============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. TYR 5 0.840 20.004 -17.613-101.001 -99.200 -91.000 PHE 6 1.000 20.273 -9.079 -99.807 -99.200 -91.000 PHE 11 1.000 22.886 -5.494 -86.502 -99.200 -91.000 TYR 15 0.840 25.226 -4.756 -78.645 -99.200 -91.000 PHE 23 1.000 15.964 9.860 -71.846 -99.200 -91.000 PHE 26 1.000 12.715 9.848 -79.730 -99.200 -91.000 HIS 55 0.900 12.662 -14.124 -84.714 -99.200 -91.000 PHE 56 1.000 18.001 -8.983 -86.531 -99.200 -91.000 PHE 58 1.000 13.758 -4.730 -80.955 -99.200 -91.000 PHE 71 1.000 13.623 -6.471 -86.399 -99.200 -91.000 PHE 103 1.000 8.791 3.308 -85.112 -99.200 -91.000 PHE 128 1.000 16.714 8.527 -77.876 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2f73D1 THR -7 HA -0.01 -0.07 0.21 -0.75 4.39 3.77 2f73D1 THR -7 HB 0.00 -0.01 0.05 -0.04 4.32 4.31 2f73D1 THR -7 HG23 -0.00 -0.01 -0.07 -0.04 1.22 1.10 2f73D1 GLU -6 H -0.02 0.19 0.15 -0.55 8.60 8.37 2f73D1 GLU -6 HA -0.06 0.10 0.43 -0.75 4.29 4.01 2f73D1 GLU -6 HB2 -0.10 -0.06 0.12 -0.04 2.09 2.01 2f73D1 GLU -6 HB3 -0.06 0.18 0.08 -0.04 1.99 2.15 2f73D1 GLU -6 HG2 -0.03 -0.06 -0.20 -0.04 2.34 2.00 2f73D1 GLU -6 HG3 -0.05 -0.02 -0.17 -0.04 2.34 2.06 2f73D1 ASN -5 H -0.20 0.18 0.16 -0.55 8.53 8.12 2f73D1 ASN -5 HA -0.14 0.26 1.22 -0.75 4.76 5.34 2f73D1 ASN -5 HB2 -1.42 -0.01 -0.15 -0.04 2.88 1.26 2f73D1 ASN -5 HB3 -0.22 0.04 -0.03 -0.04 2.79 2.54 2f73D1 ASN -5 HD21 -0.28 0.03 0.04 -0.04 7.03 6.78 2f73D1 ASN -5 HD22 -1.12 -0.02 0.01 -0.04 7.74 6.57 2f73D1 LEU -4 H -0.08 0.22 0.10 -0.55 8.37 8.06 2f73D1 LEU -4 HA -0.33 0.19 0.84 -0.75 4.35 4.29 2f73D1 LEU -4 HB2 0.13 -0.00 0.22 -0.04 1.64 1.95 2f73D1 LEU -4 HB3 -0.21 0.02 0.06 -0.04 1.64 1.47 2f73D1 LEU -4 HG -0.07 0.06 -0.17 -0.04 1.64 1.42 2f73D1 LEU -4 HD13 -0.00 -0.05 -0.07 -0.04 0.93 0.77 2f73D1 LEU -4 HD23 0.14 0.00 -0.01 -0.04 0.89 0.99 2f73D1 TYR -3 H -0.30 0.26 -0.03 -0.55 8.29 7.66 2f73D1 TYR -3 HA -0.09 0.07 0.73 -0.75 4.56 4.51 2f73D1 TYR -3 HB2 -0.11 0.01 0.16 -0.04 3.06 3.07 2f73D1 TYR -3 HB3 -0.05 0.08 0.02 -0.04 2.98 2.99 2f73D1 TYR -3 HD2 -0.03 0.04 -0.17 -0.04 7.15 6.95 2f73D1 TYR -3 HE2 -0.00 0.01 -0.04 -0.04 6.85 6.77 2f73D1 PHE -2 H 0.22 0.13 0.19 -0.55 8.34 8.33 2f73D1 PHE -2 HA 0.08 0.16 0.69 -0.75 4.62 4.80 2f73D1 PHE -2 HB2 0.09 -0.02 0.02 -0.04 3.15 3.19 2f73D1 PHE -2 HB3 0.07 -0.02 0.08 -0.04 3.06 3.15 2f73D1 PHE -2 HD2 0.07 0.01 0.02 -0.04 7.28 7.34 2f73D1 PHE -2 HE2 0.04 -0.00 0.01 -0.04 7.38 7.39 2f73D1 PHE -2 HZ 0.03 -0.02 -0.02 -0.04 7.32 7.27 2f73D1 GLN -1 H 0.26 0.25 0.10 -0.55 8.47 8.53 2f73D1 GLN -1 HA 0.13 0.08 0.70 -0.75 4.36 4.52 2f73D1 GLN -1 HB2 0.10 -0.06 0.01 -0.04 2.15 2.15 2f73D1 GLN -1 HB3 0.08 0.09 -0.04 -0.04 2.02 2.11 2f73D1 GLN -1 HG2 0.07 0.03 0.12 -0.04 2.40 2.57 2f73D1 GLN -1 HG3 0.07 0.03 -0.32 -0.04 2.39 2.14 2f73D1 GLN -1 HE21 0.03 -0.02 -0.02 -0.04 6.97 6.91 2f73D1 GLN -1 HE22 0.04 0.02 -0.07 -0.04 7.69 7.64 2f73D1 SER 0 H 