============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. HIS 5 0.900 -21.274 0.169 -9.214 -99.200 -91.000 PHE 16 1.000 -11.714 0.809 -2.379 -99.200 -91.000 PHE 17 1.000 -8.032 1.158 -8.368 -99.200 -91.000 TRP 20 1.040 -9.716 5.061 -5.794 -99.200 -91.000 TRP6 20 1.020 -8.253 5.599 -4.044 -99.200 -91.000 HIS 22 0.900 -17.187 9.720 -11.162 -99.200 -91.000 PHE 23 1.000 -13.762 9.677 -5.910 -99.200 -91.000 TYR 30 0.840 -1.558 6.307 -2.380 -99.200 -91.000 PHE 61 1.000 -12.225 9.320 3.320 -99.200 -91.000 TYR 65 0.840 -9.262 11.626 4.387 -99.200 -91.000 HIS 80 0.900 -11.096 3.158 5.961 -99.200 -91.000 PHE 88 1.000 -11.289 -5.899 0.296 -99.200 -91.000 PHE 92 1.000 -8.635 -2.088 1.045 -99.200 -91.000 PHE 103 1.000 1.814 -3.333 5.366 -99.200 -91.000 TRP 107 1.040 5.735 -7.783 1.097 -99.200 -91.000 TRP6 107 1.020 4.881 -7.645 -1.083 -99.200 -91.000 TYR 110 0.840 2.409 -13.323 3.381 -99.200 -91.000 HIS 114 0.900 11.494 -13.382 2.769 -99.200 -91.000 PHE 117 1.000 8.499 -9.491 -8.378 -99.200 -91.000 PHE 126 1.000 0.277 -10.691 1.693 -99.200 -91.000 TYR 146 0.840 -7.083 -7.169 0.998 -99.200 -91.000 PHE 154 1.000 2.751 -2.431 -7.196 -99.200 -91.000 PHE 177 1.000 9.109 1.032 4.406 -99.200 -91.000 PHE 181 1.000 12.667 3.068 0.459 -99.200 -91.000 PHE 191 1.000 16.733 -1.875 -4.087 -99.200 -91.000 PHE 195 1.000 20.264 -5.103 -1.473 -99.200 -91.000 TYR 198 0.840 23.875 -0.232 -0.704 -99.200 -91.000 TYR 205 0.840 21.924 -12.742 3.796 -99.200 -91.000 TYR 234 0.840 12.799 6.378 5.003 -99.200 -91.000 TYR 248 0.840 18.825 -14.714 1.886 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2f33A1 MET 1 H -0.14 0.00 0.06 -0.55 8.47 7.85 2f33A1 MET 1 HA -0.20 0.03 0.19 -0.75 4.52 3.78 2f33A1 MET 1 HB2 -0.03 -0.02 -0.05 -0.04 2.15 2.01 2f33A1 MET 1 HB3 -0.11 0.07 0.03 -0.04 2.03 1.98 2f33A1 MET 1 HG2 -0.30 0.10 0.01 -0.04 2.63 2.41 2f33A1 MET 1 HG3 -0.23 -0.33 0.15 -0.04 2.56 2.11 2f33A1 MET 1 HE3 0.11 -0.03 -0.29 -0.04 2.10 1.85 2f33A1 ALA 2 H 0.01 0.26 0.11 -0.55 8.40 8.23 2f33A1 ALA 2 HA 0.10 0.01 0.40 -0.75 4.34 4.09 2f33A1 ALA 2 HB3 0.24 0.06 0.09 -0.04 1.41 1.75 2f33A1 GLU 3 H 0.06 0.13 -0.11 -0.55 8.60 8.12 2f33A1 GLU 3 HA 0.03 0.07 0.31 -0.75 4.29 3.95 2f33A1 GLU 3 HB2 0.04 -0.01 0.06 -0.04 2.09 2.13 2f33A1 GLU 3 HB3 -0.01 -0.01 -0.05 -0.04 1.99 1.88 2f33A1 GLU 3 HG2 0.00 0.08 -0.03 -0.04 2.34 2.34 2f33A1 GLU 3 HG3 0.02 0.01 -0.03 -0.04 2.34 2.29 2f33A1 SER 4 H -0.13 0.14 -0.79 -0.55 8.46 7.13 2f33A1 SER 4 HA -0.07 0.16 0.55 -0.75 4.49 4.37 2f33A1 SER 4 HB2 -0.27 -0.07 0.08 -0.04 3.95 3.66 2f33A1 SER 4 HB3 -0.58 -0.03 0.02 -0.04 3.93 3.30 2f33A1 HIS 5 H -0.36 0.46 0.14 -0.55 8.41 8.11 2f33A1 HIS 5 HA 0.02 0.05 0.54 -0.75 4.63 4.49 2f33A1 HIS 5 HB2 0.04 -0.01 -0.05 -0.04 3.26 3.20 2f33A1 HIS 5 HB3 0.04 -0.07 0.02 -0.04 3.20 3.14 2f33A1 HIS 5 HD2 0.00 -0.05 -0.11 -0.04 6.97 6.76 2f33A1 HIS 5 HE1 0.00 0.03 -0.04 -0.04 7.75 7.70 2f33A1 LEU 6 H 0.07 0.84 0.06 -0.55 8.37 8.79 2f33A1 LEU 6 HA 0.10 -0.04 0.38 -0.75 4.35 4.03 2f33A1 LEU 6 HB2 0.09 0.21 -0.02 -0.04 1.64 1.88 2f33A1 LEU 6 HB3 0.06 0.04 -0.09 -0.04 1.64 1.61 2f33A1 LEU 6 HG 0.07 0.01 -0.07 -0.04 1.64 1.61 2f33A1 LEU 6 HD13 0.12 -0.02 -0.00 -0.04 0.93 0.98 2f33A1 LEU 6 HD23 0.18 -0.03 -0.15 -0.04 0.89 0.85 2f33A1 GLN 7 H 0.04 0.25 -0.35 -0.55 8.47 7.87 2f33A1 GLN 7 HA 0.02 0.17 0.79 -0.75 4.36 4.59 2f33A1 GLN 7 HB2 0.02 0.12 0.09 -0.04 2.15 2.34 2f33A1 GLN 7 HB3 0.02 -0.02 0.07 -0.04 2.02 2.04 2f33A1 GLN 7 HG2 0.03 -0.08 -0.28 -0.04 2.40 2.03 2f33A1 GLN 7 HG3 0.02 0.04 -0.73 -0.04 2.39 1.68 2f33A1 GLN 7 HE21 0.03 0.01 -0.18 -0.04 6.97 6.79 2f33A1 GLN 7 HE22 0.02 -0.05 -0.13 -0.04 7.69 7.49 2f33A1 SER 8 H 0.06 0.17 -0.56 -0.55 8.46 7.58 2f33A1 SER 8 HA 0.04 0.14 0.67 -0.75 4.49 4.59 2f33A1 SER 8 HB2 0.07 0.78 0.32 -0.04 3.95 5.09 2f33A1 SER 8 HB3 0.12 -0.16 0.29 -0.04 3.93 4.13 2f33A1 SER 9 H 0.06 0.21 0.11 -0.55 8.46 8.29 2f33A1 SER 9 HA 0.02 0.18 0.62 -0.75 4.49 4.57 2f33A1 SER 9 HB2 0.04 -0.07 -0.15 -0.04 3.95 3.73 2f33A1 SER 9 HB3 0.03 -0.01 -0.06 -0.04 3.93 3.84 2f33A1 LEU 10 H 0.02 0.08 0.09 -0.55 8.37 8.01 2f33A1 LEU 10 HA 0.01 0.81 1.01 -0.75 4.35 5.42 2f33A1 LEU 10 HB2 0.01 -0.13 -0.18 -0.04 1.64 1.30 2f33A1 LEU 10 HB3 0.01 -0.07 0.12 -0.04 1.64 1.65 2f33A1 LEU 10 HG 0.03 -0.04 0.29 -0.04 1.64 1.87 2f33A1 LEU 10 HD13 0.05 0.01 0.05 -0.04 0.93 1.01 2f33A1 LEU 10 HD23 0.02 -0.03 0.06 -0.04 0.89 0.90 2f33A1 ILE 11 H 0.03 0.33 0.28 -0.55 8.25 8.34 2f33A1 ILE 11 HA 0.03 0.00 0.62 -0.75 4.18 4.08 2f33A1 ILE 11 HB 0.09 -0.07 -0.01 -0.04 1.89 1.87 2f33A1 ILE 11 HG12 0.10 -0.00 0.03 -0.04 1.49 1.58 2f33A1 ILE 11 HG13 0.05 0.35 0.15 -0.04 1.21 1.71 2f33A1 ILE 11 HG23 -0.04 -0.05 0.03 -0.04 0.93 0.83 2f33A1 ILE 11 HD13 0.08 -0.03 -0.05 -0.04 0.88 0.84 2f33A1 THR 12 H 0.04 0.04 0.20 -0.55 8.28 8.01 2f33A1 THR 12 HA 0.17 0.24 0.44 -0.75 4.39 4.48 2f33A1 THR 12 HB -0.04 -0.06 0.26 -0.04 4.32 4.44 2f33A1 THR 12 HG23 -0.01 0.06 0.13 -0.04 1.22 1.36 2f33A1 ALA 13 H 0.11 0.16 0.10 -0.55 8.40 8.23 2f33A1 ALA 13 HA 0.76 0.16 0.38 -0.75 4.34 4.89 2f33A1 ALA 13 HB3 0.28 0.05 -0.00 -0.04 1.41 1.69 2f33A1 SER 14 H 0.02 0.11 -0.02 -0.55 8.46 8.03 2f33A1 SER 14 HA 0.07 0.17 0.39 -0.75 4.49 4.37 2f33A1 SER 14 HB2 0.05 0.10 0.00 -0.04 3.95 4.07 2f33A1 SER 14 HB3 0.00 0.01 0.06 -0.04 3.93 3.96 2f33A1 GLN 15 H 0.03 0.03 -0.40 -0.55 8.47 7.58 2f33A1 GLN 15 HA -0.04 0.14 0.43 -0.75 4.36 4.14 2f33A1 GLN 15 HB2 -0.00 -0.06 0.07 -0.04 2.15 2.12 2f33A1 GLN 15 HB3 -0.04 0.10 -0.05 -0.04 2.02 1.98 2f33A1 GLN 15 HG2 -0.42 0.07 -0.00 -0.04 2.40 2.00 2f33A1 GLN 15 HG3 -0.15 0.02 -0.02 -0.04 2.39 2.20 2f33A1 GLN 15 HE21 -0.19 0.05 -0.01 -0.04 6.97 6.77 2f33A1 GLN 15 HE22 -0.09 0.03 0.01 -0.04 7.69 7.60 2f33A1 PHE 16 H 0.18 0.56 -0.11 -0.55 8.34 8.42 2f33A1 PHE 16 HA 0.01 0.02 0.31 -0.75 4.62 4.21 2f33A1 PHE 16 HB2 -0.08 0.05 0.06 -0.04 3.15 3.13 2f33A1 PHE 16 HB3 -0.04 0.25 0.07 -0.04 3.06 3.30 2f33A1 PHE 16 HD2 -0.09 -0.06 -0.13 -0.04 7.28 6.96 2f33A1 PHE 16 HE2 -0.29 -0.09 -0.15 -0.04 7.38 6.81 2f33A1 PHE 16 HZ -0.45 0.03 0.01 -0.04 7.32 6.88 2f33A1 PHE 17 H -0.34 0.19 -0.83 -0.55 8.34 6.81 2f33A1 PHE 17 HA -1.35 0.03 0.37 -0.75 4.62 2.92 2f33A1 PHE 17 HB2 -0.77 0.08 0.10 -0.04 3.15 2.52 2f33A1 PHE 17 HB3 -0.32 0.01 0.14 -0.04 3.06 2.85 2f33A1 PHE 17 HD2 -0.44 -0.03 -0.02 -0.04 7.28 6.75 2f33A1 PHE 17 HE2 0.23 0.02 -0.05 -0.04 7.38 7.54 2f33A1 PHE 17 HZ 0.10 0.08 0.01 -0.04 7.32 7.47 2f33A1 GLU 18 H -0.09 0.26 -0.51 -0.55 8.60 7.72 2f33A1 GLU 18 HA -0.22 0.11 0.61 -0.75 4.29 4.03 2f33A1 GLU 18 HB2 -0.04 0.16 0.19 -0.04 2.09 2.36 2f33A1 GLU 18 HB3 -0.01 -0.01 0.18 -0.04 1.99 2.10 2f33A1 GLU 18 HG2 -0.02 -0.04 -0.03 -0.04 2.34 2.21 2f33A1 GLU 18 HG3 -0.06 -0.06 -0.10 -0.04 2.34 2.08 2f33A1 ILE 19 H 0.02 0.83 0.09 -0.55 8.25 8.64 2f33A1 ILE 19 HA 0.02 -0.05 0.34 -0.75 4.18 3.74 2f33A1 ILE 19 HB 0.17 0.14 0.04 -0.04 1.89 2.20 2f33A1 ILE 19 HG12 0.20 -0.09 -0.10 -0.04 1.49 1.46 2f33A1 ILE 19 HG13 0.13 0.15 -0.05 -0.04 1.21 1.40 2f33A1 ILE 19 HG23 0.19 -0.02 -0.01 -0.04 0.93 1.05 2f33A1 ILE 19 HD13 0.18 -0.02 -0.33 -0.04 0.88 0.67 2f33A1 TRP 20 H 0.12 0.45 -0.48 -0.55 7.97 7.51 2f33A1 TRP 20 HA -1.40 0.05 0.54 -0.75 4.62 3.06 2f33A1 TRP 20 HB2 0.38 -0.07 0.02 -0.04 3.23 3.53 2f33A1 TRP 20 HB3 0.11 0.26 0.07 -0.04 3.23 3.63 2f33A1 TRP 20 HD1 -0.50 0.41 -0.05 -0.04 7.22 7.04 2f33A1 TRP 20 HE1 -0.17 0.03 -0.08 -0.04 10.20 9.94 2f33A1 TRP 20 HE3 0.23 -0.04 -0.07 -0.04 7.59 7.67 2f33A1 TRP 20 HZ2 0.06 0.10 -0.22 -0.04 7.44 7.34 2f33A1 TRP 20 HZ3 0.10 0.06 -0.25 -0.04 7.13 7.00 2f33A1 TRP 20 HH2 -0.13 -0.05 -0.20 -0.04 7.19 6.78 2f33A1 LEU 21 H -0.01 0.16 -0.63 -0.55 8.37 7.34 2f33A1 LEU 21 HA -0.45 -0.01 0.42 -0.75 4.35 3.56 2f33A1 LEU 21 HB2 -0.35 0.29 0.44 -0.04 1.64 1.99 2f33A1 LEU 21 HB3 -0.23 -0.01 0.04 -0.04 1.64 1.40 2f33A1 LEU 21 HG -0.40 -0.05 0.03 -0.04 1.64 1.18 2f33A1 LEU 21 HD13 -0.17 0.01 0.02 -0.04 0.93 0.75 2f33A1 LEU 21 HD23 -0.49 0.01 0.04 -0.04 0.89 0.41 2f33A1 HIS 22 H -0.29 0.38 -0.48 -0.55 8.41 7.48 2f33A1 HIS 22 HA -0.18 0.02 0.28 -0.75 4.63 3.99 2f33A1 HIS 22 HB2 -0.19 -0.08 0.13 -0.04 3.26 3.08 2f33A1 HIS 22 HB3 -0.48 0.19 0.16 -0.04 3.20 3.03 2f33A1 HIS 22 HD2 -0.06 0.05 0.01 -0.04 6.97 6.93 2f33A1 HIS 22 HE1 0.03 -0.02 0.01 -0.04 7.75 7.73 2f33A1 PHE 23 H -1.21 0.22 -0.29 -0.55 8.34 6.51 2f33A1 PHE 23 HA -0.16 0.12 0.62 -0.75 4.62 4.44 2f33A1 PHE 23 HB2 -0.13 -0.08 0.09 -0.04 3.15 2.98 2f33A1 PHE 23 HB3 -0.20 0.01 -0.00 -0.04 3.06 2.83 2f33A1 PHE 23 HD2 -0.19 -0.05 -0.07 -0.04 7.28 6.93 2f33A1 PHE 23 HE2 0.07 -0.05 -0.01 -0.04 7.38 7.35 2f33A1 PHE 23 HZ 0.19 -0.03 -0.11 -0.04 7.32 7.32 2f33A1 ASP 24 H -0.39 0.28 -0.46 -0.55 8.40 7.27 2f33A1 ASP 24 HA -0.20 -0.11 0.53 -0.75 4.63 4.10 2f33A1 ASP 24 HB2 -0.78 0.24 0.01 -0.04 2.71 2.14 2f33A1 ASP 24 HB3 -0.36 0.05 0.24 -0.04 2.70 2.59 2f33A1 ALA 25 H -0.06 0.73 0.03 -0.55 8.40 8.56 2f33A1 ALA 25 HA -0.05 0.18 0.36 -0.75 4.34 4.07 2f33A1 ALA 25 HB3 -0.02 0.01 0.09 -0.04 1.41 1.44 2f33A1 ASP 26 H -0.05 0.06 -0.00 -0.55 8.40 7.86 2f33A1 ASP 26 HA -0.02 0.18 0.51 -0.75 4.63 4.55 2f33A1 ASP 26 HB2 -0.03 -0.07 0.15 -0.04 2.71 2.72 2f33A1 ASP 26 HB3 -0.01 0.02 0.12 -0.04 2.70 2.79 2f33A1 GLY 27 H -0.07 0.23 -0.87 -0.55 8.43 7.18 2f33A1 GLY 27 HA2 -0.04 0.05 0.27 -0.51 4.01 3.78 2f33A1 GLY 27 HA3 -0.01 0.12 0.27 -0.51 4.01 3.89 2f33A1 SER 28 H -0.01 -0.08 -1.01 -0.55 8.46 6.82 2f33A1 SER 28 HA 0.05 0.16 0.37 -0.75 4.49 4.31 2f33A1 SER 28 HB2 0.01 -0.05 0.03 -0.04 3.95 3.90 2f33A1 SER 28 HB3 0.06 0.00 -0.02 -0.04 3.93 3.93 2f33A1 GLY 29 H 0.08 0.01 -1.44 -0.55 8.43 6.53 2f33A1 GLY 29 HA2 0.21 0.01 0.22 -0.51 4.01 3.94 2f33A1 GLY 29 HA3 0.19 0.12 0.46 -0.51 4.01 4.27 2f33A1 TYR 30 H 0.10 0.04 -0.49 -0.55 8.29 7.40 2f33A1 TYR 30 HA 0.16 0.08 0.58 -0.75 4.56 4.63 2f33A1 TYR 30 HB2 0.03 0.00 -0.28 -0.04 3.06 2.77 2f33A1 TYR 30 HB3 0.04 0.06 -0.15 -0.04 2.98 2.88 2f33A1 TYR 30 HD2 0.12 -0.05 -0.75 -0.04 7.15 6.42 2f33A1 TYR 30 HE2 0.07 -0.08 0.00 -0.04 6.85 6.80 2f33A1 LEU 31 H -0.38 0.50 0.23 -0.55 8.37 8.17 2f33A1 LEU 31 HA -0.39 -0.03 0.43 -0.75 4.35 3.60 2f33A1 LEU 31 HB2 -0.37 0.06 0.14 -0.04 1.64 1.43 2f33A1 LEU 31 HB3 -0.09 0.10 -0.03 -0.04 1.64 1.58 2f33A1 LEU 31 HG 0.11 -0.01 -0.05 -0.04 1.64 1.64 2f33A1 LEU 31 HD13 -0.07 0.02 -0.24 -0.04 0.93 0.60 2f33A1 LEU 31 HD23 -1.08 0.04 -0.08 -0.04 0.89 -0.27 2f33A1 GLU 32 H -0.09 -0.01 0.13 -0.55 8.60 8.09 2f33A1 GLU 32 HA -0.01 0.25 0.60 -0.75 4.29 4.38 2f33A1 