -0.03 -0.04 10.20 10.07 2d05A1 TRP 256 HE3 -0.01 0.17 -0.48 -0.04 7.59 7.23 2d05A1 TRP 256 HZ2 -0.01 0.01 -0.15 -0.04 7.44 7.25 2d05A1 TRP 256 HZ3 0.00 -0.11 -0.10 -0.04 7.13 6.88 2d05A1 TRP 256 HH2 0.01 0.02 -0.03 -0.04 7.19 7.14 2d05A1 GLU 257 H 0.26 0.13 0.08 -0.55 8.60 8.51 2d05A1 GLU 257 HA -0.04 0.13 0.88 -0.75 4.29 4.51 2d05A1 GLU 257 HB2 0.05 -0.02 0.02 -0.04 2.09 2.09 2d05A1 GLU 257 HB3 0.11 -0.01 0.09 -0.04 1.99 2.13 2d05A1 GLU 257 HG2 0.06 0.14 -0.35 -0.04 2.34 2.14 2d05A1 GLU 257 HG3 0.02 -0.01 0.01 -0.04 2.34 2.31 2d05A1 MET 258 H -0.08 0.15 0.16 -0.55 8.47 8.16 2d05A1 MET 258 HA 0.30 0.05 0.53 -0.75 4.52 4.64 2d05A1 MET 258 HB2 -0.06 -0.03 0.16 -0.04 2.15 2.18 2d05A1 MET 258 HB3 0.03 0.02 -0.07 -0.04 2.03 1.96 2d05A1 MET 258 HG2 -0.52 0.01 -0.03 -0.04 2.63 2.05 2d05A1 MET 258 HG3 -0.20 0.04 0.04 -0.04 2.56 2.40 2d05A1 MET 258 HE3 0.04 0.04 -0.03 -0.04 2.10 2.11 2d05A1 LYS 259 H 0.19 0.14 0.08 -0.55 8.42 8.27 2d05A1 LYS 259 HA 0.08 0.10 0.16 -0.75 4.32 3.91 2d05A1 LYS 259 HB2 0.05 0.20 0.18 -0.04 1.87 2.26 2d05A1 LYS 259 HB3 0.05 -0.01 0.08 -0.04 1.79 1.86 2d05A1 LYS 259 HG2 0.06 0.00 -0.03 -0.04 1.46 1.46 2d05A1 LYS 259 HG3 0.06 -0.03 -0.34 -0.04 1.46 1.11 2d05A1 LYS 259 HD2 0.03 -0.02 -0.01 -0.04 1.69 1.65 2d05A1 LYS 259 HD3 0.04 0.02 -0.04 -0.04 1.68 1.65 2d05A1 LYS 259 HE2 0.02 0.03 -0.07 -0.04 2.99 2.93 2d05A1 LYS 259 HE3 0.03 0.02 -0.01 -0.04 2.99 2.99