0.14 0.15 0.13 -0.55 8.46 8.34 2f73D1 SER 0 HA 0.13 0.15 0.99 -0.75 4.49 5.01 2f73D1 SER 0 HB2 0.34 -0.05 -0.04 -0.04 3.95 4.16 2f73D1 SER 0 HB3 0.22 -0.02 -0.10 -0.04 3.93 3.99 2f73D1 MET 1 H 0.06 0.39 0.22 -0.55 8.47 8.59 2f73D1 MET 1 HA -0.00 0.09 0.48 -0.75 4.52 4.33 2f73D1 MET 1 HB2 -0.29 -0.09 0.26 -0.04 2.15 1.99 2f73D1 MET 1 HB3 -0.14 0.04 0.15 -0.04 2.03 2.04 2f73D1 MET 1 HG2 -0.04 0.26 0.21 -0.04 2.63 3.02 2f73D1 MET 1 HG3 -0.10 0.02 0.13 -0.04 2.56 2.57 2f73D1 MET 1 HE3 0.02 -0.01 -0.04 -0.04 2.10 2.02 2f73D1 SER 2 H -0.23 0.13 -0.09 -0.55 8.46 7.73 2f73D1 SER 2 HA 0.08 0.03 0.39 -0.75 4.49 4.24 2f73D1 SER 2 HB2 0.01 0.33 -0.01 -0.04 3.95 4.24 2f73D1 SER 2 HB3 -0.02 0.01 0.03 -0.04 3.93 3.91 2f73D1 PHE 3 H 0.49 0.15 -0.00 -0.55 8.34 8.43 2f73D1 PHE 3 HA 0.14 0.10 0.26 -0.75 4.62 4.37 2f73D1 PHE 3 HB2 0.14 -0.02 -0.11 -0.04 3.15 3.12 2f73D1 PHE 3 HB3 0.09 0.04 -0.03 -0.04 3.06 3.11 2f73D1 PHE 3 HD2 0.10 -0.00 -0.10 -0.04 7.28 7.23 2f73D1 PHE 3 HE2 0.06 0.02 -0.20 -0.04 7.38 7.22 2f73D1 PHE 3 HZ 0.03 -0.09 -0.65 -0.04 7.32 6.57 2f73D1 SER 4 H 0.08 -0.13 -1.05 -0.55 8.46 6.81 2f73D1 SER 4 HA 0.08 0.14 0.28 -0.75 4.49 4.24 2f73D1 SER 4 HB2 0.00 -0.03 0.07 -0.04 3.95 3.95 2f73D1 SER 4 HB3 0.00 0.05 -0.01 -0.04 3.93 3.93 2f73D1 GLY 5 H 0.09 0.42 0.41 -0.55 8.43 8.80 2f73D1 GLY 5 HA2 -0.05 -0.04 0.39 -0.51 4.01 3.80 2f73D1 GLY 5 HA3 -0.15 0.20 0.75 -0.51 4.01 4.29 2f73D1 LYS 6 H -0.17 0.18 0.24 -0.55 8.42 8.12 2f73D1 LYS 6 HA 0.08 0.37 1.12 -0.75 4.32 5.13 2f73D1 LYS 6 HB2 -0.06 -0.03 0.17 -0.04 1.87 1.91 2f73D1 LYS 6 HB3 0.00 -0.01 -0.03 -0.04 1.79 1.71 2f73D1 LYS 6 HG2 0.02 -0.01 -0.07 -0.04 1.46 1.36 2f73D1 LYS 6 HG3 0.03 0.01 -0.06 -0.04 1.46 1.40 2f73D1 LYS 6 HD2 -0.01 -0.02 -0.05 -0.04 1.69 1.57 2f73D1 LYS 6 HD3 -0.03 0.02 0.06 -0.04 1.68 1.69 2f73D1 LYS 6 HE2 -0.00 -0.00 -0.02 -0.04 2.99 2.93 2f73D1 LYS 6 HE3 0.01 -0.00 -0.04 -0.04 2.99 2.91 2f73D1 TYR 7 H 0.27 0.53 0.33 -0.55 8.29 8.87 2f73D1 TYR 7 HA 0.02 0.38 0.90 -0.75 4.56 5.11 2f73D1 TYR 7 HB2 0.06 -0.05 0.02 -0.04 3.06 3.04 2f73D1 TYR 7 HB3 0.04 -0.07 -0.30 -0.04 2.98 2.61 2f73D1 TYR 7 HD2 0.04 0.03 -0.27 -0.04 7.15 6.92 2f73D1 TYR 7 HE2 0.04 0.12 -0.25 -0.04 6.85 6.71 2f73D1 GLN 8 H 0.06 0.80 0.34 -0.55 8.47 9.12 2f73D1 GLN 8 HA 0.06 0.11 0.68 -0.75 4.36 4.45 2f73D1 GLN 8 HB2 0.02 -0.07 0.08 -0.04 2.15 2.13 2f73D1 GLN 8 HB3 0.03 0.02 0.19 -0.04 2.02 2.22 2f73D1 GLN 8 HG2 0.01 -0.08 -0.02 -0.04 2.40 2.27 2f73D1 GLN 8 HG3 0.02 0.03 -0.31 -0.04 2.39 2.09 2f73D1 GLN 8 HE21 0.02 0.52 0.00 -0.04 6.97 7.47 2f73D1 GLN 8 HE22 0.02 0.69 -0.01 -0.04 7.69 8.35 2f73D1 LEU 9 H 0.05 1.18 0.42 -0.55 8.37 9.48 2f73D1 LEU 9 HA 0.05 -0.02 0.57 -0.75 4.35 4.20 2f73D1 LEU 9 HB2 0.05 -0.02 0.08 -0.04 1.64 1.71 2f73D1 LEU 9 HB3 0.03 -0.11 0.04 -0.04 1.64 1.56 2f73D1 LEU 9 HG -0.01 0.01 -0.32 -0.04 1.64 1.29 2f73D1 LEU 9 HD13 0.02 0.01 0.04 -0.04 0.93 0.97 2f73D1 LEU 9 HD23 -0.00 -0.00 0.07 -0.04 0.89 0.92 2f73D1 GLN 10 H 0.02 0.35 0.47 -0.55 8.47 8.76 2f73D1 GLN 10 HA -0.00 0.17 0.89 -0.75 4.36 4.67 2f73D1 GLN 10 HB2 0.00 -0.05 0.02 -0.04 2.15 2.08 2f73D1 GLN 10 HB3 0.01 0.04 -0.07 -0.04 2.02 1.97 2f73D1 GLN 10 HG2 0.03 0.09 0.19 -0.04 2.40 2.67 2f73D1 GLN 10 HG3 0.01 -0.06 0.06 -0.04 2.39 2.36 2f73D1 GLN 10 HE21 0.01 -0.02 -0.05 -0.04 6.97 6.87 2f73D1 GLN 10 HE22 0.01 -0.01 -0.06 -0.04 7.69 7.58 2f73D1 SER 11 H -0.00 0.43 0.42 -0.55 8.46 8.76 2f73D1 SER 11 HA -0.03 0.23 1.02 -0.75 4.49 4.96 2f73D1 SER 11 HB2 -0.01 0.04 -0.01 -0.04 3.95 3.93 2f73D1 SER 11 HB3 -0.01 -0.05 0.15 -0.04 3.93 3.97 2f73D1 GLN 12 H -0.06 0.26 0.15 -0.55 8.47 8.27 2f73D1 GLN 12 HA -0.13 0.12 0.59 -0.75 4.36 4.19 2f73D1 GLN 12 HB2 -0.09 0.05 -0.33 -0.04 2.15 1.74 2f73D1 GLN 12 HB3 -0.13 -0.01 0.05 -0.04 2.02 1.90 2f73D1 GLN 12 HG2 -0.35 -0.05 0.09 -0.04 2.40 2.05 2f73D1 GLN 12 HG3 -0.19 0.07 0.30 -0.04 2.39 2.53 2f73D1 GLN 12 HE21 0.54 0.02 0.00 -0.04 6.97 7.50 2f73D1 GLN 12 HE22 0.21 0.02 0.02 -0.04 7.69 7.89 2f73D1 GLU 13 H -0.22 0.40 0.25 -0.55 8.60 8.49 2f73D1 GLU 13 HA -0.07 0.19 1.07 -0.75 4.29 4.73 2f73D1 GLU 13 HB2 -0.08 0.03 0.12 -0.04 2.09 2.12 2f73D1 GLU 13 HB3 -0.05 0.01 0.10 -0.04 1.99 2.01 2f73D1 GLU 13 HG2 -0.04 0.08 -0.08 -0.04 2.34 2.26 2f73D1 GLU 13 HG3 -0.06 -0.10 -0.26 -0.04 2.34 1.87 2f73D1 ASN 14 H -0.02 0.22 0.19 -0.55 8.53 8.37 2f73D1 ASN 14 HA 0.03 0.02 0.35 -0.75 4.76 4.41 2f73D1 ASN 14 HB2 -0.01 0.19 -0.19 -0.04 2.88 2.83 2f73D1 ASN 14 HB3 0.07 -0.06 0.14 -0.04 2.79 2.90 2f73D1 ASN 14 HD21 0.01 0.08 -0.01 -0.04 7.03 7.07 2f73D1 ASN 14 HD22 0.03 -0.18 -0.13 -0.04 7.74 7.42 2f73D1 PHE 15 H -0.03 0.10 -0.75 -0.55 8.34 7.11 2f73D1 PHE 15 HA -0.19 0.10 0.33 -0.75 4.62 4.11 2f73D1 PHE 15 HB2 -0.30 0.09 0.01 -0.04 3.15 2.91 2f73D1 PHE 15 HB3 -0.09 -0.07 0.04 -0.04 3.06 2.90 2f73D1 PHE 15 HD2 0.10 -0.08 -0.09 -0.04 7.28 7.17 2f73D1 PHE 15 HE2 0.13 0.11 -0.12 -0.04 7.38 7.46 2f73D1 PHE 15 HZ 0.10 -0.01 -0.21 -0.04 7.32 7.16 2f73D1 GLU 16 H 0.30 0.08 -0.16 -0.55 8.60 8.27 2f73D1 GLU 16 HA 0.02 0.14 0.33 -0.75 4.29 4.03 2f73D1 GLU 16 HB2 0.20 -0.03 0.07 -0.04 2.09 2.30 2f73D1 GLU 16 HB3 0.10 -0.00 -0.06 -0.04 1.99 1.98 2f73D1 GLU 16 HG2 0.10 -0.00 -0.04 -0.04 2.34 2.36 2f73D1 GLU 16 HG3 0.23 0.11 0.02 -0.04 2.34 2.66 2f73D1 ALA 17 H 0.07 0.06 -0.31 -0.55 8.40 7.68 2f73D1 ALA 17 HA 0.03 0.07 0.46 -0.75 4.34 4.15 2f73D1 ALA 17 HB3 0.07 0.02 0.09 -0.04 1.41 1.55 2f73D1 PHE 18 H 0.24 0.55 -0.01 -0.55 8.34 8.57 2f73D1 PHE 18 HA 0.01 0.00 0.39 -0.75 4.62 4.27 2f73D1 PHE 18 HB2 0.31 -0.00 0.13 -0.04 3.15 3.54 2f73D1 PHE 18 HB3 0.23 0.11 0.18 -0.04 3.06 3.53 2f73D1 PHE 18 HD2 -0.12 -0.02 -0.06 -0.04 7.28 7.04 2f73D1 PHE 18 HE2 -0.23 -0.00 -0.15 -0.04 7.38 6.96 2f73D1 PHE 18 HZ -0.22 -0.01 -0.12 -0.04 7.32 6.93 2f73D1 MET 19 H -0.02 0.48 -0.05 -0.55 8.47 8.33 2f73D1 MET 19 HA -0.16 0.03 0.26 -0.75 4.52 3.90 2f73D1 MET 