GLU 32 HB2 -0.04 -0.03 0.23 -0.04 2.09 2.21 2f33A1 GLU 32 HB3 -0.03 -0.30 0.24 -0.04 1.99 1.87 2f33A1 GLU 32 HG2 -0.01 0.15 0.15 -0.04 2.34 2.59 2f33A1 GLU 32 HG3 -0.02 0.03 0.08 -0.04 2.34 2.39 2f33A1 GLY 33 H -0.01 -0.00 0.29 -0.55 8.43 8.17 2f33A1 GLY 33 HA2 0.02 0.35 0.76 -0.51 4.01 4.62 2f33A1 GLY 33 HA3 0.01 0.29 0.70 -0.51 4.01 4.50 2f33A1 LYS 34 H -0.01 0.21 0.26 -0.55 8.42 8.32 2f33A1 LYS 34 HA -0.02 0.16 0.47 -0.75 4.32 4.18 2f33A1 LYS 34 HB2 -0.01 0.07 0.23 -0.04 1.87 2.11 2f33A1 LYS 34 HB3 -0.02 0.02 0.09 -0.04 1.79 1.84 2f33A1 LYS 34 HG2 -0.02 0.01 0.09 -0.04 1.46 1.51 2f33A1 LYS 34 HG3 -0.01 0.06 0.06 -0.04 1.46 1.53 2f33A1 LYS 34 HD2 -0.01 0.06 -0.00 -0.04 1.69 1.69 2f33A1 LYS 34 HD3 -0.02 -0.01 -0.04 -0.04 1.68 1.57 2f33A1 LYS 34 HE2 -0.02 -0.05 -0.14 -0.04 2.99 2.73 2f33A1 LYS 34 HE3 -0.02 -0.02 -0.05 -0.04 2.99 2.86 2f33A1 GLU 35 H -0.03 0.10 -0.10 -0.55 8.60 8.02 2f33A1 GLU 35 HA -0.04 0.12 0.35 -0.75 4.29 3.96 2f33A1 GLU 35 HB2 -0.05 -0.17 0.05 -0.04 2.09 1.88 2f33A1 GLU 35 HB3 -0.01 0.10 -0.00 -0.04 1.99 2.04 2f33A1 GLU 35 HG2 -0.03 -0.02 0.30 -0.04 2.34 2.54 2f33A1 GLU 35 HG3 -0.01 0.10 0.21 -0.04 2.34 2.59 2f33A1 LEU 36 H -0.05 0.12 -1.46 -0.55 8.37 6.43 2f33A1 LEU 36 HA -0.16 -0.03 0.52 -0.75 4.35 3.93 2f33A1 LEU 36 HB2 -0.02 0.26 0.10 -0.04 1.64 1.94 2f33A1 LEU 36 HB3 0.02 0.13 -0.04 -0.04 1.64 1.71 2f33A1 LEU 36 HG 0.01 -0.14 0.01 -0.04 1.64 1.48 2f33A1 LEU 36 HD13 -0.04 0.12 -0.13 -0.04 0.93 0.84 2f33A1 LEU 36 HD23 -0.27 -0.00 -0.07 -0.04 0.89 0.50 2f33A1 GLN 37 H -0.04 0.34 0.03 -0.55 8.47 8.26 2f33A1 GLN 37 HA -0.02 0.07 0.47 -0.75 4.36 4.13 2f33A1 GLN 37 HB2 -0.01 0.06 0.04 -0.04 2.15 2.20 2f33A1 GLN 37 HB3 -0.02 -0.03 0.20 -0.04 2.02 2.12 2f33A1 GLN 37 HG2 -0.02 -0.05 -0.13 -0.04 2.40 2.16 2f33A1 GLN 37 HG3 -0.01 0.01 0.13 -0.04 2.39 2.48 2f33A1 GLN 37 HE21 -0.01 -0.11 0.08 -0.04 6.97 6.90 2f33A1 GLN 37 HE22 -0.01 0.66 0.22 -0.04 7.69 8.52 2f33A1 ASN 38 H -0.08 0.62 -0.26 -0.55 8.53 8.25 2f33A1 ASN 38 HA -0.06 0.11 0.52 -0.75 4.76 4.58 2f33A1 ASN 38 HB2 -0.05 -0.01 -0.10 -0.04 2.88 2.69 2f33A1 ASN 38 HB3 -0.07 0.05 0.02 -0.04 2.79 2.74 2f33A1 ASN 38 HD21 -0.02 0.01 -0.04 -0.04 7.03 6.94 2f33A1 ASN 38 HD22 -0.03 0.01 -0.01 -0.04 7.74 7.67 2f33A1 LEU 39 H -0.29 0.56 -0.19 -0.55 8.37 7.89 2f33A1 LEU 39 HA -0.61 0.06 0.58 -0.75 4.35 3.63 2f33A1 LEU 39 HB2 -4.54 -0.06 0.08 -0.04 1.64 -2.93 2f33A1 LEU 39 HB3 -1.24 0.37 0.22 -0.04 1.64 0.95 2f33A1 LEU 39 HG -0.31 -0.07 0.19 -0.04 1.64 1.41 2f33A1 LEU 39 HD13 -0.30 -0.03 -0.35 -0.04 0.93 0.21 2f33A1 LEU 39 HD23 -0.22 -0.01 -0.05 -0.04 0.89 0.57 2f33A1 ILE 40 H -0.20 0.68 0.07 -0.55 8.25 8.24 2f33A1 ILE 40 HA 0.00 -0.03 0.29 -0.75 4.18 3.69 2f33A1 ILE 40 HB 0.00 0.77 0.23 -0.04 1.89 2.85 2f33A1 ILE 40 HG12 0.29 0.04 -0.35 -0.04 1.49 1.43 2f33A1 ILE 40 HG13 0.33 -0.12 -0.08 -0.04 1.21 1.30 2f33A1 ILE 40 HG23 0.05 -0.04 -0.18 -0.04 0.93 0.71 2f33A1 ILE 40 HD13 0.20 -0.02 -0.09 -0.04 0.88 0.93 2f33A1 GLN 41 H -0.08 0.14 -1.13 -0.55 8.47 6.85 2f33A1 GLN 41 HA -0.01 0.04 0.41 -0.75 4.36 4.05 2f33A1 GLN 41 HB2 -0.03 0.34 0.17 -0.04 2.15 2.60 2f33A1 GLN 41 HB3 -0.04 0.13 0.06 -0.04 2.02 2.13 2f33A1 GLN 41 HG2 -0.01 -0.06 -0.12 -0.04 2.40 2.17 2f33A1 GLN 41 HG3 -0.01 -0.04 0.06 -0.04 2.39 2.36 2f33A1 GLN 41 HE21 -0.01 -0.00 0.01 -0.04 6.97 6.93 2f33A1 GLN 41 HE22 -0.01 -0.04 -0.01 -0.04 7.69 7.59 2f33A1 GLU 42 H -0.06 0.52 -0.30 -0.55 8.60 8.21 2f33A1 GLU 42 HA 0.02 0.08 0.59 -0.75 4.29 4.23 2f33A1 GLU 42 HB2 0.01 0.14 0.18 -0.04 2.09 2.38 2f33A1 GLU 42 HB3 0.09 0.06 0.10 -0.04 1.99 2.20 2f33A1 GLU 42 HG2 0.15 -0.06 0.02 -0.04 2.34 2.41 2f33A1 GLU 42 HG3 0.10 -0.10 0.06 -0.04 2.34 2.36 2f33A1 LEU 43 H -0.01 0.37 -0.29 -0.55 8.37 7.90 2f33A1 LEU 43 HA 0.05 0.05 0.41 -0.75 4.35 4.11 2f33A1 LEU 43 HB2 -0.00 0.02 0.00 -0.04 1.64 1.62 2f33A1 LEU 43 HB3 0.03 0.13 0.10 -0.04 1.64 1.86 2f33A1 LEU 43 HG 0.01 -0.05 -0.16 -0.04 1.64 1.40 2f33A1 LEU 43 HD13 0.03 0.00 -0.08 -0.04 0.93 0.84 2f33A1 LEU 43 HD23 -0.04 0.04 -0.09 -0.04 0.89 0.75 2f33A1 LEU 44 H 0.02 0.59 -0.06 -0.55 8.37 8.37 2f33A1 LEU 44 HA 0.02 -0.00 0.33 -0.75 4.35 3.94 2f33A1 LEU 44 HB2 0.01 0.09 -0.06 -0.04 1.64 1.64 2f33A1 LEU 44 HB3 0.02 -0.05 0.10 -0.04 1.64 1.67 2f33A1 LEU 44 HG 0.03 0.04 0.11 -0.04 1.64 1.77 2f33A1 LEU 44 HD13 0.01 0.07 0.00 -0.04 0.93 0.98 2f33A1 LEU 44 HD23 0.03 -0.01 -0.00 -0.04 0.89 0.86 2f33A1 GLN 45 H 0.02 0.09 -1.13 -0.55 8.47 6.90 2f33A1 GLN 45 HA 0.02 0.09 0.58 -0.75 4.36 4.29 2f33A1 GLN 45 HB2 0.02 0.10 0.18 -0.04 2.15 2.42 2f33A1 GLN 45 HB3 0.03 -0.03 -0.04 -0.04 2.02 1.94 2f33A1 GLN 45 HG2 0.02 -0.05 0.03 -0.04 2.40 2.36 2f33A1 GLN 45 HG3 0.01 0.02 -0.00 -0.04 2.39 2.38 2f33A1 GLN 45 HE21 0.01 0.01 -0.01 -0.04 6.97 6.94 2f33A1 GLN 45 HE22 0.01 -0.04 -0.04 -0.04 7.69 7.58 2f33A1 ALA 46 H 0.04 0.53 -0.04 -0.55 8.40 8.38 2f33A1 ALA 46 HA 0.03 -0.01 0.44 -0.75 4.34 4.05 2f33A1 ALA 46 HB3 0.05 0.02 0.02 -0.04 1.41 1.46 2f33A1 ARG 47 H 0.02 0.30 -0.58 -0.55 8.46 7.66 2f33A1 ARG 47 HA 0.02 0.06 0.59 -0.75 4.34 4.25 2f33A1 ARG 47 HB2 0.02 -0.09 0.03 -0.04 1.90 1.82 2f33A1 ARG 47 HB3 0.01 0.38 -0.15 -0.04 1.80 2.00 2f33A1 ARG 47 HG2 0.02 -0.06 -0.17 -0.04 1.67 1.41 2f33A1 ARG 47 HG3 0.01 -0.26 -0.09 -0.04 1.67 1.29 2f33A1 ARG 47 HD2 0.01 -0.16 0.09 -0.04 3.22 3.11 2f33A1 ARG 47 HD3 0.01 0.17 -0.39 -0.04 3.22 2.97 2f33A1 LYS 48 H 0.01 0.38 -0.09 -0.55 8.42 8.17 2f33A1 LYS 48 HA 0.01 0.02 0.32 -0.75 4.32 3.91 2f33A1 LYS 48 HB2 0.01 0.05 0.17 -0.04 1.87 2.06 2f33A1 LYS 48 HB3 0.01 -0.01 0.17 -0.04 1.79 1.93 2f33A1 LYS 48 HG2 0.01 0.01 0.02 -0.04 1.46 1.45 2f33A1 LYS 48 HG3 0.01 -0.04 0.02 -0.04 1.46 1.40 2f33A1 LYS 48 HD2 0.01 0.01 -0.05 -0.04 1.69 1.62 2f33A1 LYS 48 HD3 0.01 -0.01 -0.08 -0.04 1.68 1.56 2f33A1 LYS 48 HE2 0.01 -0.00 -0.01 -0.04 2.99 2.94 2f33A1 LYS 48 HE3 0.01 -0.01 -0.02 -0.04 2.99 2.92 2f33A1 LYS 49 H 0.01 0.81 -0.17 -0.55 8.42 8.52 2f33A1 LYS 49 HA 0.01 0.07 0.57 -0.75 4.32 4.21 2f33A1 LYS 49 HB2 0.02 0.31 0.12 -0.04 1.87 2.28 2f33A1 LYS 49 HB3 0.01 -0.02 -0.08 -0.04 1.79 1.66 2f33A1 LYS 49 HG2 0.01 -0.02 0.01 -0.04 1.46 1.42 2f33A1 LYS 49 HG3 0.01 -0.02 -0.01 -0.04 1.46 1.39 2f33A1 LYS 49 HD2 0.02 -0.04 -0.06 -0.04 1.69 1.57 2f33A1 LYS 49 HD3 0.01 -0.04 -0.03 -0.04 1.68 1.59 2f33A1 LYS 49 HE2 0.02 0.08 -0.01 -0.04 2.99 3.04 2f33A1 LYS 49 HE3 0.02 -0.06 -0.04 -0.04 2.99 2.88 2f33A1 ALA 50 H 0.01 0.34 -0.19 -0.55 8.40 8.02 2f33A1 ALA 50 HA 0.01 0.04 0.51 -0.75 4.34 4.14 2f33A1 ALA 50 HB3 0.01 0.22 0.24 -0.04 1.41 1.84 2f33A1 GLY 51 H 0.01 0.03 -1.18 -0.55 8.43 6.74 2f33A1 GLY 51 HA2 0.01 0.02 0.18 -0.51 4.01 3.70 2f33A1 GLY 51 HA3 0.01 0.03 0.50 -0.51 4.01 4.04 2f33A1 LEU 52 H 0.01 0.75 0.03 -0.55 8.37 8.61 2f33A1 LEU 52 HA 0.01 0.09 1.00 -0.75 4.35 4.69 2f33A1 LEU 52 HB2 0.01 -0.08 0.06 -0.04 1.64 1.59 2f33A1 LEU 52 HB3 0.01 -0.04 0.02 -0.04 1.64 1.58 2f33A1 LEU 52 HG 0.01 0.11 -0.33 -0.04 1.64 1.39 2f33A1 LEU 52 HD13 0.01 0.05 0.02 -0.04 0.93 0.97 2f33A1 LEU 52 HD23 0.01 0.01 -0.13 -0.04 0.89 0.73 2f33A1 GLU 53 H 0.01 0.11 0.06 -0.55 8.60 8.22 2f33A1 GLU 53 HA 0.01 0.05 0.27 -0.75 4.29 3.87 2f33A1 GLU 53 HB2 0.00 -0.01 -0.08 -0.04 2.09 1.96 2f33A1 GLU 53 HB3 0.01 -0.01 0.05 -0.04 1.99 2.00 2f33A1 GLU 53 HG2 0.00 -0.00 0.01 -0.04 2.34 2.31 2f33A1 GLU 53 HG3 0.00 0.04 0.00 -0.04 2.34 2.35 2f33A1 LEU 54 H 0.01 0.10 0.12 -0.55 8.37 8.05 2f33A1 LEU 54 HA 0.01 0.14 0.57 -0.75 4.35 4.32 2f33A1 LEU 54 HB2 0.02 0.07 0.12 -0.04 1.64 1.80 2f33A1 LEU 54 HB3 0.02 -0.01 0.10 -0.04 1.64 1.70 2f33A1 LEU 54 HG 0.03 -0.18 -0.13 -0.04 1.64 1.33 2f33A1 LEU 54 HD13 0.02 -0.00 -0.26 -0.04 0.93 0.64 2f33A1 LEU 54 HD23 0.03 0.01 -0.22 -0.04 0.89 0.67 2f33A1 SER 55 H 0.01 0.18 0.19 -0.55 8.46 8.29 2f33A1 SER 55 HA 0.00 0.22 0.42 -0.75 4.49 4.38 2f33A1 SER 55 HB2 -0.01 0.16 0.15 -0.04 3.95 4.21 2f33A1 SER 55 HB3 -0.01 -0.11 0.15 -0.04 3.93 3.93 2f33A1 PRO 56 HA 0.01 0.12 0.35 -0.51 4.44 4.41 2f33A1 PRO 56 HB2 -0.01 0.03 0.01 -0.04 2.28 2.27 2f33A1 PRO 56 HB3 -0.00 0.07 0.09 -0.04 2.02 2.14 2f33A1 PRO 56 HG2 -0.01 0.07 0.09 -0.04 2.03 2.14 2f33A1 PRO 56 HG3 -0.00 0.09 0.11 -0.04 2.03 2.19 2f33A1 PRO 56 HD2 -0.01 0.10 0.22 -0.04 3.68 3.95 2f33A1 PRO 56 HD3 -0.00 0.23 0.22 -0.04 3.65 4.06 2f33A1 GLU 57 H 0.00 0.12 -0.46 -0.55 8.60 7.72 2f33A1 GLU 57 HA 0.05 0.11 0.50 -0.75 4.29 4.20 2f33A1 GLU 57 HB2 -0.02 -0.03 0.05 -0.04 2.09 2.05 2f33A1 GLU 57 HB3 -0.01 0.21 -0.03 -0.04 1.99 2.12 2f33A1 GLU 57 HG2 -0.09 0.11 -0.07 -0.04 2.34 2.25 2f33A1 GLU 57 HG3 0.03 -0.05 0.05 -0.04 2.34 2.33 2f33A1 MET 58 H 0.03 0.22 -0.12 -0.55 8.47 8.05 2f33A1 MET 58 HA 0.10 0.13 0.62 -0.75 4.52 4.62 2f33A1 MET 58 HB2 0.03 -0.03 -0.01 -0.04 2.15 2.10 2f33A1 MET 58 HB3 0.01 0.03 0.01 -0.04 2.03 2.04 2f33A1 MET 58 HG2 -0.02 0.34 0.12 -0.04 2.63 3.03 2f33A1 MET 58 HG3 0.01 -0.12 0.25 -0.04 2.56 2.65 2f33A1 MET 58 HE3 -0.02 0.06 0.05 -0.04 2.10 2.15 2f33A1 LYS 59 H 0.04 0.85 -0.07 -0.55 8.42 8.69 2f33A1 LYS 59 HA 0.04 0.06 0.34 -0.75 4.32 4.01 2f33A1 LYS 59 HB2 0.02 0.00 -0.00 -0.04 1.87 1.85 2f33A1 LYS 59 HB3 0.02 -0.00 -0.04 -0.04 1.79 1.73 2f33A1 LYS 59 HG2 0.02 -0.04 -0.03 -0.04 1.46 1.38 2f33A1 LYS 59 HG3 0.01 0.01 -0.12 -0.04 1.46 1.33 2f33A1 LYS 59 HD2 0.01 0.04 -0.11 -0.04 1.69 1.59 2f33A1 LYS 59 HD3 0.01 -0.11 -0.70 -0.04 1.68 0.84 2f33A1 LYS 59 HE2 0.00 -0.08 -0.00 -0.04 2.99 2.87 2f33A1 LYS 59 HE3 0.01 -0.01 -0.04 -0.04 2.99 2.90 2f33A1 THR 60 H 0.06 0.35 -0.58 -0.55 8.28 7.56 2f33A1 THR 60 HA 0.02 0.07 0.65 -0.75 4.39 4.37 2f33A1 THR 60 HB 0.04 0.05 0.26 -0.04 4.32 4.64 2f33A1 THR 60 HG23 -0.02 -0.03 -0.08 -0.04 1.22 1.04 2f33A1 PHE 61 H 0.22 0.55 -0.31 -0.55 8.34 8.24 2f33A1 PHE 61 HA 0.19 -0.04 0.41 -0.75 4.62 4.42 2f33A1 PHE 61 HB2 0.10 0.40 0.33 -0.04 3.15 3.93 2f33A1 PHE 61 HB3 0.09 -0.01 0.16 -0.04 3.06 3.26 2f33A1 PHE 61 HD2 0.16 0.01 -0.05 -0.04 7.28 7.36 2f33A1 PHE 61 HE2 -0.03 -0.01 -0.05 -0.04 7.38 7.25 2f33A1 PHE 61 HZ -0.39 -0.10 -0.21 -0.04 7.32 6.58 2f33A1 VAL 62 H 0.18 0.45 -0.80 -0.55 8.24 7.51 2f33A1 VAL 62 HA 0.13 0.00 0.49 -0.75 4.13 4.00 2f33A1 VAL 62 HB 0.06 0.18 0.12 -0.04 2.12 2.44 2f33A1 VAL 62 HG13 0.03 -0.02 -0.08 -0.04 0.97 0.86 2f33A1 VAL 62 HG23 0.10 0.00 -0.03 -0.04 0.95 0.97 2f33A1 ASP 63 H 0.03 0.18 -0.09 -0.55 8.40 7.97 2f33A1 ASP 63 HA -0.01 0.05 0.50 -0.75 4.63 4.41 2f33A1 ASP 63 HB2 0.00 0.15 0.25 -0.04 2.71 3.07 2f33A1 ASP 63 HB3 -0.03 -0.03 0.04 -0.04 2.70 2.64 2f33A1 GLN 64 H -0.07 1.53 0.05 -0.55 8.47 9.43 2f33A1 GLN 64 HA -0.19 0.07 0.50 -0.75 4.36 3.99 2f33A1 GLN 64 HB2 -0.20 0.15 -0.04 -0.04 2.15 2.02 2f33A1 GLN 64 HB3 -0.71 -0.02 -0.07 -0.04 2.02 1.19 2f33A1 GLN 64 HG2 -0.33 -0.02 -0.04 -0.04 2.40 1.97 2f33A1 GLN 64 HG3 -0.17 0.00 -0.03 -0.04 2.39 2.15 2f33A1 GLN 64 HE21 -0.28 -0.00 -0.06 -0.04 6.97 6.59 2f33A1 GLN 64 HE22 -0.08 -0.02 -0.06 -0.04 7.69 7.50 2f33A1 TYR 65 H -0.18 0.61 -0.04 -0.55 8.29 8.13 2f33A1 TYR 65 HA -0.17 0.04 0.60 -0.75 4.56 4.28 2f33A1 TYR 65 HB2 -0.42 0.59 0.23 -0.04 3.06 3.42 2f33A1 TYR 65 HB3 -0.18 -0.10 0.04 -0.04 2.98 2.69 2f33A1 TYR 65 HD2 -1.30 0.01 0.06 -0.04 7.15 5.88 2f33A1 TYR 65 HE2 -0.37 0.02 -0.04 -0.04 6.85 6.42 2f33A1 GLY 66 H -0.00 0.34 -0.45 -0.55 8.43 7.77 2f33A1 GLY 66 HA2 0.02 -0.05 0.34 -0.51 4.01 3.81 2f33A1 GLY 66 HA3 0.01 0.26 0.38 -0.51 4.01 4.15 2f33A1 GLN 67 H -0.02 0.02 -1.21 -0.55 8.47 6.72 2f33A1 GLN 67 HA -0.01 0.16 0.84 -0.75 4.36 4.60 2f33A1 GLN 67 HB2 -0.04 0.14 -0.09 -0.04 2.15 2.11 2f33A1 GLN 67 HB3 -0.03 -0.05 0.08 -0.04 2.02 1.97 2f33A1 GLN 67 HG2 -0.02 -0.07 0.06 -0.04 2.40 2.34 2f33A1 GLN 67 HG3 -0.02 0.13 -0.15 -0.04 2.39 2.31 2f33A1 GLN 67 HE21 -0.02 0.03 -0.13 -0.04 6.97 6.81 2f33A1 GLN 67 HE22 -0.02 -0.02 -0.02 -0.04 7.69 7.58 2f33A1 ARG 68 H 0.02 0.54 -0.19 -0.55 8.46 8.28 2f33A1 ARG 68 HA 0.01 0.11 0.46 -0.75 4.34 4.16 2f33A1 ARG 68 HB2 0.21 0.06 0.24 -0.04 1.90 2.36 2f33A1 ARG 68 HB3 0.17 -0.01 0.14 -0.04 1.80 2.05 2f33A1 ARG 68 HG2 0.29 -0.02 -0.02 -0.04 1.67 1.88 2f33A1 ARG 68 HG3 0.04 -0.02 0.01 -0.04 1.67 1.66 2f33A1 ARG 68 HD2 -0.16 0.10 0.02 -0.04 3.22 3.15 2f33A1 ARG 68 HD3 -0.67 -0.07 -0.17 -0.04 3.22 2.26 2f33A1 ASP 69 H 0.00 0.41 -0.99 -0.55 8.40 7.28 2f33A1 ASP 69 HA 0.00 -0.25 -0.02 -0.75 4.63 3.60 2f33A1 ASP 69 HB2 -0.00 0.10 -0.03 -0.04 2.71 2.74 2f33A1 ASP 69 HB3 -0.00 0.07 0.03 -0.04 2.70 2.75 2f33A1 ASP 70 H 0.00 0.21 -0.22 -0.55 8.40 7.85 2f33A1 ASP 70 HA 0.00 0.11 0.62 -0.75 4.63 4.61 2f33A1 ASP 70 HB2 -0.00 0.03 0.05 -0.04 2.71 2.75 2f33A1 ASP 70 HB3 -0.00 0.02 0.17 -0.04 2.70 2.84 2f33A1 GLY 71 H 0.02 0.37 -1.00 -0.55 8.43 7.27 2f33A1 GLY 71 HA2 0.03 0.15 0.85 -0.51 4.01 4.53 2f33A1 GLY 71 HA3 0.07 -0.04 0.26 -0.51 4.01 3.78 2f33A1 LYS 72 H 0.08 0.18 0.16 -0.55 8.42 8.28 2f33A1 LYS 72 HA 0.05 0.32 0.61 -0.75 4.32 4.55 2f33A1 LYS 72 HB2 0.01 -0.01 -0.19 -0.04 1.87 1.65 2f33A1 LYS 72 HB3 0.00 -0.06 -0.06 -0.04 1.79 1.63 2f33A1 LYS 72 HG2 0.04 -0.11 -0.23 -0.04 1.46 1.12 2f33A1 LYS 72 HG3 0.14 0.34 0.05 -0.04 1.46 1.96 2f33A1 LYS 72 HD2 0.09 -0.02 -0.23 -0.04 1.69 1.49 2f33A1 LYS 72 HD3 0.01 -0.07 -0.14 -0.04 1.68 1.43 2f33A1 LYS 72 HE2 -0.06 -0.02 -0.09 -0.04 2.99 2.77 2f33A1 LYS 72 HE3 -0.18 -0.04 -0.12 -0.04 2.99 2.61 2f33A1 ILE 73 H 0.15 0.55 0.21 -0.55 8.25 8.61 2f33A1 ILE 73 HA 0.26 0.12 0.98 -0.75 4.18 4.78 2f33A1 ILE 73 HB 0.23 -0.10 0.08 -0.04 1.89 2.05 2f33A1 ILE 73 HG12 0.09 0.06 0.04 -0.04 1.49 1.63 2f33A1 ILE 73 HG13 0.53 -0.03 -0.10 -0.04 1.21 1.57 2f33A1 ILE 73 HG23 -0.40 -0.00 -0.30 -0.04 0.93 0.19 2f33A1 ILE 73 HD13 0.37 -0.01 -0.10 -0.04 0.88 1.10 2f33A1 GLY 74 H 0.36 0.05 0.20 -0.55 8.43 8.50 2f33A1 GLY 74 HA2 -0.33 0.24 0.82 -0.51 4.01 4.23 2f33A1 GLY 74 HA3 0.10 0.22 0.54 -0.51 4.01 4.36 2f33A1 ILE 75 H -0.16 0.50 0.27 -0.55 8.25 8.30 2f33A1 ILE 75 HA -0.91 0.07 0.37 -0.75 4.18 2.96 2f33A1 ILE 75 HB 0.05 -0.01 -0.11 -0.04 1.89 1.78 2f33A1 ILE 75 HG12 -0.20 0.05 0.08 -0.04 1.49 1.38 2f33A1 ILE 75 HG13 -0.26 0.03 -0.02 -0.04 1.21 0.92 2f33A1 ILE 75 HG23 0.03 -0.01 -0.07 -0.04 0.93 0.84 2f33A1 ILE 75 HD13 -0.29 0.02 -0.03 -0.04 0.88 0.55 2f33A1 VAL 76 H 0.09 0.36 0.06 -0.55 8.24 8.20 2f33A1 VAL 76 HA -0.57 0.02 0.36 -0.75 4.13 3.19 2f33A1 VAL 76 HB 0.18 0.31 0.18 -0.04 2.12 2.75 2f33A1 VAL 76 HG13 0.04 -0.02 -0.16 -0.04 0.97 0.79 2f33A1 VAL 76 HG23 -0.12 -0.01 -0.20 -0.04 0.95 0.58 2f33A1 GLU 77 H -0.02 0.12 -0.27 -0.55 8.60 7.88 2f33A1 GLU 77 HA 0.07 0.08 0.34 -0.75 4.29 4.02 2f33A1 GLU 77 HB2 0.22 0.01 0.13 -0.04 2.09 2.41 2f33A1 GLU 77 HB3 0.34 0.07 -0.04 -0.04 1.99 2.32 2f33A1 GLU 77 HG2 0.33 0.08 0.04 -0.04 2.34 2.75 2f33A1 GLU 77 HG3 0.24 -0.01 0.03 -0.04 2.34 2.57 2f33A1 LEU 78 H -0.01 0.37 -0.26 -0.55 8.37 7.93 2f33A1 LEU 78 HA -0.39 0.08 0.59 -0.75 4.35 3.88 2f33A1 LEU 78 HB2 0.63 0.01 0.01 -0.04 1.64 2.24 2f33A1 LEU 78 HB3 0.20 0.08 -0.04 -0.04 1.64 1.84 2f33A1 LEU 78 HG -0.00 -0.05 0.07 -0.04 1.64 1.62 2f33A1 LEU 78 HD13 0.66 -0.01 -0.05 -0.04 0.93 1.50 2f33A1 LEU 78 HD23 0.48 -0.01 -0.10 -0.04 0.89 1.22 2f33A1 ALA 79 H -0.70 0.51 -0.19 -0.55 8.40 7.48 2f33A1 ALA 79 HA -3.48 -0.04 0.34 -0.75 4.34 0.41 2f33A1 ALA 79 HB3 -2.04 0.02 0.02 -0.04 1.41 -0.63 2f33A1 HIS 80 H -1.03 0.47 -0.17 -0.55 8.41 7.13 2f33A1 HIS 80 HA -0.45 0.08 0.62 -0.75 4.63 4.12 2f33A1 HIS 80 HB2 -0.22 -0.03 0.02 -0.04 3.26 3.00 2f33A1 HIS 80 HB3 -0.38 -0.09 -0.02 -0.04 3.20 2.67 2f33A1 HIS 80 HD2 -0.15 -0.07 -0.07 -0.04 6.97 6.63 2f33A1 HIS 80 HE1 0.18 -0.08 0.03 -0.04 7.75 7.83 2f33A1 VAL 81 H -0.33 0.14 -0.49 -0.55 8.24 7.01 2f33A1 VAL 81 HA -0.14 -0.02 0.33 -0.75 4.13 3.55 2f33A1 VAL 81 HB -1.31 0.16 0.16 -0.04 2.12 1.09 2f33A1 VAL 81 HG13 -0.41 0.12 0.06 -0.04 0.97 0.69 2f33A1 VAL 81 HG23 -0.59 -0.03 -0.04 -0.04 0.95 0.25 2f33A1 LEU 82 H -0.29 0.33 -0.21 -0.55 8.37 7.66 2f33A1 LEU 82 HA -0.08 0.16 0.72 -0.75 4.35 4.39 2f33A1 LEU 82 HB2 -0.03 0.10 0.04 -0.04 1.64 1.71 2f33A1 LEU 82 HB3 -0.01 -0.05 0.04 -0.04 1.64 1.58 2f33A1 LEU 82 HG -0.15 0.15 0.11 -0.04 1.64 1.71 2f33A1 LEU 82 HD13 -0.38 -0.06 0.07 -0.04 0.93 0.52 2f33A1 LEU 82 HD23 0.22 -0.03 -0.01 -0.04 0.89 1.02 2f33A1 PRO 83 HA -0.09 0.05 0.44 -0.51 4.44 4.33 2f33A1 PRO 83 HB2 -0.02 0.04 0.15 -0.04 2.28 2.41 2f33A1 PRO 83 HB3 -0.04 -0.04 0.10 -0.04 2.02 2.00 2f33A1 PRO 83 HG2 -0.01 0.09 0.07 -0.04 2.03 2.14 2f33A1 PRO 83 HG3 -0.03 -0.01 0.07 -0.04 2.03 2.02 2f33A1 PRO 83 HD2 -0.01 0.35 0.18 -0.04 3.68 4.16 2f33A1 PRO 83 HD3 -0.03 0.07 0.27 -0.04 3.65 3.92 2f33A1 THR 84 H -0.19 0.81 -0.31 -0.55 8.28 8.04 2f33A1 THR 84 HA -0.01 -0.20 0.65 -0.75 4.39 4.08 2f33A1 THR 84 HB -0.37 0.29 0.16 -0.04 4.32 4.36 2f33A1 THR 84 HG23 -0.15 -0.06 -0.28 -0.04 1.22 0.69 2f33A1 GLU 85 H -0.19 0.22 -0.15 -0.55 8.60 7.93 2f33A1 GLU 85 HA 0.02 0.12 0.40 -0.75 4.29 4.08 2f33A1 GLU 85 HB2 0.19 0.11 -0.39 -0.04 2.09 1.96 2f33A1 GLU 85 HB3 0.18 -0.34 0.16 -0.04 1.99 1.95 2f33A1 GLU 85 HG2 0.16 0.55 0.06 -0.04 2.34 3.06 2f33A1 GLU 85 HG3 0.44 -0.04 -0.03 -0.04 2.34 2.67 2f33A1 GLU 86 H -0.05 0.30 -0.00 -0.55 8.60 8.30 2f33A1 GLU 86 HA -0.09 0.13 0.32 -0.75 4.29 3.89 2f33A1 GLU 86 HB2 -0.04 0.06 0.11 -0.04 2.09 2.18 2f33A1 GLU 86 HB3 -0.02 -0.01 0.01 -0.04 1.99 1.93 2f33A1 GLU 86 HG2 -0.03 -0.00 -0.00 -0.04 2.34 2.27 2f33A1 GLU 86 HG3 -0.05 0.04 0.06 -0.04 2.34 2.35 2f33A1 ASN 87 H 0.02 -0.01 -0.58 -0.55 8.53 7.41 2f33A1 ASN 87 HA 0.04 0.24 0.66 -0.75 4.76 4.95 2f33A1 ASN 87 HB2 0.08 -0.08 0.06 -0.04 2.88 2.89 2f33A1 ASN 87 HB3 0.06 0.02 0.01 -0.04 2.79 2.85 2f33A1 ASN 87 HD21 0.04 -0.01 -0.02 -0.04 7.03 7.00 2f33A1 ASN 87 HD22 0.02 0.08 -0.03 -0.04 7.74 7.77 2f33A1 PHE 88 H 0.18 0.08 -0.01 -0.55 8.34 8.04 2f33A1 PHE 88 HA 0.10 0.00 0.33 -0.75 4.62 4.29 2f33A1 PHE 88 HB2 0.06 -0.19 0.31 -0.04 3.15 3.29 2f33A1 PHE 88 HB3 0.01 -0.00 0.16 -0.04 3.06 3.19 2f33A1 PHE 88 HD2 -0.02 -0.00 0.00 -0.04 7.28 7.22 2f33A1 PHE 88 HE2 -1.32 -0.03 -0.12 -0.04 7.38 5.87 2f33A1 PHE 88 HZ -0.07 0.01 -0.10 -0.04 7.32 7.12 2f33A1 LEU 89 H -0.11 0.52 -0.59 -0.55 8.37 7.65 2f33A1 LEU 89 HA -0.34 0.03 0.45 -0.75 4.35 3.73 2f33A1 LEU 89 HB2 -0.17 0.14 -0.08 -0.04 1.64 1.49 2f33A1 LEU 89 HB3 -0.25 -0.03 -0.05 -0.04 1.64 1.28 2f33A1 LEU 89 HG -0.57 0.08 -0.14 -0.04 1.64 0.97 2f33A1 LEU 89 HD13 -0.30 -0.02 -0.41 -0.04 0.93 0.16 2f33A1 LEU 89 HD23 -1.31 -0.02 -0.32 -0.04 0.89 -0.80 2f33A1 LEU 90 H 0.03 0.47 -0.35 -0.55 8.37 7.97 2f33A1 LEU 90 HA 0.05 0.08 0.32 -0.75 4.35 4.04 2f33A1 LEU 90 HB2 0.07 0.27 0.24 -0.04 1.64 2.18 2f33A1 LEU 90 HB3 0.08 -0.06 -0.01 -0.04 1.64 1.62 2f33A1 LEU 90 HG 0.04 0.01 0.07 -0.04 1.64 1.72 2f33A1 LEU 90 HD13 0.05 0.01 0.06 -0.04 0.93 1.01 2f33A1 LEU 90 HD23 0.02 -0.01 0.06 -0.04 0.89 0.92 2f33A1 LEU 91 H 0.21 0.22 -0.44 -0.55 8.37 7.81 2f33A1 LEU 91 HA 0.16 0.16 0.64 -0.75 4.35 4.56 2f33A1 LEU 91 HB2 0.70 0.07 -0.06 -0.04 1.64 2.31 2f33A1 LEU 91 HB3 0.14 -0.02 0.07 -0.04 1.64 1.79 2f33A1 LEU 91 HG 0.29 0.04 -0.01 -0.04 1.64 1.91 2f33A1 LEU 91 HD13 0.12 -0.02 -0.07 -0.04 0.93 0.91 2f33A1 LEU 91 HD23 0.12 0.03 -0.30 -0.04 0.89 0.69 2f33A1 PHE 92 H 0.21 0.12 -0.29 -0.55 8.34 7.82 2f33A1 PHE 92 HA 0.00 0.02 0.40 -0.75 4.62 4.28 2f33A1 PHE 92 HB2 -0.68 0.06 0.25 -0.04 3.15 2.73 2f33A1 PHE 92 HB3 -0.36 0.09 0.15 -0.04 3.06 2.90 2f33A1 PHE 92 HD2 -1.41 0.05 -0.12 -0.04 7.28 5.76 2f33A1 PHE 92 HE2 -0.15 -0.11 -0.25 -0.04 7.38 6.83 2f33A1 PHE 92 HZ 0.16 0.01 -0.16 -0.04 7.32 7.30 2f33A1 ARG 93 H 0.11 0.89 -0.10 -0.55 8.46 8.80 2f33A1 ARG 93 HA 0.06 0.16 0.64 -0.75 4.34 4.44 2f33A1 ARG 93 HB2 0.07 -0.05 0.02 -0.04 1.90 1.90 2f33A1 ARG 93 HB3 0.09 -0.01 -0.01 -0.04 1.80 1.84 2f33A1 ARG 93 HG2 0.06 0.22 0.01 -0.04 1.67 1.92 2f33A1 ARG 93 HG3 0.05 -0.01 -0.09 -0.04 1.67 1.58 2f33A1 ARG 93 HD2 0.14 -0.06 -0.09 -0.04 3.22 3.18 2f33A1 ARG 93 HD3 -0.00 -0.01 -0.35 -0.04 3.22 2.82 2f33A1 CYS 94 H 0.09 0.23 -1.05 -0.55 8.50 7.22 2f33A1 CYS 94 HA 0.07 0.06 0.37 -0.75 4.58 4.33 2f33A1 CYS 94 HB2 0.12 -0.03 0.26 -0.04 2.97 3.27 2f33A1 CYS 94 HB3 0.09 0.27 0.13 -0.04 2.97 3.42 2f33A1 GLN 95 H -0.16 0.26 -0.69 -0.55 8.47 7.33 2f33A1 GLN 95 HA -0.91 0.04 0.58 -0.75 4.36 3.32 2f33A1 GLN 95 HB2 -0.54 -0.12 0.07 -0.04 2.15 1.53 2f33A1 GLN 95 HB3 -2.79 -0.04 0.09 -0.04 2.02 -0.76 2f33A1 GLN 95 HG2 -0.23 0.14 0.03 -0.04 2.40 2.30 2f33A1 GLN 95 HG3 -0.29 0.07 -0.65 -0.04 2.39 1.47 2f33A1 GLN 95 HE21 -0.14 0.17 0.03 -0.04 6.97 6.98 2f33A1 GLN 95 HE22 -0.01 -0.11 -0.00 -0.04 7.69 7.53 2f33A1 GLN 96 H -0.05 0.26 -0.16 -0.55 8.47 7.97 2f33A1 GLN 96 HA 0.08 0.02 0.58 -0.75 4.36 4.29 2f33A1 GLN 96 HB2 0.08 0.02 0.02 -0.04 2.15 2.23 2f33A1 GLN 96 HB3 0.07 -0.13 -0.04 -0.04 2.02 1.88 2f33A1 GLN 96 HG2 0.06 -0.01 -0.03 -0.04 2.40 2.38 2f33A1 GLN 96 HG3 0.04 0.29 0.16 -0.04 2.39 2.84 2f33A1 GLN 96 HE21 0.08 -0.00 -0.11 -0.04 6.97 6.90 2f33A1 GLN 96 HE22 0.07 0.04 -0.26 -0.04 7.69 7.50 2f33A1 LEU 97 H 0.05 0.39 -0.18 -0.55 8.37 8.08 2f33A1 LEU 97 HA 0.06 0.04 0.34 -0.75 4.35 4.03 2f33A1 LEU 97 HB2 0.06 -0.00 0.02 -0.04 1.64 1.68 2f33A1 LEU 97 HB3 0.06 0.05 -0.03 -0.04 1.64 1.68 2f33A1 LEU 