19 HB2 -0.16 0.04 -0.03 -0.04 2.15 1.97 2f73D1 MET 19 HB3 -0.10 -0.01 -0.05 -0.04 2.03 1.83 2f73D1 MET 19 HG2 -0.46 0.25 0.10 -0.04 2.63 2.48 2f73D1 MET 19 HG3 -0.79 0.00 -0.07 -0.04 2.56 1.65 2f73D1 MET 19 HE3 0.01 -0.01 -0.09 -0.04 2.10 1.96 2f73D1 LYS 20 H -0.06 0.31 -0.38 -0.55 8.42 7.73 2f73D1 LYS 20 HA -0.04 0.02 0.41 -0.75 4.32 3.96 2f73D1 LYS 20 HB2 -0.01 0.10 0.16 -0.04 1.87 2.08 2f73D1 LYS 20 HB3 -0.02 0.17 0.21 -0.04 1.79 2.10 2f73D1 LYS 20 HG2 -0.02 -0.01 -0.14 -0.04 1.46 1.25 2f73D1 LYS 20 HG3 -0.01 -0.04 0.04 -0.04 1.46 1.41 2f73D1 LYS 20 HD2 0.00 -0.01 0.01 -0.04 1.69 1.65 2f73D1 LYS 20 HD3 0.00 -0.04 -0.01 -0.04 1.68 1.59 2f73D1 LYS 20 HE2 0.01 -0.03 -0.00 -0.04 2.99 2.93 2f73D1 LYS 20 HE3 0.01 0.18 -0.01 -0.04 2.99 3.13 2f73D1 ALA 21 H -0.08 0.59 -0.04 -0.55 8.40 8.32 2f73D1 ALA 21 HA -0.07 -0.04 0.42 -0.75 4.34 3.90 2f73D1 ALA 21 HB3 -0.12 0.01 0.13 -0.04 1.41 1.39 2f73D1 ILE 22 H -0.27 0.48 -0.26 -0.55 8.25 7.66 2f73D1 ILE 22 HA -0.16 0.09 0.63 -0.75 4.18 3.99 2f73D1 ILE 22 HB -0.18 -0.08 0.13 -0.04 1.89 1.71 2f73D1 ILE 22 HG12 -0.37 0.16 0.01 -0.04 1.49 1.25 2f73D1 ILE 22 HG13 -0.17 0.08 -0.20 -0.04 1.21 0.88 2f73D1 ILE 22 HG23 -0.54 0.01 -0.05 -0.04 0.93 0.31 2f73D1 ILE 22 HD13 -0.28 -0.06 -0.11 -0.04 0.88 0.40 2f73D1 GLY 23 H -0.09 0.36 -0.75 -0.55 8.43 7.41 2f73D1 GLY 23 HA2 -0.04 0.01 0.31 -0.51 4.01 3.77 2f73D1 GLY 23 HA3 -0.05 -0.06 0.33 -0.51 4.01 3.72 2f73D1 LEU 24 H -0.05 0.26 0.04 -0.55 8.37 8.07 2f73D1 LEU 24 HA -0.02 0.21 0.91 -0.75 4.35 4.70 2f73D1 LEU 24 HB2 -0.06 0.17 -0.19 -0.04 1.64 1.51 2f73D1 LEU 24 HB3 -0.04 -0.16 -0.25 -0.04 1.64 1.15 2f73D1 LEU 24 HG -0.01 -0.06 -0.10 -0.04 1.64 1.43 2f73D1 LEU 24 HD13 0.03 -0.02 -0.16 -0.04 0.93 0.74 2f73D1 LEU 24 HD23 -0.00 0.02 -0.00 -0.04 0.89 0.87 2f73D1 PRO 25 HA 0.01 0.02 0.43 -0.51 4.44 4.38 2f73D1 PRO 25 HB2 0.02 -0.14 0.17 -0.04 2.28 2.29 2f73D1 PRO 25 HB3 0.01 0.01 0.12 -0.04 2.02 2.12 2f73D1 PRO 25 HG2 0.01 0.07 0.11 -0.04 2.03 2.18 2f73D1 PRO 25 HG3 0.00 0.08 0.10 -0.04 2.03 2.17 2f73D1 PRO 25 HD2 0.01 0.11 0.21 -0.04 3.68 3.97 2f73D1 PRO 25 HD3 -0.01 0.34 0.22 -0.04 3.65 4.16 2f73D1 GLU 26 H 0.01 0.17 0.20 -0.55 8.60 8.43 2f73D1 GLU 26 HA 0.03 0.13 0.33 -0.75 4.29 4.03 2f73D1 GLU 26 HB2 0.01 0.05 0.15 -0.04 2.09 2.27 2f73D1 GLU 26 HB3 0.02 -0.03 0.07 -0.04 1.99 2.00 2f73D1 GLU 26 HG2 0.02 0.01 -0.00 -0.04 2.34 2.32 2f73D1 GLU 26 HG3 0.03 0.00 -0.11 -0.04 2.34 2.23 2f73D1 GLU 27 H 0.02 0.01 -0.41 -0.55 8.60 7.68 2f73D1 GLU 27 HA 0.03 0.12 0.40 -0.75 4.29 4.09 2f73D1 GLU 27 HB2 0.02 0.00 0.05 -0.04 2.09 2.13 2f73D1 GLU 27 HB3 0.02 -0.05 0.06 -0.04 1.99 1.98 2f73D1 GLU 27 HG2 0.02 0.02 -0.04 -0.04 2.34 2.29 2f73D1 GLU 27 HG3 0.03 0.02 -0.22 -0.04 2.34 2.13 2f73D1 LEU 28 H 0.04 0.11 -0.07 -0.55 8.37 7.90 2f73D1 LEU 28 HA 0.06 0.03 0.42 -0.75 4.35 4.11 2f73D1 LEU 28 HB2 0.05 0.09 0.10 -0.04 1.64 1.84 2f73D1 LEU 28 HB3 0.07 0.08 0.02 -0.04 