97 HG 0.08 0.01 0.00 -0.04 1.64 1.69 2f33A1 LEU 97 HD13 0.11 -0.05 0.09 -0.04 0.93 1.04 2f33A1 LEU 97 HD23 0.07 -0.02 -0.26 -0.04 0.89 0.65 2f33A1 LYS 98 H 0.11 0.03 -0.22 -0.55 8.42 7.79 2f33A1 LYS 98 HA 0.07 0.28 0.99 -0.75 4.32 4.91 2f33A1 LYS 98 HB2 0.08 -0.02 -0.02 -0.04 1.87 1.87 2f33A1 LYS 98 HB3 0.07 0.06 -0.06 -0.04 1.79 1.82 2f33A1 LYS 98 HG2 0.10 0.06 -0.01 -0.04 1.46 1.57 2f33A1 LYS 98 HG3 0.14 -0.13 0.14 -0.04 1.46 1.57 2f33A1 LYS 98 HD2 0.13 -0.13 -0.06 -0.04 1.69 1.59 2f33A1 LYS 98 HD3 0.08 0.03 -0.07 -0.04 1.68 1.69 2f33A1 LYS 98 HE2 0.12 0.06 -0.03 -0.04 2.99 3.09 2f33A1 LYS 98 HE3 0.14 -0.06 -0.11 -0.04 2.99 2.92 2f33A1 SER 99 H 0.17 0.15 0.08 -0.55 8.46 8.31 2f33A1 SER 99 HA 0.13 0.18 0.66 -0.75 4.49 4.71 2f33A1 SER 99 HB2 0.12 0.04 -0.11 -0.04 3.95 3.96 2f33A1 SER 99 HB3 0.14 -0.44 0.02 -0.04 3.93 3.61 2f33A1 CYS 100 H 0.20 0.17 0.20 -0.55 8.50 8.51 2f33A1 CYS 100 HA 0.53 0.33 0.65 -0.75 4.58 5.34 2f33A1 CYS 100 HB2 0.27 -0.05 0.03 -0.04 2.97 3.17 2f33A1 CYS 100 HB3 0.21 0.06 0.20 -0.04 2.97 3.41 2f33A1 GLU 101 H 0.22 0.08 0.04 -0.55 8.60 8.40 2f33A1 GLU 101 HA 0.44 0.12 0.56 -0.75 4.29 4.65 2f33A1 GLU 101 HB2 0.09 0.05 0.00 -0.04 2.09 2.19 2f33A1 GLU 101 HB3 0.02 0.03 0.09 -0.04 1.99 2.09 2f33A1 GLU 101 HG2 0.51 -0.05 0.06 -0.04 2.34 2.81 2f33A1 GLU 101 HG3 0.29 -0.15 -0.00 -0.04 2.34 2.44 2f33A1 GLU 102 H 0.15 -0.04 -0.35 -0.55 8.60 7.81 2f33A1 GLU 102 HA 0.04 0.19 0.53 -0.75 4.29 4.29 2f33A1 GLU 102 HB2 0.08 -0.01 0.02 -0.04 2.09 2.14 2f33A1 GLU 102 HB3 0.14 0.01 0.05 -0.04 1.99 2.15 2f33A1 GLU 102 HG2 0.09 0.03 -0.10 -0.04 2.34 2.32 2f33A1 GLU 102 HG3 0.06 0.01 -0.01 -0.04 2.34 2.36 2f33A1 PHE 103 H 0.31 0.41 -0.01 -0.55 8.34 8.49 2f33A1 PHE 103 HA 0.14 0.06 0.37 -0.75 4.62 4.44 2f33A1 PHE 103 HB2 0.18 0.02 0.04 -0.04 3.15 3.34 2f33A1 PHE 103 HB3 0.13 0.25 0.34 -0.04 3.06 3.74 2f33A1 PHE 103 HD2 0.20 0.14 0.06 -0.04 7.28 7.64 2f33A1 PHE 103 HE2 0.10 -0.08 0.06 -0.04 7.38 7.41 2f33A1 PHE 103 HZ -0.03 -0.04 -0.14 -0.04 7.32 7.07 2f33A1 MET 104 H -1.33 0.25 -0.42 -0.55 8.47 6.42 2f33A1 MET 104 HA -0.45 -0.02 0.29 -0.75 4.52 3.58 2f33A1 MET 104 HB2 -1.06 0.07 0.06 -0.04 2.15 1.18 2f33A1 MET 104 HB3 -0.26 0.17 -0.06 -0.04 2.03 1.84 2f33A1 MET 104 HG2 -0.38 -0.03 -0.05 -0.04 2.63 2.13 2f33A1 MET 104 HG3 -0.60 -0.06 -0.03 -0.04 2.56 1.82 2f33A1 MET 104 HE3 0.17 0.04 -0.22 -0.04 2.10 2.05 2f33A1 LYS 105 H -0.09 0.29 -0.67 -0.55 8.42 7.39 2f33A1 LYS 105 HA -0.00 0.22 0.21 -0.75 4.32 3.99 2f33A1 LYS 105 HB2 -0.01 -0.11 0.24 -0.04 1.87 1.96 2f33A1 LYS 105 HB3 0.01 0.12 0.17 -0.04 1.79 2.06 2f33A1 LYS 105 HG2 -0.02 -0.10 -0.10 -0.04 1.46 1.20 2f33A1 LYS 105 HG3 -0.03 0.46 0.27 -0.04 1.46 2.12 2f33A1 LYS 105 HD2 -0.00 -0.05 0.09 -0.04 1.69 1.69 2f33A1 LYS 105 HD3 0.01 -0.06 0.03 -0.04 1.68 1.61 2f33A1 LYS 105 HE2 0.00 -0.05 -0.01 -0.04 2.99 2.89 2f33A1 LYS 105 HE3 -0.01 0.05 0.02 -0.04 2.99 3.01 2f33A1 THR 106 H 0.06 0.48 -0.23 -0.55 8.28 8.04 2f33A1 THR 106 HA -0.11 0.07 0.62 -0.75 4.39 4.21 2f33A1 THR 106 HB 0.22 0.16 0.14 -0.04 4.32 4.80 2f33A1 THR 106 HG23 0.21 -0.03 -0.07 -0.04 1.22 1.30 2f33A1 TRP 107 H 0.25 0.40 -0.18 -0.55 7.97 7.89 2f33A1 TRP 107 HA -0.21 -0.02 0.34 -0.75 4.62 3.97 2f33A1 TRP 107 HB2 0.64 -0.08 0.03 -0.04 3.23 3.78 2f33A1 TRP 107 HB3 0.12 0.03 0.15 -0.04 3.23 3.48 2f33A1 TRP 107 HD1 -0.11 0.30 0.03 -0.04 7.22 7.41 2f33A1 TRP 107 HE1 -0.01 0.05 -0.10 -0.04 10.20 10.10 2f33A1 TRP 107 HE3 0.59 -0.03 -0.07 -0.04 7.59 8.04 2f33A1 TRP 107 HZ2 0.12 0.22 -0.21 -0.04 7.44 7.53 2f33A1 TRP 107 HZ3 0.24 -0.01 -0.32 -0.04 7.13 7.00 2f33A1 TRP 107 HH2 0.21 0.08 0.19 -0.04 7.19 7.62 2f33A1 ARG 108 H -0.06 0.48 -0.29 -0.55 8.46 8.04 2f33A1 ARG 108 HA -1.05 -0.02 0.53 -0.75 4.34 3.04 2f33A1 ARG 108 HB2 -0.23 -0.09 0.07 -0.04 1.90 1.61 2f33A1 ARG 108 HB3 0.08 0.07 0.07 -0.04 1.80 1.99 2f33A1 ARG 108 HG2 -1.38 -0.12 -0.44 -0.04 1.67 -0.32 2f33A1 ARG 108 HG3 -0.65 0.32 0.12 -0.04 1.67 1.42 2f33A1 ARG 108 HD2 -0.26 0.11 0.33 -0.04 3.22 3.35 2f33A1 ARG 108 HD3 -0.22 -0.05 0.08 -0.04 3.22 2.99 2f33A1 LYS 109 H -0.73 0.32 -0.38 -0.55 8.42 7.08 2f33A1 LYS 109 HA -0.29 0.08 0.32 -0.75 4.32 3.68 2f33A1 LYS 109 HB2 -0.38 0.12 0.22 -0.04 1.87 1.79 2f33A1 LYS 109 HB3 -0.56 -0.03 0.10 -0.04 1.79 1.25 2f33A1 LYS 109 HG2 -0.10 -0.05 -0.06 -0.04 1.46 1.21 2f33A1 LYS 109 HG3 -0.12 0.00 0.08 -0.04 1.46 1.38 2f33A1 LYS 109 HD2 -0.07 0.04 0.03 -0.04 1.69 1.65 2f33A1 LYS 109 HD3 -0.07 0.01 0.05 -0.04 1.68 1.63 2f33A1 LYS 109 HE2 -0.01 -0.03 -0.01 -0.04 2.99 2.91 2f33A1 LYS 109 HE3 -0.02 -0.01 0.01 -0.04 2.99 2.92 2f33A1 TYR 110 H -1.87 0.29 -0.23 -0.55 8.29 5.92 2f33A1 TYR 110 HA -0.15 0.14 0.63 -0.75 4.56 4.44 2f33A1 TYR 110 HB2 -0.20 -0.07 -0.03 -0.04 3.06 2.72 2f33A1 TYR 110 HB3 -0.17 0.04 0.06 -0.04 2.98 2.87 2f33A1 TYR 110 HD2 -0.40 -0.07 -0.05 -0.04 7.15 6.59 2f33A1 TYR 110 HE2 -1.82 -0.05 0.06 -0.04 6.85 5.00 2f33A1 ASP 111 H -0.57 0.22 -0.65 -0.55 8.40 6.86 2f33A1 ASP 111 HA -0.23 -0.06 0.31 -0.75 4.63 3.89 2f33A1 ASP 111 HB2 -0.82 0.16 0.15 -0.04 2.71 2.16 2f33A1 ASP 111 HB3 -0.36 0.22 0.18 -0.04 2.70 2.70 2f33A1 THR 112 H -0.11 0.65 -0.88 -0.55 8.28 7.39 2f33A1 THR 112 HA -0.11 0.04 0.32 -0.75 4.39 3.89 2f33A1 THR 112 HB -0.15 0.13 0.13 -0.04 4.32 4.40 2f33A1 THR 112 HG23 -0.10 0.01 -0.01 -0.04 1.22 1.08 2f33A1 ASP 113 H -0.17 0.18 -0.04 -0.55 8.40 7.83 2f33A1 ASP 113 HA -0.56 0.03 0.25 -0.75 4.63 3.59 2f33A1 ASP 113 HB2 -0.24 -0.10 -0.26 -0.04 2.71 2.07 2f33A1 ASP 113 HB3 -0.28 0.15 0.01 -0.04 2.70 2.53 2f33A1 HIS 114 H -0.09 -0.17 -1.49 -0.55 8.41 6.11 2f33A1 HIS 114 HA -0.27 -0.11 0.25 -0.75 4.63 3.74 2f33A1 HIS 114 HB2 -0.08 -0.03 0.14 -0.04 3.26 3.25 2f33A1 HIS 114 HB3 -0.11 -0.08 0.01 -0.04 3.20 2.97 2f33A1 HIS 114 HD2 -0.01 -0.08 -0.03 -0.04 6.97 6.80 2f33A1 HIS 114 HE1 -0.15 -0.05 -0.10 -0.04 7.75 7.41 2f33A1 SER 115 H -0.22 0.45 0.18 -0.55 8.46 8.32 2f33A1 SER 115 HA -0.23 0.11 0.56 -0.75 4.49 4.17 2f33A1 SER 115 HB2 -0.39 0.08 0.14 -0.04 3.95 3.75 2f33A1 SER 115 HB3 -0.49 -0.07 0.14 -0.04 3.93 3.47 2f33A1 GLY 116 H -0.15 0.02 -0.27 -0.55 8.43 7.48 2f33A1 GLY 116 HA2 0.15 0.07 0.40 -0.51 4.01 4.11 2f33A1 GLY 116 HA3 -0.05 0.09 0.85 -0.51 4.01 4.39 2f33A1 PHE 117 H -0.50 0.17 -0.29 -0.55 8.34 7.18 2f33A1 PHE 117 HA 0.36 0.14 0.81 -0.75 4.62 5.18 2f33A1 PHE 117 HB2 0.03 -0.04 -0.22 -0.04 3.15 2.89 2f33A1 PHE 117 HB3 0.12 -0.10 -0.16 -0.04 3.06 2.88 2f33A1 PHE 117 HD2 0.03 0.03 -0.39 -0.04 7.28 6.91 2f33A1 PHE 117 HE2 -0.02 -0.06 -0.07 -0.04 7.38 7.19 2f33A1 PHE 117 HZ -0.02 -0.04 -0.06 -0.04 7.32 7.15 2f33A1 ILE 118 H -0.04 0.62 0.35 -0.55 8.25 8.63 2f33A1 ILE 118 HA -0.17 0.07 0.48 -0.75 4.18 3.80 2f33A1 ILE 118 HB 0.10 0.00 0.12 -0.04 1.89 2.08 2f33A1 ILE 118 HG12 -0.48 0.12 0.11 -0.04 1.49 1.20 2f33A1 ILE 118 HG13 0.43 -0.00 0.03 -0.04 1.21 1.63 2f33A1 ILE 118 HG23 0.13 -0.02 -0.06 -0.04 0.93 0.94 2f33A1 ILE 118 HD13 -1.13 0.04 -0.02 -0.04 0.88 -0.27 2f33A1 GLU 119 H -0.00 0.02 0.17 -0.55 8.60 8.24 2f33A1 GLU 119 HA 0.04 0.31 0.81 -0.75 4.29 4.69 2f33A1 GLU 119 HB2 -0.02 0.05 0.16 -0.04 2.09 2.24 2f33A1 GLU 119 HB3 -0.00 -0.28 0.21 -0.04 1.99 1.87 2f33A1 GLU 119 HG2 0.00 0.15 -0.02 -0.04 2.34 2.43 2f33A1 GLU 119 HG3 -0.03 0.10 0.02 -0.04 2.34 2.39 2f33A1 THR 120 H 0.01 0.17 0.13 -0.55 8.28 8.04 2f33A1 THR 120 HA 0.00 0.42 0.81 -0.75 4.39 4.87 2f33A1 THR 120 HB -0.00 0.06 0.16 -0.04 4.32 4.51 2f33A1 THR 120 HG23 -0.00 -0.00 0.13 -0.04 1.22 1.30 2f33A1 GLU 121 H -0.01 0.10 0.13 -0.55 8.60 8.27 2f33A1 GLU 121 HA -0.02 0.18 0.50 -0.75 4.29 4.20 2f33A1 GLU 121 HB2 -0.02 0.01 0.04 -0.04 2.09 2.09 2f33A1 GLU 121 HB3 -0.02 0.09 0.08 -0.04 1.99 2.10 2f33A1 GLU 121 HG2 -0.01 0.03 0.01 -0.04 2.34 2.33 2f33A1 GLU 121 HG3 -0.01 -0.05 0.11 -0.04 2.34 2.35 2f33A1 GLU 122 H -0.00 -0.08 -0.35 -0.55 8.60 7.61 2f33A1 GLU 122 HA -0.01 0.23 0.52 -0.75 4.29 4.28 2f33A1 GLU 122 HB2 -0.01 -0.21 0.17 -0.04 2.09 2.00 2f33A1 GLU 122 HB3 0.01 0.07 -0.03 -0.04 1.99 2.00 2f33A1 GLU 122 HG2 -0.03 -0.03 0.03 -0.04 2.34 2.27 2f33A1 GLU 122 HG3 -0.05 0.07 0.07 -0.04 2.34 2.39 2f33A1 LEU 123 H 0.03 0.33 -0.22 -0.55 8.37 7.96 2f33A1 LEU 123 HA 0.19 0.04 0.45 -0.75 4.35 4.28 2f33A1 LEU 123 HB2 0.06 0.13 0.16 -0.04 1.64 1.94 2f33A1 LEU 123 HB3 -0.01 0.11 0.14 -0.04 1.64 1.84 2f33A1 LEU 123 HG -0.01 0.04 -0.06 -0.04 1.64 1.57 2f33A1 LEU 123 HD13 -0.24 -0.03 -0.08 -0.04 0.93 0.54 2f33A1 LEU 123 HD23 0.02 -0.02 0.02 -0.04 0.89 0.87 2f33A1 LYS 124 H -0.01 0.45 -0.26 -0.55 8.42 8.04 2f33A1 LYS 124 HA -0.06 -0.02 0.35 -0.75 4.32 3.83 2f33A1 LYS 124 HB2 -0.02 0.25 0.24 -0.04 1.87 2.29 2f33A1 LYS 124 HB3 -0.03 -0.01 -0.02 -0.04 1.79 1.69 2f33A1 LYS 124 HG2 -0.03 -0.03 0.02 -0.04 1.46 1.39 2f33A1 LYS 124 HG3 -0.04 -0.09 0.07 -0.04 1.46 1.36 2f33A1 LYS 124 HD2 -0.04 -0.09 -0.01 -0.04 1.69 1.50 2f33A1 LYS 124 HD3 -0.02 0.45 0.24 -0.04 1.68 2.31 2f33A1 LYS 124 HE2 -0.02 -0.00 0.04 -0.04 2.99 2.97 2f33A1 LYS 124 HE3 -0.02 -0.03 -0.03 -0.04 2.99 2.87 2f33A1 ASN 125 H -0.02 0.05 -1.07 -0.55 8.53 6.94 2f33A1 ASN 125 HA -0.04 0.04 0.58 -0.75 4.76 4.58 2f33A1 ASN 125 HB2 -0.03 0.09 0.30 -0.04 2.88 3.20 2f33A1 ASN 125 HB3 -0.05 -0.08 0.06 -0.04 2.79 2.68 2f33A1 ASN 125 HD21 -0.02 -0.03 0.04 -0.04 7.03 6.97 2f33A1 ASN 125 HD22 -0.02 -0.03 0.02 -0.04 7.74 7.66 2f33A1 PHE 126 H 0.01 0.46 0.10 -0.55 8.34 8.35 2f33A1 PHE 126 HA -0.86 -0.00 0.40 -0.75 4.62 3.41 2f33A1 PHE 126 HB2 -0.27 -0.03 0.11 -0.04 3.15 2.91 2f33A1 PHE 126 HB3 -0.21 0.15 0.33 -0.04 3.06 3.30 2f33A1 PHE 126 HD2 -0.17 -0.09 -0.19 -0.04 7.28 6.79 2f33A1 PHE 126 HE2 0.41 0.00 -0.07 -0.04 7.38 7.68 2f33A1 PHE 126 HZ 0.64 -0.02 -0.05 -0.04 7.32 7.85 2f33A1 LEU 127 H -0.11 0.67 -0.08 -0.55 8.37 8.30 2f33A1 LEU 127 HA -0.26 -0.00 0.31 -0.75 4.35 3.64 2f33A1 LEU 127 HB2 -0.18 -0.10 0.05 -0.04 1.64 1.37 2f33A1 LEU 127 HB3 -0.31 -0.00 0.08 -0.04 1.64 1.37 2f33A1 LEU 127 HG -0.09 0.14 -0.07 -0.04 1.64 1.58 2f33A1 LEU 127 HD13 -0.05 -0.04 -0.20 -0.04 0.93 0.59 2f33A1 LEU 127 HD23 -0.10 -0.06 0.09 -0.04 0.89 0.78 2f33A1 LYS 128 H -0.07 0.32 -0.66 -0.55 8.42 7.45 2f33A1 LYS 128 HA -0.02 -0.03 0.39 -0.75 4.32 3.91 2f33A1 LYS 128 HB2 -0.05 0.23 0.21 -0.04 1.87 2.22 2f33A1 LYS 128 HB3 -0.03 -0.07 0.07 -0.04 1.79 1.73 2f33A1 LYS 128 HG2 -0.04 -0.09 0.08 -0.04 1.46 1.37 2f33A1 LYS 128 HG3 -0.05 0.05 0.27 -0.04 1.46 1.70 2f33A1 LYS 128 HD2 -0.02 0.00 0.05 -0.04 1.69 1.67 2f33A1 LYS 128 HD3 -0.02 -0.05 0.02 -0.04 1.68 1.59 2f33A1 LYS 128 HE2 -0.02 -0.03 -0.00 -0.04 2.99 2.90 2f33A1 LYS 128 HE3 -0.03 -0.03 -0.00 -0.04 2.99 2.89 2f33A1 ASP 129 H -0.11 0.46 0.01 -0.55 8.40 8.22 2f33A1 ASP 129 HA -0.02 -0.00 0.39 -0.75 4.63 4.25 2f33A1 ASP 129 HB2 -0.38 0.20 0.25 -0.04 2.71 2.74 2f33A1 ASP 129 HB3 -0.03 -0.03 0.01 -0.04 2.70 2.61 2f33A1 LEU 130 H 0.01 0.45 -0.48 -0.55 8.37 7.81 2f33A1 LEU 130 HA 0.10 0.03 0.41 -0.75 4.35 4.14 2f33A1 LEU 130 HB2 -0.04 0.41 0.27 -0.04 1.64 2.24 2f33A1 LEU 130 HB3 0.06 -0.14 0.04 -0.04 1.64 1.56 2f33A1 LEU 130 HG -0.25 -0.04 -0.02 -0.04 1.64 1.29 2f33A1 LEU 130 HD13 0.15 0.04 0.05 -0.04 0.93 1.13 2f33A1 LEU 130 HD23 0.23 -0.04 -0.21 -0.04 0.89 0.84 2f33A1 LEU 131 H 0.02 0.56 -0.13 -0.55 8.37 8.27 2f33A1 LEU 131 HA 0.05 -0.23 0.50 -0.75 4.35 3.92 2f33A1 LEU 131 HB2 0.01 0.49 0.34 -0.04 1.64 2.44 2f33A1 LEU 131 HB3 0.02 -0.07 0.05 -0.04 1.64 1.61 2f33A1 LEU 131 HG 0.04 -0.31 -0.02 -0.04 1.64 1.31 2f33A1 LEU 131 HD13 0.02 0.10 0.01 -0.04 0.93 1.02 2f33A1 LEU 131 HD23 0.01 0.05 -0.09 -0.04 0.89 0.81 2f33A1 GLU 132 H 0.03 0.46 -0.24 -0.55 8.60 8.30 2f33A1 GLU 132 HA 0.03 0.02 0.41 -0.75 4.29 3.99 2f33A1 GLU 132 HB2 0.03 0.22 0.19 -0.04 2.09 2.49 2f33A1 GLU 132 HB3 0.03 -0.03 0.08 -0.04 1.99 2.02 2f33A1 GLU 132 HG2 0.01 -0.05 -0.04 -0.04 2.34 2.21 2f33A1 GLU 132 HG3 0.00 -0.03 -0.07 -0.04 2.34 2.20 2f33A1 LYS 133 H 0.06 0.34 -0.32 -0.55 8.42 7.94 2f33A1 LYS 133 HA 0.06 0.11 0.62 -0.75 4.32 4.36 2f33A1 LYS 133 HB2 0.10 -0.04 0.08 -0.04 1.87 1.97 2f33A1 LYS 133 HB3 0.10 0.03 0.11 -0.04 1.79 1.99 2f33A1 LYS 133 HG2 0.12 -0.11 0.11 -0.04 1.46 1.54 2f33A1 LYS 133 HG3 0.09 0.42 0.31 -0.04 1.46 2.24 2f33A1 LYS 133 HD2 0.08 0.02 -0.46 -0.04 1.69 1.28 2f33A1 LYS 133 HD3 0.10 -0.05 -0.01 -0.04 1.68 1.69 2f33A1 LYS 133 HE2 0.10 0.02 -0.03 -0.04 2.99 3.04 2f33A1 LYS 133 HE3 0.09 -0.06 -0.09 -0.04 2.99 2.89 2f33A1 ALA 134 H 0.07 0.68 0.11 -0.55 8.40 8.71 2f33A1 ALA 134 HA 0.06 0.11 0.39 -0.75 4.34 4.15 2f33A1 ALA 134 HB3 0.07 -0.04 0.07 -0.04 1.41 1.47 2f33A1 ASN 135 H 0.04 0.20 -0.85 -0.55 8.53 7.37 2f33A1 ASN 135 HA 0.03 0.07 0.22 -0.75 4.76 4.33 2f33A1 ASN 135 HB2 0.04 0.08 -0.40 -0.04 2.88 2.55 2f33A1 ASN 135 HB3 0.03 0.01 0.14 -0.04 2.79 2.93 2f33A1 ASN 135 HD21 0.02 -0.01 0.18 -0.04 7.03 7.18 2f33A1 ASN 135 HD22 0.02 -0.04 0.05 -0.04 7.74 7.73 2f33A1 LYS 136 H 0.04 -0.13 -0.58 -0.55 8.42 7.20 2f33A1 LYS 136 HA 0.03 0.25 0.86 -0.75 4.32 4.71 2f33A1 LYS 136 HB2 0.03 -0.04 -0.03 -0.04 1.87 1.80 2f33A1 LYS 136 HB3 0.03 0.17 -0.15 -0.04 1.79 1.80 2f33A1 LYS 136 HG2 0.05 0.10 -0.06 -0.04 1.46 1.51 2f33A1 LYS 136 HG3 0.05 -0.18 -0.17 -0.04 1.46 1.11 2f33A1 LYS 136 HD2 0.06 -0.15 -0.14 -0.04 1.69 1.43 2f33A1 LYS 136 HD3 0.04 0.02 -0.23 -0.04 1.68 1.47 2f33A1 LYS 136 HE2 0.04 0.13 -0.02 -0.04 2.99 3.09 2f33A1 LYS 136 HE3 0.05 0.02 0.05 -0.04 2.99 3.06 2f33A1 THR 137 H 0.04 0.06 0.10 -0.55 8.28 7.93 2f33A1 THR 137 HA 0.03 -0.06 0.37 -0.75 4.39 3.97 2f33A1 THR 137 HB 0.02 0.04 0.26 -0.04 4.32 4.60 2f33A1 THR 137 HG23 0.01 -0.01 -0.05 -0.04 1.22 1.12 2f33A1 VAL 138 H 0.06 0.03 0.02 -0.55 8.24 7.80 2f33A1 VAL 138 HA 0.06 0.00 0.25 -0.75 4.13 3.69 2f33A1 VAL 138 HB 0.13 -0.10 -0.13 -0.04 2.12 1.98 2f33A1 VAL 138 HG13 0.13 0.02 -0.03 -0.04 0.97 1.06 2f33A1 VAL 138 HG23 0.12 -0.03 -0.10 -0.04 0.95 0.89 2f33A1 ASP 139 H 0.04 0.08 0.18 -0.55 8.40 8.16 2f33A1 ASP 139 HA 0.02 0.23 0.41 -0.75 4.63 4.53 2f33A1 ASP 139 HB2 0.03 0.09 0.20 -0.04 2.71 2.98 2f33A1 ASP 139 HB3 0.02 -0.20 0.05 -0.04 2.70 2.53 2f33A1 ASP 140 H 0.00 0.25 0.19 -0.55 8.40 8.30 2f33A1 ASP 140 HA -0.01 0.10 0.40 -0.75 4.63 4.36 2f33A1 ASP 140 HB2 -0.01 -0.01 0.12 -0.04 2.71 2.77 2f33A1 ASP 140 HB3 -0.02 0.03 0.06 -0.04 2.70 2.73 2f33A1 THR 141 H 0.00 0.12 -0.30 -0.55 8.28 7.55 2f33A1 THR 141 HA -0.03 0.08 0.41 -0.75 4.39 4.09 2f33A1 THR 141 HB 0.02 -0.03 -0.01 -0.04 4.32 4.26 2f33A1 THR 141 HG23 0.01 0.02 0.02 -0.04 1.22 1.22 2f33A1 LYS 142 H 0.02 0.40 -0.41 -0.55 8.42 7.88 2f33A1 LYS 142 HA 0.12 0.07 0.58 -0.75 4.32 4.33 2f33A1 LYS 142 HB2 0.09 0.24 -0.13 -0.04 1.87 2.04 2f33A1 LYS 142 HB3 0.25 -0.00 -0.14 -0.04 1.79 1.85 2f33A1 LYS 142 HG2 0.13 -0.02 -0.21 -0.04 1.46 1.31 2f33A1 LYS 142 HG3 0.15 -0.05 -0.04 -0.04 1.46 1.48 2f33A1 LYS 142 HD2 0.05 0.07 -0.05 -0.04 1.69 1.72 2f33A1 LYS 142 HD3 0.06 -0.16 0.07 -0.04 1.68 1.62 2f33A1 LYS 142 HE2 0.06 -0.02 -0.04 -0.04 2.99 2.95 2f33A1 LYS 142 HE3 0.04 -0.03 -0.06 -0.04 2.99 2.90 2f33A1 LEU 143 H 0.01 0.56 -0.06 -0.55 8.37 8.34 2f33A1 LEU 143 HA 0.09 0.10 0.52 -0.75 4.35 4.30 2f33A1 LEU 143 HB2 -0.04 -0.03 -0.02 -0.04 1.64 1.51 2f33A1 LEU 143 HB3 0.03 0.06 -0.02 -0.04 1.64 1.67 2f33A1 LEU 143 HG -0.00 0.13 -0.11 -0.04 1.64 1.62 2f33A1 LEU 143 HD13 -0.04 -0.01 -0.23 -0.04 0.93 0.62 2f33A1 LEU 143 HD23 -0.01 0.04 -0.12 -0.04 0.89 0.77 2f33A1 ALA 144 H -0.08 0.60 -0.06 -0.55 8.40 8.31 2f33A1 ALA 144 HA -0.07 0.11 0.58 -0.75 4.34 4.20 2f33A1 ALA 144 HB3 -0.06 0.02 0.13 -0.04 1.41 1.46 2f33A1 GLU 145 H -0.19 0.31 -0.11 -0.55 8.60 8.07 2f33A1 GLU 145 HA -0.14 0.04 0.37 -0.75 4.29 3.81 2f33A1 GLU 145 HB2 -0.65 0.18 0.08 -0.04 2.09 1.67 2f33A1 GLU 145 HB3 -0.17 -0.37 0.24 -0.04 1.99 1.64 2f33A1 GLU 145 HG2 -0.15 0.42 0.23 -0.04 2.34 2.80 2f33A1 GLU 145 HG3 -0.07 0.01 0.18 -0.04 2.34 2.42 2f33A1 TYR 146 H -0.38 0.11 -0.96 -0.55 8.29 6.50 2f33A1 TYR 146 HA -0.33 0.03 0.41 -0.75 4.56 3.92 2f33A1 TYR 146 HB2 -0.64 0.35 0.22 -0.04 3.06 2.95 2f33A1 TYR 146 HB3 -0.21 0.18 0.11 -0.04 2.98 3.02 2f33A1 TYR 146 HD2 0.08 -0.05 -0.02 -0.04 7.15 7.12 2f33A1 TYR 146 HE2 -0.11 -0.10 -0.18 -0.04 6.85 6.42 2f33A1 THR 147 H -0.07 0.70 0.04 -0.55 8.28 8.40 2f33A1 THR 147 HA -0.13 -0.01 0.34 -0.75 4.39 3.84 2f33A1 THR 147 HB -0.09 0.21 0.27 -0.04 4.32 4.67 2f33A1 THR 147 HG23 -0.06 0.07 0.07 -0.04 1.22 1.26 2f33A1 ASP 148 H -0.07 0.69 -0.22 -0.55 8.40 8.26 2f33A1 ASP 148 HA -0.04 0.07 0.46 -0.75 4.63 4.37 2f33A1 ASP 148 HB2 -0.06 0.11 0.06 -0.04 2.71 2.77 2f33A1 ASP 148 HB3 -0.04 -0.03 -0.08 -0.04 2.70 2.51 2f33A1 LEU 149 H -0.06 0.39 -0.21 -0.55 8.37 7.95 2f33A1 LEU 149 HA -0.11 -0.03 0.38 -0.75 4.35 3.84 2f33A1 LEU 149 HB2 -0.12 -0.08 -0.01 -0.04 1.64 1.40 2f33A1 LEU 149 HB3 -0.04 0.26 0.27 -0.04 1.64 2.08 2f33A1 LEU 149 HG -0.14 -0.00 -0.46 -0.04 1.64 1.00 2f33A1 LEU 149 HD13 -0.07 -0.00 -0.08 -0.04 0.93 0.74 2f33A1 LEU 149 HD23 0.03 0.09 0.03 -0.04 0.89 1.00 2f33A1 MET 150 H -0.02 0.48 -0.58 -0.55 8.47 7.81 2f33A1 MET 150 HA 0.00 0.01 0.35 -0.75 4.52 4.13 2f33A1 MET 150 HB2 -0.06 0.21 0.10 -0.04 2.15 2.36 2f33A1 MET 150 HB3 -0.02 -0.01 -0.06 -0.04 2.03 1.91 2f33A1 MET 150 HG2 -0.21 -0.03 -0.06 -0.04 2.63 2.28 2f33A1 MET 150 HG3 0.02 -0.09 -0.04 -0.04 2.56 2.42 2f33A1 MET 150 HE3 -0.33 -0.00 -0.09 -0.04 2.10 1.63 2f33A1 LEU 151 H -0.01 0.36 -0.08 -0.55 8.37 8.09 2f33A1 LEU 151 HA 0.02 0.18 0.55 -0.75 4.35 4.35 2f33A1 LEU 151 HB2 -0.01 0.01 -0.01 -0.04 1.64 1.58 2f33A1 LEU 151 HB3 -0.01 -0.17 -0.10 -0.04 1.64 1.33 2f33A1 LEU 151 HG 0.01 0.40 -0.53 -0.04 1.64 1.48 2f33A1 LEU 151 HD13 0.03 0.01 -0.44 -0.04 0.93 0.49 2f33A1 LEU 151 HD23 -0.02 0.03 0.09 -0.04 0.89 0.94 2f33A1 LYS 152 H -0.02 0.57 -0.17 -0.55 8.42 8.24 2f33A1 LYS 152 HA 0.00 0.10 0.62 -0.75 4.32 4.29 2f33A1 LYS 152 HB2 -0.05 -0.06 0.07 -0.04 1.87 1.78 2f33A1 LYS 152 HB3 0.01 0.02 -0.02 -0.04 1.79 1.75 2f33A1 LYS 152 HG2 -0.03 0.20 -0.03 -0.04 1.46 1.56 2f33A1 LYS 152 HG3 -0.01 -0.04 -0.05 -0.04 1.46 1.32 2f33A1 LYS 152 HD2 -0.01 -0.00 -0.05 -0.04 1.69 1.59 2f33A1 LYS 152 HD3 -0.00 0.02 -0.14 -0.04 1.68 1.52 2f33A1 LYS 152 HE2 -0.01 -0.06 -0.20 -0.04 2.99 2.68 2f33A1 LYS 152 HE3 -0.02 0.11 0.06 -0.04 2.99 3.10 2f33A1 LEU 153 H -0.12 0.39 0.04 -0.55 8.37 8.12 2f33A1 LEU 153 HA -0.18 0.08 0.36 -0.75 4.35 3.85 2f33A1 LEU 153 HB2 -0.30 0.27 0.16 -0.04 1.64 1.73 2f33A1 LEU 153 HB3 -0.48 0.00 0.08 -0.04 1.64 1.19 2f33A1 LEU 153 HG -2.02 0.01 0.03 -0.04 1.64 -0.38 2f33A1 LEU 153 HD13 -0.34 -0.06 0.07 -0.04 0.93 0.56 2f33A1 LEU 153 HD23 -1.17 -0.01 -0.01 -0.04 0.89 -0.34 2f33A1 PHE 154 H 0.08 -0.01 -0.94 -0.55 8.34 6.92 2f33A1 PHE 154 HA -0.01 0.28 0.81 -0.75 4.62 4.94 2f33A1 PHE 154 HB2 -0.03 -0.06 -0.15 -0.04 3.15 2.87 2f33A1 PHE 154 HB3 0.01 0.10 0.02 -0.04 3.06 3.15 2f33A1 PHE 154 HD2 0.02 0.11 -0.09 -0.04 7.28 7.29 2f33A1 PHE 154 HE2 0.00 -0.06 -0.06 -0.04 7.38 7.22 2f33A1 PHE 154 HZ 0.01 0.10 0.06 -0.04 7.32 7.45 2f33A1 ASP 155 H 0.07 0.11 -0.47 -0.55 8.40 7.57 2f33A1 ASP 155 HA -0.06 -0.13 0.51 -0.75 4.63 4.20 2f33A1 ASP 155 HB2 -0.01 -0.25 0.07 -0.04 2.71 2.48 2f33A1 ASP 155 HB3 0.00 0.11 0.35 -0.04 2.70 3.12 2f33A1 SER 156 H -0.20 -0.03 0.28 -0.55 8.46 7.96 2f33A1 SER 156 HA -0.10 0.20 0.53 -0.75 4.49 4.38 2f33A1 SER 156 HB2 -0.28 0.02 0.10 -0.04 3.95 3.74 2f33A1 SER 156 HB3 -0.41 -0.04 0.17 -0.04 3.93 3.61 2f33A1 ASN 157 H -0.11 -0.15 0.07 -0.55 8.53 7.80 2f33A1 ASN 157 HA -0.03 0.28 0.61 -0.75 4.76 4.86 2f33A1 ASN 157 HB2 -0.07 0.01 -0.21 -0.04 2.88 2.57 2f33A1 ASN 157 HB3 -0.06 -0.04 -0.08 -0.04 2.79 2.57 2f33A1 ASN 157 HD21 -0.03 -0.04 -0.02 -0.04 7.03 6.90 2f33A1 ASN 157 HD22 -0.02 0.00 0.02 -0.04 7.74 7.70 2f33A1 ASN 158 H -0.05 -0.08 -0.03 -0.55 8.53 7.82 2f33A1 ASN 158 HA -0.02 -0.04 0.37 -0.75 4.76 4.32 2f33A1 ASN 158 HB2 -0.01 0.26 -0.24 -0.04 2.88 2.85 2f33A1 ASN 158 HB3 -0.01 -0.01 0.18 -0.04 2.79 2.91 2f33A1 ASN 158 HD21 -0.00 -0.07 -0.35 -0.04 7.03 6.57 2f33A1 ASN 158 HD22 0.01 0.09 -0.07 -0.04 7.74 7.73 2f33A1 ASP 159 H -0.04 -0.15 0.17 -0.55 8.40 7.83 2f33A1 ASP 159 HA -0.01 0.33 0.88 -0.75 4.63 5.08 2f33A1 ASP 159 HB2 -0.03 0.09 -0.11 -0.04 2.71 2.62 2f33A1 ASP 159 HB3 -0.01 -0.15 -0.00 -0.04 2.70 2.49 2f33A1 GLY 160 H -0.02 -0.11 0.18 -0.55 8.43 7.94 2f33A1 GLY 160 HA2 -0.01 0.06 0.30 -0.51 4.01 3.86 2f33A1 GLY 160 HA3 -0.00 0.21 0.86 -0.51 4.01 4.57 2f33A1 LYS 161 H 0.00 -0.08 -0.08 -0.55 8.42 7.71 2f33A1 LYS 161 HA 0.05 0.10 0.35 -0.75 4.32 4.07 2f33A1 LYS 161 HB2 0.20 0.53 0.13 -0.04 1.87 2.68 2f33A1 LYS 161 HB3 0.11 -0.07 0.00 -0.04 1.79 1.78 2f33A1 LYS 161 HG2 0.06 0.12 -0.07 -0.04 1.46 1.53 2f33A1 LYS 161 HG3 -0.04 -0.28 0.01 -0.04 1.46 1.11 2f33A1 LYS 161 HD2 0.07 0.05 -0.60 -0.04 1.69 1.17 2f33A1 LYS 161 HD3 -0.35 0.12 -0.21 -0.04 1.68 1.20 2f33A1 LYS 161 HE2 -0.38 0.05 -0.03 -0.04 2.99 2.59 2f33A1 LYS 161 HE3 -0.16 -0.19 -0.06 -0.04 2.99 2.54 2f33A1 LEU 162 H 0.14 0.65 -0.01 -0.55 8.37 8.60 2f33A1 LEU 162 HA 0.11 0.19 0.83 -0.75 4.35 4.73 2f33A1 LEU 162 HB2 0.13 0.00 -0.11 -0.04 1.64 1.63 2f33A1 LEU 162 HB3 0.35 -0.10 0.08 -0.04 1.64 1.93 2f33A1 LEU 