1.64 1.76 2f73D1 LEU 28 HG 0.03 -0.10 0.08 -0.04 1.64 1.61 2f73D1 LEU 28 HD13 0.03 0.02 0.04 -0.04 0.93 0.98 2f73D1 LEU 28 HD23 0.04 0.00 0.02 -0.04 0.89 0.91 2f73D1 ILE 29 H 0.06 0.63 -0.26 -0.55 8.25 8.14 2f73D1 ILE 29 HA 0.19 0.01 0.21 -0.75 4.18 3.84 2f73D1 ILE 29 HB 0.07 0.11 -0.04 -0.04 1.89 1.98 2f73D1 ILE 29 HG12 -0.01 -0.08 -0.19 -0.04 1.49 1.17 2f73D1 ILE 29 HG13 0.03 0.27 -0.45 -0.04 1.21 1.01 2f73D1 ILE 29 HG23 0.07 -0.01 -0.03 -0.04 0.93 0.92 2f73D1 ILE 29 HD13 -0.01 -0.00 -0.18 -0.04 0.88 0.64 2f73D1 GLN 30 H 0.09 0.35 -0.92 -0.55 8.47 7.44 2f73D1 GLN 30 HA 0.11 0.10 0.78 -0.75 4.36 4.60 2f73D1 GLN 30 HB2 0.06 0.17 0.12 -0.04 2.15 2.46 2f73D1 GLN 30 HB3 0.05 0.04 0.09 -0.04 2.02 2.16 2f73D1 GLN 30 HG2 0.03 -0.04 0.06 -0.04 2.40 2.42 2f73D1 GLN 30 HG3 0.05 -0.04 0.20 -0.04 2.39 2.56 2f73D1 GLN 30 HE21 0.03 -0.04 -0.01 -0.04 6.97 6.91 2f73D1 GLN 30 HE22 0.03 -0.01 -0.00 -0.04 7.69 7.67 2f73D1 LYS 31 H 0.09 0.66 -0.07 -0.55 8.42 8.54 2f73D1 LYS 31 HA 0.03 0.14 0.80 -0.75 4.32 4.54 2f73D1 LYS 31 HB2 0.06 0.07 0.19 -0.04 1.87 2.14 2f73D1 LYS 31 HB3 0.03 -0.06 -0.01 -0.04 1.79 1.71 2f73D1 LYS 31 HG2 0.03 -0.04 -0.01 -0.04 1.46 1.40 2f73D1 LYS 31 HG3 0.04 0.07 -0.09 -0.04 1.46 1.44 2f73D1 LYS 31 HD2 0.04 -0.04 -0.14 -0.04 1.69 1.51 2f73D1 LYS 31 HD3 0.05 0.03 0.07 -0.04 1.68 1.79 2f73D1 LYS 31 HE2 0.03 -0.01 -0.01 -0.04 2.99 2.96 2f73D1 LYS 31 HE3 0.03 -0.02 -0.04 -0.04 2.99 2.91 2f73D1 GLY 32 H 0.11 0.44 0.06 -0.55 8.43 8.49 2f73D1 GLY 32 HA2 -0.01 -0.10 0.24 -0.51 4.01 3.62 2f73D1 GLY 32 HA3 0.10 0.20 0.32 -0.51 4.01 4.12 2f73D1 LYS 33 H -0.01 0.05 -1.26 -0.55 8.42 6.65 2f73D1 LYS 33 HA -0.43 0.01 0.26 -0.75 4.32 3.40 2f73D1 LYS 33 HB2 -0.03 0.07 -0.05 -0.04 1.87 1.81 2f73D1 LYS 33 HB3 -0.05 -0.04 -0.05 -0.04 1.79 1.60 2f73D1 LYS 33 HG2 0.16 -0.04 0.06 -0.04 1.46 1.60 2f73D1 LYS 33 HG3 0.10 -0.02 0.11 -0.04 1.46 1.60 2f73D1 LYS 33 HD2 0.07 -0.05 0.02 -0.04 1.69 1.69 2f73D1 LYS 33 HD3 0.03 0.11 0.07 -0.04 1.68 1.85 2f73D1 LYS 33 HE2 -0.00 0.01 -0.02 -0.04 2.99 2.93 2f73D1 LYS 33 HE3 0.03 -0.05 -0.03 -0.04 2.99 2.89 2f73D1 ASP 34 H -0.10 0.21 -0.15 -0.55 8.40 7.82 2f73D1 ASP 34 HA -0.15 0.23 0.80 -0.75 4.63 4.76 2f73D1 ASP 34 HB2 -0.05 0.00 0.09 -0.04 2.71 2.71 2f73D1 ASP 34 HB3 -0.06 -0.00 0.15 -0.04 2.70 2.75 2f73D1 ILE 35 H -0.16 0.35 -0.70 -0.55 8.25 7.19 2f73D1 ILE 35 HA -0.04 0.12 0.78 -0.75 4.18 4.28 2f73D1 ILE 35 HB -0.05 -0.04 0.10 -0.04 1.89 1.87 2f73D1 ILE 35 HG12 -0.02 0.03 -0.08 -0.04 1.49 1.37 2f73D1 ILE 35 HG13 -0.04 0.33 -0.09 -0.04 1.21 1.37 2f73D1 ILE 35 HG23 -0.00 -0.05 -0.14 -0.04 0.93 0.71 2f73D1 ILE 35 HD13 0.01 -0.05 -0.22 -0.04 0.88 0.58 2f73D1 LYS 36 H -0.03 0.20 0.02 -0.55 8.42 8.06 2f73D1 LYS 36 HA -0.02 0.16 0.90 -0.75 4.32 4.61 2f73D1 LYS 36 HB2 -0.01 -0.08 0.22 -0.04 1.87 1.96 2f73D1 LYS 36 HB3 -0.01 0.47 0.12 -0.04 1.79 2.33 2f73D1 LYS 36 HG2 -0.04 -0.04 -0.25 -0.04 1.46 1.09 2f73D1 LYS 36 