162 HG 0.07 -0.04 -0.13 -0.04 1.64 1.50 2f33A1 LEU 162 HD13 0.47 -0.01 -0.04 -0.04 0.93 1.31 2f33A1 LEU 162 HD23 0.20 -0.01 -0.11 -0.04 0.89 0.94 2f33A1 GLU 163 H 0.01 0.19 0.11 -0.55 8.60 8.36 2f33A1 GLU 163 HA 0.68 0.31 0.96 -0.75 4.29 5.48 2f33A1 GLU 163 HB2 -0.48 0.02 0.02 -0.04 2.09 1.61 2f33A1 GLU 163 HB3 -1.45 0.02 0.12 -0.04 1.99 0.63 2f33A1 GLU 163 HG2 0.27 -0.34 0.28 -0.04 2.34 2.51 2f33A1 GLU 163 HG3 0.17 0.14 0.10 -0.04 2.34 2.71 2f33A1 LEU 164 H 0.25 0.29 0.20 -0.55 8.37 8.56 2f33A1 LEU 164 HA -0.64 0.11 0.59 -0.75 4.35 3.66 2f33A1 LEU 164 HB2 -0.13 0.21 0.13 -0.04 1.64 1.81 2f33A1 LEU 164 HB3 -0.21 -0.01 -0.14 -0.04 1.64 1.24 2f33A1 LEU 164 HG -0.82 -0.07 -0.01 -0.04 1.64 0.70 2f33A1 LEU 164 HD13 -1.11 0.03 -0.11 -0.04 0.93 -0.30 2f33A1 LEU 164 HD23 -0.30 0.00 -0.09 -0.04 0.89 0.47 2f33A1 THR 165 H 0.12 0.24 0.05 -0.55 8.28 8.13 2f33A1 THR 165 HA -0.24 0.03 0.26 -0.75 4.39 3.68 2f33A1 THR 165 HB -0.42 0.09 0.08 -0.04 4.32 4.04 2f33A1 THR 165 HG23 -0.09 0.02 0.03 -0.04 1.22 1.15 2f33A1 GLU 166 H 0.12 0.04 -0.96 -0.55 8.60 7.26 2f33A1 GLU 166 HA -0.14 0.23 0.64 -0.75 4.29 4.26 2f33A1 GLU 166 HB2 0.50 -0.02 0.06 -0.04 2.09 2.60 2f33A1 GLU 166 HB3 0.16 -0.04 0.04 -0.04 1.99 2.11 2f33A1 GLU 166 HG2 -0.00 -0.03 -0.13 -0.04 2.34 2.14 2f33A1 GLU 166 HG3 0.07 0.56 0.31 -0.04 2.34 3.23 2f33A1 MET 167 H 0.09 0.20 0.05 -0.55 8.47 8.26 2f33A1 MET 167 HA 0.02 0.07 0.41 -0.75 4.52 4.26 2f33A1 MET 167 HB2 -0.01 0.07 0.24 -0.04 2.15 2.42 2f33A1 MET 167 HB3 0.34 -0.02 0.01 -0.04 2.03 2.32 2f33A1 MET 167 HG2 0.09 -0.01 0.00 -0.04 2.63 2.68 2f33A1 MET 167 HG3 0.42 0.04 0.02 -0.04 2.56 3.00 2f33A1 MET 167 HE3 0.03 0.01 -0.08 -0.04 2.10 2.01 2f33A1 ALA 168 H -0.05 1.02 -0.13 -0.55 8.40 8.70 2f33A1 ALA 168 HA 0.09 -0.00 0.37 -0.75 4.34 4.04 2f33A1 ALA 168 HB3 -0.06 0.01 -0.25 -0.04 1.41 1.06 2f33A1 ARG 169 H -0.07 0.25 -0.60 -0.55 8.46 7.50 2f33A1 ARG 169 HA 0.03 0.13 0.79 -0.75 4.34 4.54 2f33A1 ARG 169 HB2 -0.32 -0.14 0.25 -0.04 1.90 1.65 2f33A1 ARG 169 HB3 -0.16 0.18 0.22 -0.04 1.80 2.00 2f33A1 ARG 169 HG2 -0.14 0.33 0.44 -0.04 1.67 2.26 2f33A1 ARG 169 HG3 -0.19 -0.18 0.04 -0.04 1.67 1.30 2f33A1 ARG 169 HD2 -0.22 0.16 -0.02 -0.04 3.22 3.10 2f33A1 ARG 169 HD3 -0.17 -0.16 -0.03 -0.04 3.22 2.82 2f33A1 LEU 170 H -0.05 0.39 -0.21 -0.55 8.37 7.95 2f33A1 LEU 170 HA 0.08 -0.27 0.81 -0.75 4.35 4.21 2f33A1 LEU 170 HB2 -0.15 0.08 0.12 -0.04 1.64 1.64 2f33A1 LEU 170 HB3 -0.25 0.10 0.18 -0.04 1.64 1.63 2f33A1 LEU 170 HG -0.17 -0.12 -0.07 -0.04 1.64 1.24 2f33A1 LEU 170 HD13 -0.19 0.08 -0.07 -0.04 0.93 0.70 2f33A1 LEU 170 HD23 -1.10 -0.01 -0.05 -0.04 0.89 -0.32 2f33A1 LEU 171 H 0.01 -0.02 -0.48 -0.55 8.37 7.35 2f33A1 LEU 171 HA -0.18 0.08 0.73 -0.75 4.35 4.24 2f33A1 LEU 171 HB2 -0.07 -0.05 0.14 -0.04 1.64 1.62 2f33A1 LEU 171 HB3 -0.04 0.37 0.13 -0.04 1.64 2.06 2f33A1 LEU 171 HG 0.19 -0.12 -0.01 -0.04 1.64 1.66 2f33A1 LEU 171 HD13 0.12 -0.06 -0.38 -0.04 0.93 0.57 2f33A1 LEU 171 HD23 0.39 -0.01 -0.03 -0.04 0.89 1.20 2f33A1 PRO 172 HA 0.12 0.13 0.55 -0.51 4.44 4.72 2f33A1 PRO 172 HB2 0.13 -0.17 0.21 -0.04 2.28 2.41 2f33A1 PRO 172 HB3 0.10 0.14 0.08 -0.04 2.02 2.31 2f33A1 PRO 172 HG2 0.17 -0.02 -0.05 -0.04 2.03 2.09 2f33A1 PRO 172 HG3 0.07 0.03 -0.26 -0.04 2.03 1.83 2f33A1 PRO 172 HD2 0.26 0.01 0.14 -0.04 3.68 4.04 2f33A1 PRO 172 HD3 -0.08 0.09 -0.09 -0.04 3.65 3.52 2f33A1 VAL 173 H 0.16 0.36 0.21 -0.55 8.24 8.41 2f33A1 VAL 173 HA 0.08 0.01 0.34 -0.75 4.13 3.81 2f33A1 VAL 173 HB 0.02 0.08 0.01 -0.04 2.12 2.19 2f33A1 VAL 173 HG13 0.07 0.03 0.04 -0.04 0.97 1.06 2f33A1 VAL 173 HG23 0.18 0.01 0.05 -0.04 0.95 1.15 2f33A1 GLN 174 H 0.11 -0.04 -0.55 -0.55 8.47 7.44 2f33A1 GLN 174 HA 0.07 0.12 0.35 -0.75 4.36 4.14 2f33A1 GLN 174 HB2 0.09 -0.09 0.05 -0.04 2.15 2.16 2f33A1 GLN 174 HB3 0.07 0.05 -0.07 -0.04 2.02 2.02 2f33A1 GLN 174 HG2 0.06 0.03 0.01 -0.04 2.40 2.45 2f33A1 GLN 174 HG3 0.05 0.06 0.04 -0.04 2.39 2.50 2f33A1 GLN 174 HE21 0.08 0.02 0.00 -0.04 6.97 7.04 2f33A1 GLN 174 HE22 0.13 0.01 0.01 -0.04 7.69 7.80 2f33A1 GLU 175 H 0.11 0.13 -0.08 -0.55 8.60 8.21 2f33A1 GLU 175 HA 0.08 0.30 0.90 -0.75 4.29 4.83 2f33A1 GLU 175 HB2 0.09 -0.04 0.02 -0.04 2.09 2.11 2f33A1 GLU 175 HB3 0.11 -0.12 0.04 -0.04 1.99 1.97 2f33A1 GLU 175 HG2 0.05 0.14 0.08 -0.04 2.34 2.57 2f33A1 GLU 175 HG3 0.05 0.02 -0.04 -0.04 2.34 2.33 2f33A1 ASN 176 H 0.12 0.26 -0.02 -0.55 8.53 8.35 2f33A1 ASN 176 HA 0.23 -0.08 0.41 -0.75 4.76 4.56 2f33A1 ASN 176 HB2 -0.03 -0.10 -0.01 -0.04 2.88 2.69 2f33A1 ASN 176 HB3 0.13 0.25 -0.05 -0.04 2.79 3.07 2f33A1 ASN 176 HD21 0.02 0.07 -0.09 -0.04 7.03 6.99 2f33A1 ASN 176 HD22 0.03 0.13 -0.00 -0.04 7.74 7.85 2f33A1 PHE 177 H 0.46 0.12 0.21 -0.55 8.34 8.57 2f33A1 PHE 177 HA 0.32 0.23 0.50 -0.75 4.62 4.91 2f33A1 PHE 177 HB2 0.56 0.04 0.09 -0.04 3.15 3.80 2f33A1 PHE 177 HB3 0.41 0.06 0.11 -0.04 3.06 3.60 2f33A1 PHE 177 HD2 0.57 0.04 0.03 -0.04 7.28 7.88 2f33A1 PHE 177 HE2 0.03 0.01 -0.02 -0.04 7.38 7.35 2f33A1 PHE 177 HZ -0.04 0.10 -0.11 -0.04 7.32 7.23 2f33A1 LEU 178 H -0.52 -0.01 -0.25 -0.55 8.37 7.04 2f33A1 LEU 178 HA -0.04 0.19 0.39 -0.75 4.35 4.13 2f33A1 LEU 178 HB2 -0.12 0.03 -0.05 -0.04 1.64 1.46 2f33A1 LEU 178 HB3 -0.17 0.07 -0.06 -0.04 1.64 1.44 2f33A1 LEU 178 HG -0.44 -0.08 -0.01 -0.04 1.64 1.07 2f33A1 LEU 178 HD13 -0.20 0.01 -0.10 -0.04 0.93 0.61 2f33A1 LEU 178 HD23 -1.61 0.01 -0.03 -0.04 0.89 -0.79 2f33A1 LEU 179 H -0.03 0.16 -0.17 -0.55 8.37 7.78 2f33A1 LEU 179 HA -0.05 0.07 0.30 -0.75 4.35 3.92 2f33A1 LEU 179 HB2 -0.18 0.04 0.06 -0.04 1.64 1.52 2f33A1 LEU 179 HB3 -0.05 -0.06 0.09 -0.04 1.64 1.58 2f33A1 LEU 179 HG -0.03 0.09 0.01 -0.04 1.64 1.67 2f33A1 LEU 179 HD13 0.03 -0.05 -0.08 -0.04 0.93 0.79 2f33A1 LEU 179 HD23 -0.06 0.01 -0.38 -0.04 0.89 0.42 2f33A1 LYS 180 H 0.01 0.08 -0.77 -0.55 8.42 7.18 2f33A1 LYS 180 HA -0.04 0.16 0.77 -0.75 4.32 4.45 2f33A1 LYS 180 HB2 0.01 0.01 0.08 -0.04 1.87 1.93 2f33A1 LYS 180 HB3 -0.16 0.07 0.02 -0.04 1.79 1.68 2f33A1 LYS 180 HG2 -0.04 -0.08 0.18 -0.04 1.46 1.48 2f33A1 LYS 180 HG3 -0.03 -0.01 -0.00 -0.04 1.46 1.38 2f33A1 LYS 180 HD2 0.03 -0.02 -0.03 -0.04 1.69 1.62 2f33A1 LYS 180 HD3 0.08 0.01 0.04 -0.04 1.68 1.77 2f33A1 LYS 180 HE2 0.00 0.33 0.20 -0.04 2.99 3.48 2f33A1 LYS 180 HE3 0.01 -0.05 0.02 -0.04 2.99 2.92 2f33A1 PHE 181 H 0.07 0.24 0.03 -0.55 8.34 8.13 2f33A1 PHE 181 HA -0.06 -0.03 0.38 -0.75 4.62 4.16 2f33A1 PHE 181 HB2 -0.04 0.02 0.08 -0.04 3.15 3.17 2f33A1 PHE 181 HB3 0.00 0.32 0.06 -0.04 3.06 3.40 2f33A1 PHE 181 HD2 0.35 -0.07 -0.12 -0.04 7.28 7.40 2f33A1 PHE 181 HE2 0.12 -0.02 -0.06 -0.04 7.38 7.39 2f33A1 PHE 181 HZ 0.02 -0.04 -0.11 -0.04 7.32 7.15 2f33A1 GLN 182 H 0.07 0.56 -0.29 -0.55 8.47 8.26 2f33A1 GLN 182 HA 0.09 0.08 0.38 -0.75 4.36 4.15 2f33A1 GLN 182 HB2 0.03 0.01 -0.01 -0.04 2.15 2.15 2f33A1 GLN 182 HB3 0.02 -0.07 0.01 -0.04 2.02 1.94 2f33A1 GLN 182 HG2 0.00 0.14 -0.06 -0.04 2.40 2.44 2f33A1 GLN 182 HG3 0.01 0.02 -0.05 -0.04 2.39 2.34 2f33A1 GLN 182 HE21 0.02 -0.00 -0.04 -0.04 6.97 6.90 2f33A1 GLN 182 HE22 0.04 0.05 -0.01 -0.04 7.69 7.73 2f33A1 GLY 183 H 0.02 0.22 -0.23 -0.55 8.43 7.90 2f33A1 GLY 183 HA2 0.03 0.07 0.41 -0.51 4.01 4.01 2f33A1 GLY 183 HA3 0.00 0.03 0.29 -0.51 4.01 3.82 2f33A1 ILE 184 H 0.04 0.26 -0.57 -0.55 8.25 7.44 2f33A1 ILE 184 HA -0.02 -0.01 0.26 -0.75 4.18 3.67 2f33A1 ILE 184 HB 0.21 0.11 0.16 -0.04 1.89 2.34 2f33A1 ILE 184 HG12 -0.26 -0.09 -0.14 -0.04 1.49 0.96 2f33A1 ILE 184 HG13 -0.16 0.31 -0.13 -0.04 1.21 1.18 2f33A1 ILE 184 HG23 0.08 -0.06 -0.06 -0.04 0.93 0.85 2f33A1 ILE 184 HD13 -1.00 -0.05 -0.47 -0.04 0.88 -0.67 2f33A1 LYS 185 H 0.09 0.30 -1.07 -0.55 8.42 7.19 2f33A1 LYS 185 HA 0.12 0.14 0.25 -0.75 4.32 4.07 2f33A1 LYS 185 HB2 0.08 -0.30 0.01 -0.04 1.87 1.63 2f33A1 LYS 185 HB3 0.09 0.16 0.05 -0.04 1.79 2.05 2f33A1 LYS 185 HG2 0.05 0.19 0.16 -0.04 1.46 1.82 2f33A1 LYS 185 HG3 0.05 -0.01 0.06 -0.04 1.46 1.51 2f33A1 LYS 185 HD2 0.06 0.02 0.08 -0.04 1.69 1.81 2f33A1 LYS 185 HD3 0.04 -0.04 0.04 -0.04 1.68 1.69 2f33A1 LYS 185 HE2 0.04 0.03 0.05 -0.04 2.99 3.08 2f33A1 LYS 185 HE3 0.05 -0.14 0.03 -0.04 2.99 2.89 2f33A1 MET 186 H 0.06 0.14 0.28 -0.55 8.47 8.40 2f33A1 MET 186 HA 0.03 0.16 0.50 -0.75 4.52 4.45 2f33A1 MET 186 HB2 -0.04 -0.19 0.13 -0.04 2.15 2.01 2f33A1 MET 186 HB3 0.01 -0.07 -0.01 -0.04 2.03 1.92 2f33A1 MET 186 HG2 0.00 0.08 0.04 -0.04 2.63 2.72 2f33A1 MET 186 HG3 -0.02 0.10 0.09 -0.04 2.56 2.69 2f33A1 MET 186 HE3 -0.26 -0.03 -0.09 -0.04 2.10 1.68 2f33A1 CYS 187 H 0.10 0.11 -0.01 -0.55 8.50 8.16 2f33A1 CYS 187 HA 0.10 0.01 0.39 -0.75 4.58 4.33 2f33A1 CYS 187 HB2 0.06 0.60 0.68 -0.04 2.97 4.27 2f33A1 CYS 187 HB3 0.07 -0.19 0.04 -0.04 2.97 2.85 2f33A1 GLY 188 H 0.12 0.18 0.22 -0.55 8.43 8.41 2f33A1 GLY 188 HA2 0.22 0.09 0.41 -0.51 4.01 4.23 2f33A1 GLY 188 HA3 0.10 0.12 0.39 -0.51 4.01 4.10 2f33A1 LYS 189 H 0.09 0.04 -0.60 -0.55 8.42 7.40 2f33A1 LYS 189 HA 0.07 0.15 0.53 -0.75 4.32 4.31 2f33A1 LYS 189 HB2 0.06 -0.02 0.07 -0.04 1.87 1.93 2f33A1 LYS 189 HB3 0.05 0.09 -0.04 -0.04 1.79 1.85 2f33A1 LYS 189 HG2 0.04 0.00 0.06 -0.04 1.46 1.52 2f33A1 LYS 189 HG3 0.04 0.02 0.00 -0.04 1.46 1.48 2f33A1 LYS 189 HD2 0.03 0.02 -0.01 -0.04 1.69 1.69 2f33A1 LYS 189 HD3 0.03 0.01 -0.03 -0.04 1.68 1.65 2f33A1 LYS 189 HE2 0.03 -0.00 -0.01 -0.04 2.99 2.96 2f33A1 LYS 189 HE3 0.02 0.04 -0.01 -0.04 2.99 3.00 2f33A1 GLU 190 H 0.10 0.22 -0.03 -0.55 8.60 8.33 2f33A1 GLU 190 HA 0.06 0.09 0.49 -0.75 4.29 4.18 2f33A1 GLU 190 HB2 0.06 0.04 -0.01 -0.04 2.09 2.13 2f33A1 GLU 190 HB3 0.04 0.01 -0.07 -0.04 1.99 1.93 2f33A1 GLU 190 HG2 0.03 -0.02 -0.01 -0.04 2.34 2.30 2f33A1 GLU 190 HG3 0.03 0.11 -0.01 -0.04 2.34 2.43 2f33A1 PHE 191 H 0.23 0.62 -0.25 -0.55 8.34 8.39 2f33A1 PHE 191 HA 0.19 0.08 0.38 -0.75 4.62 4.51 2f33A1 PHE 191 HB2 0.07 -0.04 -0.09 -0.04 3.15 3.05 2f33A1 PHE 191 HB3 0.04 0.11 0.04 -0.04 3.06 3.20 2f33A1 PHE 191 HD2 0.17 -0.03 -0.15 -0.04 7.28 7.22 2f33A1 PHE 191 HE2 0.30 -0.09 -0.12 -0.04 7.38 7.44 2f33A1 PHE 191 HZ 0.08 0.08 -0.46 -0.04 7.32 6.98 2f33A1 ASN 192 H 0.21 0.52 -0.18 -0.55 8.53 8.52 2f33A1 ASN 192 HA 0.11 -0.01 0.37 -0.75 4.76 4.48 2f33A1 ASN 192 HB2 0.08 0.10 0.21 -0.04 2.88 3.23 2f33A1 ASN 192 HB3 0.06 -0.00 0.00 -0.04 2.79 2.81 2f33A1 ASN 192 HD21 0.02 0.02 0.01 -0.04 7.03 7.04 2f33A1 ASN 192 HD22 0.00 -0.02 0.00 -0.04 7.74 7.68 2f33A1 LYS 193 H 0.10 0.46 -0.26 -0.55 8.42 8.18 2f33A1 LYS 193 HA 0.04 0.09 0.52 -0.75 4.32 4.21 2f33A1 LYS 193 HB2 0.04 0.07 0.10 -0.04 1.87 2.04 2f33A1 LYS 193 HB3 0.02 -0.01 0.10 -0.04 1.79 1.87 2f33A1 LYS 193 HG2 -0.02 0.01 -0.12 -0.04 1.46 1.29 2f33A1 LYS 193 HG3 0.00 -0.01 0.03 -0.04 1.46 1.45 2f33A1 LYS 193 HD2 0.02 -0.00 -0.02 -0.04 1.69 1.64 2f33A1 LYS 193 HD3 0.00 0.01 -0.04 -0.04 1.68 1.61 2f33A1 LYS 193 HE2 0.01 -0.00 -0.02 -0.04 2.99 2.94 2f33A1 LYS 193 HE3 0.01 -0.00 -0.02 -0.04 2.99 2.93 2f33A1 ALA 194 H 0.06 0.83 -0.01 -0.55 8.40 8.73 2f33A1 ALA 194 HA -0.32 0.05 0.42 -0.75 4.34 3.74 2f33A1 ALA 194 HB3 -0.02 0.11 0.10 -0.04 1.41 1.56 2f33A1 PHE 195 H 0.33 0.65 -0.17 -0.55 8.34 8.59 2f33A1 PHE 195 HA 0.49 -0.04 0.30 -0.75 4.62 4.62 2f33A1 PHE 195 HB2 0.28 0.49 0.17 -0.04 3.15 4.05 2f33A1 PHE 195 HB3 0.14 0.02 -0.05 -0.04 3.06 3.13 2f33A1 PHE 195 HD2 0.43 0.06 -0.08 -0.04 7.28 7.64 2f33A1 PHE 195 HE2 0.33 -0.01 -0.11 -0.04 7.38 7.55 2f33A1 PHE 195 HZ 0.15 -0.02 -0.16 -0.04 7.32 7.25 2f33A1 GLU 196 H 0.15 0.43 -0.39 -0.55 8.60 8.25 2f33A1 GLU 196 HA 0.08 -0.09 0.35 -0.75 4.29 3.88 2f33A1 GLU 196 HB2 0.03 0.13 0.23 -0.04 2.09 2.44 2f33A1 GLU 196 HB3 0.01 -0.01 0.02 -0.04 1.99 1.97 2f33A1 GLU 196 HG2 0.07 -0.11 0.07 -0.04 2.34 2.33 2f33A1 GLU 196 HG3 0.09 0.22 0.13 -0.04 2.34 2.73 2f33A1 LEU 197 H -0.19 0.40 -0.46 -0.55 8.37 7.57 2f33A1 LEU 197 HA -0.09 0.03 0.36 -0.75 4.35 3.89 2f33A1 LEU 197 HB2 -0.26 0.03 0.18 -0.04 1.64 1.55 2f33A1 LEU 197 HB3 -0.52 0.02 0.09 -0.04 1.64 1.18 2f33A1 LEU 197 HG -0.11 -0.05 -0.00 -0.04 1.64 1.43 2f33A1 LEU 197 HD13 -0.05 -0.00 -0.08 -0.04 0.93 0.76 2f33A1 LEU 197 HD23 -0.06 -0.00 -0.01 -0.04 0.89 0.78 2f33A1 TYR 198 H -0.56 0.68 -0.06 -0.55 8.29 7.80 2f33A1 TYR 198 HA -0.07 0.00 0.39 -0.75 4.56 4.12 2f33A1 TYR 198 HB2 -0.32 0.08 0.08 -0.04 3.06 2.87 2f33A1 TYR 198 HB3 -0.20 -0.20 0.08 -0.04 2.98 2.62 2f33A1 TYR 198 HD2 -0.27 -0.08 -0.14 -0.04 7.15 6.62 2f33A1 TYR 198 HE2 0.00 0.00 -0.11 -0.04 6.85 6.70 2f33A1 ASP 199 H -0.00 0.46 -0.62 -0.55 8.40 7.69 2f33A1 ASP 199 HA 0.02 -0.04 0.58 -0.75 4.63 4.43 2f33A1 ASP 199 HB2 0.09 -0.03 -0.03 -0.04 2.71 2.70 2f33A1 ASP 199 HB3 0.04 0.32 0.31 -0.04 2.70 3.33 2f33A1 GLN 200 H 0.01 0.54 0.24 -0.55 8.47 8.71 2f33A1 GLN 200 HA 0.00 0.21 0.47 -0.75 4.36 4.29 2f33A1 GLN 200 HB2 0.00 -0.03 0.02 -0.04 2.15 2.09 2f33A1 GLN 200 HB3 0.01 0.08 0.12 -0.04 2.02 2.18 2f33A1 GLN 200 HG2 0.01 0.17 0.20 -0.04 2.40 2.74 2f33A1 GLN 200 HG3 -0.00 -0.18 0.26 -0.04 2.39 2.42 2f33A1 GLN 200 HE21 -0.01 -0.05 0.08 -0.04 6.97 6.94 2f33A1 GLN 200 HE22 -0.01 -0.01 0.03 -0.04 7.69 7.66 2f33A1 ASP 201 H 0.01 0.02 -0.05 -0.55 8.40 7.82 2f33A1 ASP 201 HA 0.01 0.22 0.67 -0.75 4.63 4.76 2f33A1 ASP 201 HB2 0.01 -0.07 0.12 -0.04 2.71 2.72 2f33A1 ASP 201 HB3 0.01 0.03 -0.02 -0.04 2.70 2.68 2f33A1 GLY 202 H 0.02 0.12 -0.42 -0.55 8.43 7.60 2f33A1 GLY 202 HA2 0.02 0.08 0.30 -0.51 4.01 3.91 2f33A1 GLY 202 HA3 0.01 0.16 0.45 -0.51 4.01 4.13 2f33A1 ASN 203 H 0.03 -0.05 -0.08 -0.55 8.53 7.89 2f33A1 ASN 203 HA 0.02 0.30 0.77 -0.75 4.76 5.10 2f33A1 ASN 203 HB2 0.05 -0.08 0.04 -0.04 2.88 2.85 2f33A1 ASN 203 HB3 0.05 0.03 0.05 -0.04 2.79 2.88 2f33A1 ASN 203 HD21 0.02 0.04 0.00 -0.04 7.03 7.05 2f33A1 ASN 203 HD22 0.02 0.02 -0.07 -0.04 7.74 7.67 2f33A1 GLY 204 H 0.05 0.04 -0.02 -0.55 8.43 7.95 2f33A1 GLY 204 HA2 0.06 0.02 0.29 -0.51 4.01 3.87 2f33A1 GLY 204 HA3 0.02 0.21 0.60 -0.51 4.01 4.33 2f33A1 TYR 205 H 0.12 0.02 -0.17 -0.55 8.29 7.71 2f33A1 TYR 205 HA -0.13 0.17 0.92 -0.75 4.56 4.76 2f33A1 TYR 205 HB2 -0.19 0.11 -0.30 -0.04 3.06 2.64 2f33A1 TYR 205 HB3 -0.09 -0.07 -0.06 -0.04 2.98 2.72 2f33A1 TYR 205 HD2 -0.24 -0.00 -0.01 -0.04 7.15 6.86 2f33A1 TYR 205 HE2 -0.05 -0.11 -0.58 -0.04 6.85 6.07 2f33A1 ILE 206 H 0.17 0.58 0.26 -0.55 8.25 8.70 2f33A1 ILE 206 HA -0.13 0.15 0.97 -0.75 4.18 4.42 2f33A1 ILE 206 HB 0.22 -0.03 -0.03 -0.04 1.89 2.01 2f33A1 ILE 206 HG12 -0.23 -0.06 -0.02 -0.04 1.49 1.15 2f33A1 ILE 206 HG13 -0.17 0.08 -0.22 -0.04 1.21 0.87 2f33A1 ILE 206 HG23 -0.09 -0.01 -0.38 -0.04 0.93 0.40 2f33A1 ILE 206 HD13 -1.23 0.01 -0.12 -0.04 0.88 -0.50 2f33A1 ASP 207 H -0.19 0.15 0.23 -0.55 8.40 8.05 2f33A1 ASP 207 HA -0.24 -0.02 1.09 -0.75 4.63 4.71 2f33A1 ASP 207 HB2 -0.12 0.12 0.25 -0.04 2.71 2.93 2f33A1 ASP 207 HB3 -0.24 0.13 0.12 -0.04 2.70 2.67 2f33A1 GLU 208 H -0.07 0.64 0.23 -0.55 8.60 8.85 2f33A1 GLU 208 HA -0.03 0.07 0.29 -0.75 4.29 3.87 2f33A1 GLU 208 HB2 -0.03 0.05 0.09 -0.04 2.09 2.16 2f33A1 GLU 208 HB3 -0.02 0.05 0.11 -0.04 1.99 2.09 2f33A1 GLU 208 HG2 -0.02 0.10 0.10 -0.04 2.34 2.47 2f33A1 GLU 208 HG3 -0.05 -0.18 0.07 -0.04 2.34 2.14 2f33A1 ASN 209 H -0.08 -0.00 -0.77 -0.55 8.53 7.13 2f33A1 ASN 209 HA -0.06 0.16 0.61 -0.75 4.76 4.72 2f33A1 ASN 209 HB2 -0.07 -0.03 0.12 -0.04 2.88 2.86 2f33A1 ASN 209 HB3 -0.05 0.07 0.05 -0.04 2.79 2.82 2f33A1 ASN 209 HD21 -0.03 0.03 0.01 -0.04 7.03 6.99 2f33A1 ASN 209 HD22 -0.03 0.05 -0.00 -0.04 7.74 7.71 2f33A1 GLU 210 H -0.11 0.15 0.11 -0.55 8.60 8.20 2f33A1 GLU 210 HA -0.14 0.10 0.40 -0.75 4.29 3.90 2f33A1 GLU 210 HB2 -0.17 -0.03 0.22 -0.04 2.09 2.06 2f33A1 GLU 210 HB3 -0.25 0.02 -0.03 -0.04 1.99 1.70 2f33A1 GLU 210 HG2 0.00 0.15 0.16 -0.04 2.34 2.61 2f33A1 GLU 210 HG3 -0.05 -0.03 0.17 -0.04 2.34 2.39 2f33A1 LEU 211 H -0.14 0.34 -0.67 -0.55 8.37 7.36 2f33A1 LEU 211 HA -0.17 0.03 0.28 -0.75 4.35 3.74 2f33A1 LEU 211 HB2 -0.06 0.13 0.02 -0.04 1.64 1.69 2f33A1 LEU 211 HB3 -0.02 0.01 0.06 -0.04 1.64 1.64 2f33A1 LEU 211 HG 0.06 -0.06 -0.10 -0.04 1.64 1.50 2f33A1 LEU 211 HD13 0.01 -0.00 -0.43 -0.04 0.93 0.47 2f33A1 LEU 211 HD23 0.04 0.00 -0.16 -0.04 0.89 0.73 2f33A1 ASP 212 H -0.10 0.48 -0.17 -0.55 8.40 8.06 2f33A1 ASP 212 HA -0.04 0.01 0.44 -0.75 4.63 4.28 2f33A1 ASP 212 HB2 -0.04 -0.06 0.02 -0.04 2.71 2.59 2f33A1 ASP 212 HB3 -0.04 0.02 0.12 -0.04 2.70 2.76 2f33A1 ALA 213 H -0.18 0.33 -0.47 -0.55 8.40 7.53 2f33A1 ALA 213 HA -0.10 0.03 0.40 -0.75 4.34 3.92 2f33A1 ALA 213 HB3 -0.13 0.01 0.09 -0.04 1.41 1.35 2f33A1 LEU 214 H -0.44 0.24 -0.59 -0.55 8.37 7.03 2f33A1 LEU 214 HA -1.30 0.07 0.50 -0.75 4.35 2.86 2f33A1 LEU 214 HB2 -0.89 -0.05 -0.02 -0.04 1.64 0.64 2f33A1 LEU 214 HB3 -0.32 0.22 0.25 -0.04 1.64 1.75 2f33A1 LEU 214 HG 0.12 -0.08 -0.09 -0.04 1.64 1.55 2f33A1 LEU 214 HD13 0.09 0.01 -0.25 -0.04 0.93 0.73 2f33A1 LEU 214 HD23 0.01 -0.03 -0.11 -0.04 0.89 0.72 2f33A1 LEU 215 H -0.12 0.61 0.02 -0.55 8.37 8.34 2f33A1 LEU 215 HA 0.01 0.02 0.33 -0.75 4.35 3.95 2f33A1 LEU 215 HB2 0.01 0.07 0.09 -0.04 1.64 1.77 2f33A1 LEU 215 HB3 0.05 -0.11 -0.08 -0.04 1.64 1.45 2f33A1 LEU 215 HG 0.21 0.00 -0.05 -0.04 1.64 1.76 2f33A1 LEU 215 HD13 0.15 0.01 -0.09 -0.04 0.93 0.96 2f33A1 LEU 215 HD23 0.09 0.02 -0.34 -0.04 0.89 0.61 2f33A1 LYS 216 H -0.06 0.67 -0.31 -0.55 8.42 8.16 2f33A1 LYS 216 HA -0.00 -0.07 0.29 -0.75 4.32 3.77 2f33A1 LYS 216 HB2 -0.03 0.13 0.11 -0.04 1.87 2.04 2f33A1 LYS 216 HB3 0.01 0.06 -0.08 -0.04 1.79 1.74 2f33A1 LYS 216 HG2 -0.00 0.01 -0.01 -0.04 1.46 1.42 2f33A1 LYS 216 HG3 0.00 -0.04 0.04 -0.04 1.46 1.42 2f33A1 LYS 216 HD2 -0.01 -0.10 -0.02 -0.04 1.69 1.52 2f33A1 LYS 216 HD3 -0.02 0.13 -0.05 -0.04 1.68 1.71 2f33A1 LYS 216 HE2 -0.01 0.00 -0.04 -0.04 2.99 2.90 2f33A1 LYS 216 HE3 -0.01 0.01 -0.01 -0.04 2.99 2.95 2f33A1 ASP 217 H 0.02 0.32 -0.57 -0.55 8.40 7.62 2f33A1 ASP 217 HA 0.04 0.05 0.42 -0.75 4.63 4.38 2f33A1 ASP 217 HB2 0.14 0.22 0.16 -0.04 2.71 3.19 2f33A1 ASP 217 HB3 0.06 -0.03 -0.08 -0.04 2.70 2.62 2f33A1 LEU 218 H 0.01 0.27 -0.05 -0.55 8.37 8.04 2f33A1 LEU 218 HA -0.03 0.04 0.34 -0.75 4.35 3.94 2f33A1 LEU 218 HB2 -0.04 -0.02 0.22 -0.04 1.64 1.75 2f33A1 LEU 218 HB3 -0.16 -0.05 -0.08 -0.04 1.64 1.31 2f33A1 LEU 218 HG 0.04 -0.03 -0.05 -0.04 1.64 1.55 2f33A1 LEU 218 HD13 -0.00 0.02 0.02 -0.04 0.93 0.93 2f33A1 LEU 218 HD23 0.03 0.03 -0.11 -0.04 0.89 0.80 2f33A1 CYS 219 H -0.02 0.70 -0.09 -0.55 8.50 8.54 2f33A1 CYS 219 HA -0.04 0.24 0.35 -0.75 4.58 4.37 2f33A1 CYS 219 HB2 0.01 -0.10 -0.02 -0.04 2.97 2.81 2f33A1 CYS 219 HB3 0.02 -0.16 -0.29 -0.04 2.97 2.50 2f33A1 GLU 220 H -0.00 0.41 -0.23 -0.55 8.60 8.23 2f33A1 GLU 220 HA -0.00 -0.05 0.38 -0.75 4.29 3.86 2f33A1 GLU 220 HB2 0.00 0.28 0.20 -0.04 2.09 2.53 2f33A1 GLU 220 HB3 0.00 0.02 -0.01 -0.04 1.99 1.96 2f33A1 GLU 220 HG2 0.00 -0.02 0.05 -0.04 2.34 2.34 2f33A1 GLU 220 HG3 0.00 -0.06 0.09 -0.04 2.34 2.33 2f33A1 LYS 221 H -0.01 0.24 -0.70 -0.55 8.42 7.39 2f33A1 LYS 221 HA -0.01 0.05 0.67 -0.75 4.32 4.28 2f33A1 LYS 221 HB2 -0.02 0.08 0.19 -0.04 1.87 2.08 2f33A1 LYS 221 HB3 -0.01 -0.06 0.01 -0.04 1.79 1.69 2f33A1 LYS 221 HG2 0.00 -0.06 -0.01 -0.04 1.46 1.36 2f33A1 LYS 221 HG3 0.01 0.25 -0.06 -0.04 1.46 1.62 2f33A1 LYS 221 HD2 0.01 -0.07 -0.21 -0.04 1.69 1.37 2f33A1 LYS 221 HD3 0.01 0.01 -0.04 -0.04 1.68 1.62 2f33A1 LYS 221 HE2 0.02 0.01 -0.06 -0.04 2.99 2.92 2f33A1 LYS 221 HE3 0.02 -0.08 -0.06 -0.04 2.99 2.83 2f33A1 ASN 222 H -0.04 0.64 0.03 -0.55 8.53 8.61 2f33A1 ASN 222 HA -0.02 0.11 0.70 -0.75 4.76 4.80 2f33A1 ASN 222 HB2 -0.06 0.06 0.00 -0.04 2.88 2.84 2f33A1 ASN 222 HB3 -0.05 -0.25 0.13 -0.04 2.79 2.57 2f33A1 ASN 222 HD21 -0.03 -0.02 -0.13 -0.04 7.03 6.80 2f33A1 ASN 222 HD22 -0.01 0.04 -0.07 -0.04 7.74 7.66 2f33A1 LYS 223 H -0.02 0.27 0.06 -0.55 8.42 8.19 2f33A1 LYS 223 HA -0.01 0.26 0.36 -0.75 4.32 4.18 2f33A1 LYS 223 HB2 -0.01 0.07 0.13 -0.04 1.87 2.02 2f33A1 LYS 223 HB3 -0.00 -0.01 -0.03 -0.04 1.79 1.71 2f33A1 LYS 223 HG2 0.00 -0.03 0.05 -0.04 1.46 1.44 2f33A1 LYS 223 HG3 0.00 -0.11 0.14 -0.04 1.46 1.45 2f33A1 LYS 223 HD2 -0.00 0.16 0.02 -0.04 1.69 1.83 2f33A1 LYS 223 HD3 -0.00 -0.04 0.00 -0.04 1.68 1.60 2f33A1 LYS 223 HE2 -0.00 0.27 -0.06 -0.04 2.99 3.17 2f33A1 LYS 223 HE3 0.00 -0.02 -0.25 -0.04 2.99 2.68 2f33A1 GLN 224 H -0.02 0.02 -0.80 -0.55 8.47 7.12 2f33A1 GLN 224 HA -0.01 0.12 0.49 -0.75 4.36 4.21 2f33A1 GLN 224 HB2 -0.02 0.04 -0.05 -0.04 2.15 2.07 2f33A1 GLN 224 HB3 -0.01 0.03 0.03 -0.04 2.02 2.03 2f33A1 GLN 224 HG2 -0.01 0.02 -0.02 -0.04 2.40 2.35 2f33A1 GLN 224 HG3 -0.01 -0.12 -0.05 -0.04 2.39 2.17 2f33A1 GLN 224 HE21 -0.01 -0.05 0.02 -0.04 6.97 6.88 2f33A1 GLN 224 HE22 -0.01 0.05 0.02 -0.04 7.69 7.72 2f33A1 GLU 225 H -0.05 0.30 -0.16 -0.55 8.60 8.14 2f33A1 GLU 225 HA -0.04 0.19 0.86 -0.75 4.29 4.55 2f33A1 GLU 225 HB2 -0.19 -0.04 -0.07 -0.04 2.09 1.75 2f33A1 GLU 225 HB3 -0.07 0.02 -0.05 -0.04 1.99 1.85 2f33A1 GLU 225 HG2 -0.10 0.09 0.11 -0.04 2.34 2.40 2f33A1 GLU 225 HG3 -0.15 0.02 -0.11 -0.04 2.34 2.05 2f33A1 LEU 226 H -0.09 0.80 0.18 -0.55 8.37 8.71 2f33A1 LEU 226 HA -0.20 0.12 0.87 -0.75 4.35 4.38 2f33A1 LEU 226 HB2 -0.13 0.14 -0.26 -0.04 1.64 1.34 2f33A1 LEU 226 HB3 -0.20 -0.12 -0.19 -0.04 