HG3 -0.05 -0.04 -0.29 -0.04 1.46 1.04 2f73D1 LYS 36 HD2 -0.02 -0.07 0.06 -0.04 1.69 1.62 2f73D1 LYS 36 HD3 -0.02 0.05 0.12 -0.04 1.68 1.79 2f73D1 LYS 36 HE2 -0.03 0.22 0.06 -0.04 2.99 3.19 2f73D1 LYS 36 HE3 -0.04 -0.05 -0.02 -0.04 2.99 2.84 2f73D1 GLY 37 H 0.02 0.14 -0.07 -0.55 8.43 7.97 2f73D1 GLY 37 HA2 0.02 0.20 0.67 -0.51 4.01 4.40 2f73D1 GLY 37 HA3 0.03 -0.04 0.35 -0.51 4.01 3.85 2f73D1 VAL 38 H 0.05 0.15 0.21 -0.55 8.24 8.10 2f73D1 VAL 38 HA 0.08 0.49 1.11 -0.75 4.13 5.06 2f73D1 VAL 38 HB 0.04 -0.05 0.05 -0.04 2.12 2.12 2f73D1 VAL 38 HG13 0.06 -0.02 -0.23 -0.04 0.97 0.74 2f73D1 VAL 38 HG23 0.03 -0.00 -0.21 -0.04 0.95 0.73 2f73D1 SER 39 H 0.15 0.40 0.36 -0.55 8.46 8.82 2f73D1 SER 39 HA 0.11 0.21 1.01 -0.75 4.49 5.06 2f73D1 SER 39 HB2 0.16 -0.02 0.10 -0.04 3.95 4.14 2f73D1 SER 39 HB3 0.16 0.11 0.10 -0.04 3.93 4.26 2f73D1 GLU 40 H 0.13 0.41 0.37 -0.55 8.60 8.96 2f73D1 GLU 40 HA 0.16 0.32 1.22 -0.75 4.29 5.24 2f73D1 GLU 40 HB2 0.07 -0.02 -0.07 -0.04 2.09 2.03 2f73D1 GLU 40 HB3 0.07 -0.05 0.09 -0.04 1.99 2.06 2f73D1 GLU 40 HG2 0.06 0.02 -0.26 -0.04 2.34 2.12 2f73D1 GLU 40 HG3 0.06 0.03 -0.02 -0.04 2.34 2.37 2f73D1 ILE 41 H 0.17 0.50 0.32 -0.55 8.25 8.69 2f73D1 ILE 41 HA 0.15 0.19 0.95 -0.75 4.18 4.72 2f73D1 ILE 41 HB 0.29 0.29 0.10 -0.04 1.89 2.53 2f73D1 ILE 41 HG12 0.12 -0.04 -0.13 -0.04 1.49 1.40 2f73D1 ILE 41 HG13 0.17 -0.04 -0.37 -0.04 1.21 0.94 2f73D1 ILE 41 HG23 0.13 -0.08 -0.48 -0.04 0.93 0.45 2f73D1 ILE 41 HD13 0.09 0.00 -0.14 -0.04 0.88 0.79 2f73D1 VAL 42 H -0.01 0.46 0.17 -0.55 8.24 8.31 2f73D1 VAL 42 HA -0.03 0.11 0.89 -0.75 4.13 4.34 2f73D1 VAL 42 HB -0.03 -0.01 0.15 -0.04 2.12 2.19 2f73D1 VAL 42 HG13 -0.02 0.00 -0.12 -0.04 0.97 0.79 2f73D1 VAL 42 HG23 0.01 0.01 -0.20 -0.04 0.95 0.74 2f73D1 GLN 43 H -0.15 0.16 0.06 -0.55 8.47 8.00 2f73D1 GLN 43 HA -0.64 0.37 1.11 -0.75 4.36 4.45 2f73D1 GLN 43 HB2 -1.00 -0.03 -0.14 -0.04 2.15 0.94 2f73D1 GLN 43 HB3 -0.24 -0.11 0.03 -0.04 2.02 1.66 2f73D1 GLN 43 HG2 -0.22 -0.08 -0.39 -0.04 2.40 1.66 2f73D1 GLN 43 HG3 -0.85 0.19 -0.15 -0.04 2.39 1.54 2f73D1 GLN 43 HE21 0.35 -0.12 -0.16 -0.04 6.97 7.00 2f73D1 GLN 43 HE22 0.22 0.41 -0.03 -0.04 7.69 8.25 2f73D1 ASN 44 H -0.20 0.67 0.03 -0.55 8.53 8.48 2f73D1 ASN 44 HA -0.04 0.13 0.74 -0.75 4.76 4.83 2f73D1 ASN 44 HB2 0.08 -0.01 0.09 -0.04 2.88 3.00 2f73D1 ASN 44 HB3 0.02 -0.02 0.05 -0.04 2.79 2.81 2f73D1 ASN 44 HD21 -0.00 0.00 -0.04 -0.04 7.03 6.95 2f73D1 ASN 44 HD22 -0.00 -0.02 0.01 -0.04 7.74 7.68 2f73D1 GLY 45 H -0.00 0.19 0.02 -0.55 8.43 8.09 2f73D1 GLY 45 HA2 0.06 0.07 0.36 -0.51 4.01 3.99 2f73D1 GLY 45 HA3 0.06 0.02 0.52 -0.51 4.01 4.09 2f73D1 LYS 46 H 0.14 0.14 0.29 -0.55 8.42 8.43 2f73D1 LYS 46 HA 0.35 0.17 0.76 -0.75 4.32 4.84 2f73D1 LYS 46 HB2 0.18 -0.01 0.08 -0.04 1.87 2.08 2f73D1 LYS 46 HB3 0.17 -0.01 0.19 -0.04 1.79 2.10 2f73D1 LYS 46 HG2 0.14 0.02 0.03 -0.04 1.46 1.61 2f73D1 LYS 46 HG3 0.13 -0.11 0.17 -0.04 1.46 1.61 2f73D1 LYS 46 HD2 0.10 -0.01 0.05 -0.04 1.69 1.78 2f73D1 LYS 46 HD3 0.12 -0.00 0.02 -0.04 1.68 1.78 2f73D1 LYS 46 HE2 0.11 0.18 0.05 -0.04 2.99 3.28 2f73D1 LYS 46 HE3 0.13 -0.02 0.03 -0.04 2.99 3.09 2f73D1 HIS 47 H 0.20 0.52 0.09 -0.55 8.41 8.68 2f73D1 HIS 47 HA 0.15 0.19 0.94 -0.75 4.63 5.15 2f73D1 HIS 47 HB2 0.05 -0.05 0.13 -0.04 3.26 3.35 2f73D1 HIS 47 HB3 0.01 0.03 0.17 -0.04 3.20 3.36 2f73D1 HIS 47 HD2 0.06 -0.03 -0.07 -0.04 6.97 6.88 2f73D1 HIS 47 HE1 -0.01 -0.02 -0.11 -0.04 7.75 7.57 2f73D1 PHE 48 H -0.58 0.77 0.48 -0.55 8.34 8.47 2f73D1 PHE 48 HA -0.39 0.28 0.93 -0.75 4.62 4.68 2f73D1 PHE 48 HB2 -1.88 0.00 -0.07 -0.04 3.15 1.16 2f73D1 PHE 48 HB3 -0.80 -0.04 -0.18 -0.04 3.06 2.00 2f73D1 PHE 48 HD2 -0.26 -0.04 -0.73 -0.04 7.28 6.21 2f73D1 PHE 48 HE2 -0.22 -0.00 -0.16 -0.04 7.38 6.96 2f73D1 PHE 48 HZ -0.03 -0.05 -0.16 -0.04 7.32 7.04 2f73D1 LYS 49 H -0.14 0.40 0.21 -0.55 8.42 8.33 2f73D1 LYS 49 HA -0.06 0.35 1.07 -0.75 4.32 4.92 2f73D1 LYS 49 HB2 -0.01 -0.01 -0.03 -0.04 1.87 1.77 2f73D1 LYS 49 HB3 -0.02 -0.04 0.16 -0.04 1.79 1.84 2f73D1 LYS 49 HG2 -0.00 -0.03 -0.25 -0.04 1.46 1.14 2f73D1 LYS 49 HG3 -0.02 0.08 0.00 -0.04 1.46 1.49 2f73D1 LYS 49 HD2 0.04 -0.00 -0.05 -0.04 1.69 1.64 2f73D1 LYS 49 HD3 0.02 -0.03 -0.06 -0.04 1.68 1.57 2f73D1 LYS 49 HE2 0.00 0.00 -0.13 -0.04 2.99 2.82 2f73D1 LYS 49 HE3 0.01 0.00 -0.08 -0.04 2.99 2.88 2f73D1 PHE 50 H -0.04 0.60 0.26 -0.55 8.34 8.60 2f73D1 PHE 50 HA 0.01 0.35 1.25 -0.75 4.62 5.47 2f73D1 PHE 50 HB2 0.05 0.07 -0.02 -0.04 3.15 3.20 2f73D1 PHE 50 HB3 0.03 -0.05 -0.13 -0.04 3.06 2.86 2f73D1 PHE 50 HD2 -0.03 -0.02 -0.30 -0.04 7.28 6.89 2f73D1 PHE 50 HE2 0.19 0.03 -0.24 -0.04 7.38 7.32 2f73D1 PHE 50 HZ 0.12 0.01 -0.17 -0.04 7.32 7.24 2f73D1 THR 51 H 0.17 0.66 0.32 -0.55 8.28 8.87 2f73D1 THR 51 HA -0.03 0.28 0.90 -0.75 4.39 4.79 2f73D1 THR 51 HB 0.06 -0.15 0.23 -0.04 4.32 4.43 2f73D1 THR 51 HG23 0.01 -0.00 -0.13 -0.04 1.22 1.06 2f73D1 ILE 52 H 0.05 0.71 0.26 -0.55 8.25 8.71 2f73D1 ILE 52 HA 0.13 0.16 1.19 -0.75 4.18 4.91 2f73D1 ILE 52 HB 0.18 0.04 0.03 -0.04 1.89 2.09 2f73D1 ILE 52 HG12 0.19 0.02 -0.11 -0.04 1.49 1.55 2f73D1 ILE 52 HG13 0.43 -0.07 -0.34 -0.04 1.21 1.20 2f73D1 ILE 52 HG23 0.14 -0.01 -0.37 -0.04 0.93 0.65 2f73D1 ILE 52 HD13 0.21 0.01 -0.15 -0.04 0.88 0.90 2f73D1 THR 53 H 0.10 0.21 0.08 -0.55 8.28 8.12 2f73D1 THR 53 HA 0.07 0.11 0.55 -0.75 4.39 4.36 2f73D1 THR 53 HB 0.06 -0.08 -0.04 -0.04 4.32 4.21 2f73D1 THR 53 HG23 0.05 0.00 0.03 -0.04 1.22 1.27 2f73D1 ALA 54 H 0.09 1.05 0.18 -0.55 8.40 9.18 2f73D1 ALA 54 HA 0.20 0.16 0.87 -0.75 4.34 4.81 2f73D1 ALA 54 HB3 0.15 0.01 0.02 -0.04 1.41 1.55 2f73D1 GLY 55 H 0.11 0.21 -0.23 -0.55 8.43 7.99 2f73D1 GLY 55 HA2 0.04 0.00 0.34 -0.51 4.01 3.88 2f73D1 GLY 55 HA3 0.11 0.10 0.40 -0.51 4.01 4.10 2f73D1 SER 56 H 0.05 0.09 -0.08 -0.55 8.46 7.97 2f73D1 SER 56 HA 0.04 -0.01 0.31 -0.75 4.49 4.07 2f73D1 SER 56 HB2 0.06 -0.13 -0.03 -0.04 3.95 