1.64 1.09 2f33A1 LEU 226 HG -0.51 -0.01 -0.67 -0.04 1.64 0.41 2f33A1 LEU 226 HD13 -0.18 0.04 -0.14 -0.04 0.93 0.62 2f33A1 LEU 226 HD23 -0.91 -0.01 -0.11 -0.04 0.89 -0.19 2f33A1 ASP 227 H 0.33 0.21 -0.05 -0.55 8.40 8.35 2f33A1 ASP 227 HA 0.04 0.24 0.79 -0.75 4.63 4.94 2f33A1 ASP 227 HB2 0.07 0.02 0.13 -0.04 2.71 2.88 2f33A1 ASP 227 HB3 0.02 -0.17 0.07 -0.04 2.70 2.58 2f33A1 ILE 228 H 0.02 0.34 0.18 -0.55 8.25 8.24 2f33A1 ILE 228 HA 0.03 0.04 0.32 -0.75 4.18 3.81 2f33A1 ILE 228 HB 0.01 0.08 0.10 -0.04 1.89 2.04 2f33A1 ILE 228 HG12 -0.00 0.02 0.05 -0.04 1.49 1.52 2f33A1 ILE 228 HG13 0.00 -0.06 0.13 -0.04 1.21 1.24 2f33A1 ILE 228 HG23 0.00 0.00 -0.02 -0.04 0.93 0.88 2f33A1 ILE 228 HD13 -0.00 0.03 0.02 -0.04 0.88 0.88 2f33A1 ASN 229 H 0.00 -0.03 -0.83 -0.55 8.53 7.12 2f33A1 ASN 229 HA -0.02 0.21 0.65 -0.75 4.76 4.85 2f33A1 ASN 229 HB2 -0.01 -0.05 0.07 -0.04 2.88 2.85 2f33A1 ASN 229 HB3 -0.03 0.07 -0.03 -0.04 2.79 2.76 2f33A1 ASN 229 HD21 -0.01 0.01 0.00 -0.04 7.03 6.99 2f33A1 ASN 229 HD22 -0.01 0.04 -0.01 -0.04 7.74 7.72 2f33A1 ASN 230 H -0.05 0.10 -0.01 -0.55 8.53 8.03 2f33A1 ASN 230 HA -0.16 0.15 0.60 -0.75 4.76 4.59 2f33A1 ASN 230 HB2 -0.17 0.00 0.13 -0.04 2.88 2.80 2f33A1 ASN 230 HB3 -0.71 -0.00 0.05 -0.04 2.79 2.09 2f33A1 ASN 230 HD21 -0.08 -0.11 -0.10 -0.04 7.03 6.69 2f33A1 ASN 230 HD22 -0.07 0.06 -0.03 -0.04 7.74 7.66 2f33A1 ILE 231 H -0.01 0.29 -0.28 -0.55 8.25 7.70 2f33A1 ILE 231 HA 0.30 0.04 0.33 -0.75 4.18 4.10 2f33A1 ILE 231 HB 0.03 0.05 0.03 -0.04 1.89 1.96 2f33A1 ILE 231 HG12 0.11 0.08 -1.29 -0.04 1.49 0.34 2f33A1 ILE 231 HG13 0.04 0.03 -0.31 -0.04 1.21 0.93 2f33A1 ILE 231 HG23 0.02 -0.01 -0.29 -0.04 0.93 0.61 2f33A1 ILE 231 HD13 0.11 -0.02 -0.19 -0.04 0.88 0.74 2f33A1 SER 232 H -0.03 0.33 -0.26 -0.55 8.46 7.96 2f33A1 SER 232 HA -0.03 0.03 0.34 -0.75 4.49 4.08 2f33A1 SER 232 HB2 -0.04 0.12 0.08 -0.04 3.95 4.07 2f33A1 SER 232 HB3 -0.04 0.04 -0.07 -0.04 3.93 3.82 2f33A1 THR 233 H -0.12 0.07 -0.94 -0.55 8.28 6.74 2f33A1 THR 233 HA -0.11 0.06 0.54 -0.75 4.39 4.12 2f33A1 THR 233 HB -0.23 -0.04 0.24 -0.04 4.32 4.25 2f33A1 THR 233 HG23 -0.35 -0.01 -0.09 -0.04 1.22 0.72 2f33A1 TYR 234 H -0.16 0.59 0.22 -0.55 8.29 8.39 2f33A1 TYR 234 HA -0.12 -0.03 0.45 -0.75 4.56 4.10 2f33A1 TYR 234 HB2 -0.04 0.05 0.20 -0.04 3.06 3.23 2f33A1 TYR 234 HB3 0.08 -0.03 0.04 -0.04 2.98 3.02 2f33A1 TYR 234 HD2 0.02 -0.09 -0.05 -0.04 7.15 6.99 2f33A1 TYR 234 HE2 0.04 -0.28 0.08 -0.04 6.85 6.65 2f33A1 LYS 235 H 0.03 0.63 -0.42 -0.55 8.42 8.11 2f33A1 LYS 235 HA 0.04 -0.00 0.26 -0.75 4.32 3.86 2f33A1 LYS 235 HB2 -0.02 -0.11 -0.51 -0.04 1.87 1.18 2f33A1 LYS 235 HB3 -0.02 0.13 0.07 -0.04 1.79 1.93 2f33A1 LYS 235 HG2 -0.03 -0.10 0.01 -0.04 1.46 1.29 2f33A1 LYS 235 HG3 -0.05 -0.22 0.18 -0.04 1.46 1.33 2f33A1 LYS 235 HD2 -0.04 -0.08 0.01 -0.04 1.69 1.54 2f33A1 LYS 235 HD3 -0.04 0.38 0.03 -0.04 1.68 2.01 2f33A1 LYS 235 HE2 -0.04 -0.01 -0.24 -0.04 2.99 2.66 2f33A1 LYS 235 HE3 -0.03 -0.12 -0.23 -0.04 2.99 2.57 2f33A1 LYS 236 H -0.06 0.20 -0.48 -0.55 8.42 7.52 2f33A1 LYS 236 HA -0.05 0.05 0.52 -0.75 4.32 4.09 2f33A1 LYS 236 HB2 -0.06 -0.04 0.08 -0.04 1.87 1.82 2f33A1 LYS 236 HB3 -0.08 0.09 0.32 -0.04 1.79 2.08 2f33A1 LYS 236 HG2 -0.16 0.06 0.02 -0.04 1.46 1.34 2f33A1 LYS 236 HG3 -0.08 -0.06 -0.24 -0.04 1.46 1.04 2f33A1 LYS 236 HD2 -0.11 -0.09 0.12 -0.04 1.69 1.57 2f33A1 LYS 236 HD3 -0.08 -0.06 -0.01 -0.04 1.68 1.50 2f33A1 LYS 236 HE2 -0.04 -0.00 -0.03 -0.04 2.99 2.88 2f33A1 LYS 236 HE3 -0.06 0.01 -0.02 -0.04 2.99 2.88 2f33A1 ASN 237 H -0.23 0.73 0.01 -0.55 8.53 8.49 2f33A1 ASN 237 HA -0.22 0.10 0.43 -0.75 4.76 4.31 2f33A1 ASN 237 HB2 -1.19 0.07 0.20 -0.04 2.88 1.92 2f33A1 ASN 237 HB3 -1.88 -0.04 0.07 -0.04 2.79 0.90 2f33A1 ASN 237 HD21 -0.79 -0.04 0.03 -0.04 7.03 6.20 2f33A1 ASN 237 HD22 -0.17 0.02 -0.02 -0.04 7.74 7.53 2f33A1 ILE 238 H -0.14 0.48 -0.07 -0.55 8.25 7.97 2f33A1 ILE 238 HA 0.10 0.05 0.29 -0.75 4.18 3.86 2f33A1 ILE 238 HB 0.11 -0.01 -0.15 -0.04 1.89 1.81 2f33A1 ILE 238 HG12 0.16 -0.05 0.10 -0.04 1.49 1.66 2f33A1 ILE 238 HG13 0.08 0.23 0.21 -0.04 1.21 1.69 2f33A1 ILE 238 HG23 0.15 -0.00 0.04 -0.04 0.93 1.07 2f33A1 ILE 238 HD13 0.22 -0.04 -0.07 -0.04 0.88 0.94 2f33A1 MET 239 H -0.02 0.18 -0.94 -0.55 8.47 7.15 2f33A1 MET 239 HA 0.05 -0.12 0.25 -0.75 4.52 3.94 2f33A1 MET 239 HB2 -0.01 0.37 0.26 -0.04 2.15 2.73 2f33A1 MET 239 HB3 -0.02 0.49 0.13 -0.04 2.03 2.59 2f33A1 MET 239 HG2 -0.01 -0.06 0.06 -0.04 2.63 2.58 2f33A1 MET 239 HG3 -0.01 0.02 -0.04 -0.04 2.56 2.49 2f33A1 MET 239 HE3 0.02 -0.03 -0.15 -0.04 2.10 1.90 2f33A1 ALA 240 H -0.02 0.58 -0.32 -0.55 8.40 8.09 2f33A1 ALA 240 HA -0.01 -0.04 0.37 -0.75 4.34 3.91 2f33A1 ALA 240 HB3 -0.01 -0.06 0.15 -0.04 1.41 1.45 2f33A1 LEU 241 H 0.04 0.45 -0.67 -0.55 8.37 7.65 2f33A1 LEU 241 HA -0.09 0.19 0.85 -0.75 4.35 4.55 2f33A1 LEU 241 HB2 0.12 -0.01 -0.09 -0.04 1.64 1.61 2f33A1 LEU 241 HB3 0.12 -0.11 0.10 -0.04 1.64 1.71 2f33A1 LEU 241 HG 0.11 0.06 -0.11 -0.04 1.64 1.66 2f33A1 LEU 241 HD13 0.24 0.02 -0.03 -0.04 0.93 1.12 2f33A1 LEU 241 HD23 0.14 -0.09 -0.53 -0.04 0.89 0.37 2f33A1 SER 242 H 0.06 0.44 -0.21 -0.55 8.46 8.20 2f33A1 SER 242 HA 0.24 -0.04 0.48 -0.75 4.49 4.42 2f33A1 SER 242 HB2 0.15 -0.09 -0.04 -0.04 3.95 3.92 2f33A1 SER 242 HB3 0.09 0.30 0.08 -0.04 3.93 4.35 2f33A1 ASP 243 H 0.37 0.19 0.31 -0.55 8.40 8.72 2f33A1 ASP 243 HA 0.21 0.18 0.94 -0.75 4.63 5.21 2f33A1 ASP 243 HB2 0.10 -0.02 0.10 -0.04 2.71 2.85 2f33A1 ASP 243 HB3 0.50 0.06 0.22 -0.04 2.70 3.44 2f33A1 GLY 244 H 0.10 0.27 0.10 -0.55 8.43 8.35 2f33A1 GLY 244 HA2 0.06 0.06 0.31 -0.51 4.01 3.92 2f33A1 GLY 244 HA3 0.09 0.08 0.39 -0.51 4.01 4.06 2f33A1 GLY 245 H 0.07 0.17 -0.32 -0.55 8.43 7.80 2f33A1 GLY 245 HA2 0.02 0.01 0.23 -0.51 4.01 3.76 2f33A1 GLY 245 HA3 0.02 0.14 0.48 -0.51 4.01 4.14 2f33A1 LYS 246 H 0.13 0.55 -0.81 -0.55 8.42 7.74 2f33A1 LYS 246 HA -0.21 -0.18 0.95 -0.75 4.32 4.13 2f33A1 LYS 246 HB2 0.14 0.15 0.00 -0.04 1.87 2.12 2f33A1 LYS 246 HB3 -0.81 0.01 -0.06 -0.04 1.79 0.88 2f33A1 LYS 246 HG2 -0.24 -0.11 0.06 -0.04 1.46 1.13 2f33A1 LYS 246 HG3 -0.07 0.05 -0.08 -0.04 1.46 1.33 2f33A1 LYS 246 HD2 -0.22 -0.00 -0.08 -0.04 1.69 1.35 2f33A1 LYS 246 HD3 -0.61 0.05 -0.13 -0.04 1.68 0.95 2f33A1 LYS 246 HE2 -1.77 0.18 -0.61 -0.04 2.99 0.75 2f33A1 LYS 246 HE3 -0.48 -0.19 -0.34 -0.04 2.99 1.93 2f33A1 LEU 247 H -0.16 0.22 0.48 -0.55 8.37 8.36 2f33A1 LEU 247 HA 0.33 -0.19 0.84 -0.75 4.35 4.57 2f33A1 LEU 247 HB2 0.12 -0.05 -0.13 -0.04 1.64 1.54 2f33A1 LEU 247 HB3 0.12 0.11 -0.09 -0.04 1.64 1.74 2f33A1 LEU 247 HG 0.29 -0.01 -0.28 -0.04 1.64 1.59 2f33A1 LEU 247 HD13 0.50 -0.08 -0.91 -0.04 0.93 0.40 2f33A1 LEU 247 HD23 0.25 0.11 -0.07 -0.04 0.89 1.13 2f33A1 TYR 248 H 0.52 0.22 0.22 -0.55 8.29 8.70 2f33A1 TYR 248 HA 0.29 0.14 0.90 -0.75 4.56 5.14 2f33A1 TYR 248 HB2 0.05 0.11 0.25 -0.04 3.06 3.42 2f33A1 TYR 248 HB3 -0.02 0.02 0.16 -0.04 2.98 3.10 2f33A1 TYR 248 HD2 0.07 -0.05 0.04 -0.04 7.15 7.17 2f33A1 TYR 248 HE2 -0.17 0.05 -0.02 -0.04 6.85 6.67 2f33A1 ARG 249 H 0.17 0.30 0.17 -0.55 8.46 8.54 2f33A1 ARG 249 HA -0.24 -0.00 0.27 -0.75 4.34 3.61 2f33A1 ARG 249 HB2 -0.34 0.07 0.09 -0.04 1.90 1.68 2f33A1 ARG 249 HB3 -0.34 0.09 0.02 -0.04 1.80 1.53 2f33A1 ARG 249 HG2 -2.57 -0.10 0.06 -0.04 1.67 -0.99 2f33A1 ARG 249 HG3 -1.84 0.10 -0.05 -0.04 1.67 -0.16 2f33A1 ARG 249 HD2 -0.70 -0.17 -0.16 -0.04 3.22 2.15 2f33A1 ARG 249 HD3 -0.89 -0.01 -0.12 -0.04 3.22 2.16 2f33A1 THR 250 H -0.01 0.12 -0.55 -0.55 8.28 7.29 2f33A1 THR 250 HA -0.15 -0.02 0.26 -0.75 4.39 3.73 2f33A1 THR 250 HB -0.09 0.22 0.01 -0.04 4.32 4.41 2f33A1 THR 250 HG23 -0.12 -0.01 0.06 -0.04 1.22 1.11 2f33A1 ASP 251 H 0.05 0.44 -0.63 -0.55 8.40 7.71 2f33A1 ASP 251 HA 0.13 0.09 0.65 -0.75 4.63 4.75 2f33A1 ASP 251 HB2 0.16 -0.12 -0.33 -0.04 2.71 2.37 2f33A1 ASP 251 HB3 0.13 0.08 -0.07 -0.04 2.70 2.79 2f33A1 LEU 252 H -0.02 0.21 -0.04 -0.55 8.37 7.98 2f33A1 LEU 252 HA 0.14 0.14 0.59 -0.75 4.35 4.46 2f33A1 LEU 252 HB2 0.11 0.02 0.04 -0.04 1.64 1.76 2f33A1 LEU 252 HB3 0.57 -0.01 -0.07 -0.04 1.64 2.10 2f33A1 LEU 252 HG 0.49 -0.01 -0.16 -0.04 1.64 1.92 2f33A1 LEU 252 HD13 0.41 -0.00 -0.17 -0.04 0.93 1.13 2f33A1 LEU 252 HD23 0.18 -0.04 -0.41 -0.04 0.89 0.58 2f33A1 ALA 253 H -0.55 0.58 0.04 -0.55 8.40 7.92 2f33A1 ALA 253 HA -2.79 -0.00 0.29 -0.75 4.34 1.09 2f33A1 ALA 253 HB3 -0.57 0.05 -0.01 -0.04 1.41 0.85 2f33A1 LEU 254 H -0.06 0.23 -0.58 -0.55 8.37 7.41 2f33A1 LEU 254 HA 0.12 -0.00 0.41 -0.75 4.35 4.13 2f33A1 LEU 254 HB2 0.23 -0.15 0.11 -0.04 1.64 1.79 2f33A1 LEU 254 HB3 0.29 0.15 0.22 -0.04 1.64 2.26 2f33A1 LEU 254 HG 0.12 -0.08 -0.25 -0.04 1.64 1.39 2f33A1 LEU 254 HD13 0.07 -0.04 -0.24 -0.04 0.93 0.68 2f33A1 LEU 254 HD23 0.60 0.04 0.04 -0.04 0.89 1.53 2f33A1 ILE 255 H 0.03 0.44 -0.49 -0.55 8.25 7.69 2f33A1 ILE 255 HA -0.11 -0.02 0.39 -0.75 4.18 3.68 2f33A1 ILE 255 HB -0.00 0.13 0.22 -0.04 1.89 2.20 2f33A1 ILE 255 HG12 0.12 -0.05 -0.01 -0.04 1.49 1.51 2f33A1 ILE 255 HG13 0.04 -0.06 0.00 -0.04 1.21 1.15 2f33A1 ILE 255 HG23 -0.80 0.01 -0.22 -0.04 0.93 -0.11 2f33A1 ILE 255 HD13 0.20 0.02 -0.06 -0.04 0.88 0.99 2f33A1 LEU 256 H 0.24 0.23 -0.19 -0.55 8.37 8.11 2f33A1 LEU 256 HA 0.11 0.41 0.69 -0.75 4.35 4.80 2f33A1 LEU 256 HB2 0.26 0.13 -0.07 -0.04 1.64 1.92 2f33A1 LEU 256 HB3 -0.35 -0.04 -0.26 -0.04 1.64 0.95 2f33A1 LEU 256 HG 0.02 0.00 -0.17 -0.04 1.64 1.45 2f33A1 LEU 256 HD13 -0.08 -0.02 -0.00 -0.04 0.93 0.78 2f33A1 LEU 256 HD23 -0.34 0.00 -0.12 -0.04 0.89 0.39 2f33A1 SER 257 H 0.19 0.30 -0.04 -0.55 8.46 8.37 2f33A1 SER 257 HA 0.31 -0.14 0.52 -0.75 4.49 4.42 2f33A1 SER 257 HB2 0.10 -0.27 0.11 -0.04 3.95 3.85 2f33A1 SER 257 HB3 0.06 0.26 0.05 -0.04 3.93 4.26 2f33A1 ALA 258 H 0.15 -0.11 0.22 -0.55 8.40 8.10 2f33A1 ALA 258 HA 0.10 0.27 0.31 -0.75 4.34 4.26 2f33A1 ALA 258 HB3 0.07 0.01 0.03 -0.04 1.41 1.48 2f33A1 GLY 259 H 0.08 -0.39 -0.73 -0.55 8.43 6.85 2f33A1 GLY 259 HA2 0.06 0.01 0.22 -0.51 4.01 3.80 2f33A1 GLY 259 HA3 0.07 0.34 0.89 -0.51 4.01 4.80 2f33A1 ASP 260 H 0.04 -0.20 0.02 -0.55 8.40 7.72 2f33A1 ASP 260 HA 0.01 0.13 0.29 -0.75 4.63 4.31 2f33A1 ASP 260 HB2 0.04 -0.16 0.14 -0.04 2.71 2.70 2f33A1 ASP 260 HB3 0.02 0.08 -0.09 -0.04 2.70 2.67 2f33A1 ASN 261 H -0.10 -0.09 -0.97 -0.55 8.53 6.83 2f33A1 ASN 261 HA -0.35 -0.02 0.04 -0.75 4.76 3.68 2f33A1 ASN 261 HB2 -0.10 0.23 0.20 -0.04 2.88 3.17 2f33A1 ASN 261 HB3 -0.18 -0.15 -0.06 -0.04 2.79 2.36 2f33A1 ASN 261 HD21 -0.02 0.04 -0.07 -0.04 7.03 6.93 2f33A1 ASN 261 HD22 -0.04 -0.04 -0.13 -0.04 7.74 7.49