3.81 2f73D1 SER 56 HB3 0.08 0.33 0.57 -0.04 3.93 4.86 2f73D1 LYS 57 H 0.08 0.38 -0.63 -0.55 8.42 7.69 2f73D1 LYS 57 HA 0.04 0.18 1.00 -0.75 4.32 4.78 2f73D1 LYS 57 HB2 0.06 0.02 -0.11 -0.04 1.87 1.80 2f73D1 LYS 57 HB3 0.06 0.02 -0.08 -0.04 1.79 1.75 2f73D1 LYS 57 HG2 0.03 -0.02 0.08 -0.04 1.46 1.50 2f73D1 LYS 57 HG3 0.03 -0.02 -0.03 -0.04 1.46 1.40 2f73D1 LYS 57 HD2 0.03 0.01 -0.07 -0.04 1.69 1.61 2f73D1 LYS 57 HD3 0.03 0.00 -0.15 -0.04 1.68 1.52 2f73D1 LYS 57 HE2 0.01 -0.02 -0.08 -0.04 2.99 2.86 2f73D1 LYS 57 HE3 0.01 0.11 -0.00 -0.04 2.99 3.07 2f73D1 VAL 58 H 0.03 0.20 0.15 -0.55 8.24 8.07 2f73D1 VAL 58 HA 0.04 0.24 0.90 -0.75 4.13 4.56 2f73D1 VAL 58 HB 0.02 0.00 0.04 -0.04 2.12 2.14 2f73D1 VAL 58 HG13 0.02 -0.01 -0.27 -0.04 0.97 0.66 2f73D1 VAL 58 HG23 0.03 -0.01 -0.15 -0.04 0.95 0.78 2f73D1 ILE 59 H 0.02 0.51 0.21 -0.55 8.25 8.44 2f73D1 ILE 59 HA -0.03 0.15 0.94 -0.75 4.18 4.48 2f73D1 ILE 59 HB -0.05 -0.03 -0.07 -0.04 1.89 1.70 2f73D1 ILE 59 HG12 0.03 -0.15 -0.42 -0.04 1.49 0.91 2f73D1 ILE 59 HG13 0.05 -0.02 0.01 -0.04 1.21 1.20 2f73D1 ILE 59 HG23 -0.03 0.05 -0.05 -0.04 0.93 0.86 2f73D1 ILE 59 HD13 0.04 0.01 -0.19 -0.04 0.88 0.71 2f73D1 GLN 60 H -0.08 0.17 0.15 -0.55 8.47 8.17 2f73D1 GLN 60 HA -0.16 0.24 1.05 -0.75 4.36 4.74 2f73D1 GLN 60 HB2 -0.06 -0.04 0.14 -0.04 2.15 2.15 2f73D1 GLN 60 HB3 -0.09 0.03 -0.03 -0.04 2.02 1.89 2f73D1 GLN 60 HG2 -0.05 0.00 -0.04 -0.04 2.40 2.27 2f73D1 GLN 60 HG3 -0.03 -0.03 -0.06 -0.04 2.39 2.23 2f73D1 GLN 60 HE21 -0.01 -0.00 -0.08 -0.04 6.97 6.84 2f73D1 GLN 60 HE22 -0.01 -0.03 -0.08 -0.04 7.69 7.54 2f73D1 ASN 61 H -0.56 1.07 0.52 -0.55 8.53 9.02 2f73D1 ASN 61 HA -0.27 0.21 0.92 -0.75 4.76 4.87 2f73D1 ASN 61 HB2 -1.85 0.02 -0.04 -0.04 2.88 0.96 2f73D1 ASN 61 HB3 -0.61 -0.01 0.06 -0.04 2.79 2.19 2f73D1 ASN 61 HD21 -0.13 0.12 0.03 -0.04 7.03 7.02 2f73D1 ASN 61 HD22 -0.30 -0.00 -0.18 -0.04 7.74 7.22 2f73D1 GLU 62 H -0.03 0.32 0.27 -0.55 8.60 8.61 2f73D1 GLU 62 HA -0.08 0.34 0.98 -0.75 4.29 4.78 2f73D1 GLU 62 HB2 0.02 -0.05 0.00 -0.04 2.09 2.02 2f73D1 GLU 62 HB3 0.12 -0.01 -0.06 -0.04 1.99 1.99 2f73D1 GLU 62 HG2 0.02 0.09 0.13 -0.04 2.34 2.53 2f73D1 GLU 62 HG3 0.01 0.01 -0.04 -0.04 2.34 2.28 2f73D1 PHE 63 H -0.27 0.62 0.43 -0.55 8.34 8.56 2f73D1 PHE 63 HA 0.07 0.05 0.43 -0.75 4.62 4.42 2f73D1 PHE 63 HB2 -0.00 0.02 0.14 -0.04 3.15 3.26 2f73D1 PHE 63 HB3 0.06 0.25 -0.04 -0.04 3.06 3.28 2f73D1 PHE 63 HD2 0.08 0.04 -0.58 -0.04 7.28 6.77 2f73D1 PHE 63 HE2 -0.72 0.00 -0.25 -0.04 7.38 6.38 2f73D1 PHE 63 HZ -0.83 -0.01 -0.21 -0.04 7.32 6.23 2f73D1 THR 64 H 0.30 0.32 0.20 -0.55 8.28 8.55 2f73D1 THR 64 HA 0.27 0.45 1.05 -0.75 4.39 5.41 2f73D1 THR 64 HB 0.16 -0.03 0.06 -0.04 4.32 4.47 2f73D1 THR 64 HG23 0.15 0.03 -0.13 -0.04 1.22 1.23 2f73D1 VAL 65 H 0.20 0.48 0.27 -0.55 8.24 8.64 2f73D1 VAL 65 HA -0.04 0.15 0.60 -0.75 4.13 4.09 2f73D1 VAL 65 HB 0.08 -0.04 0.20 -0.04 2.12 2.32 2f73D1 VAL 65 HG13 -0.05 -0.01 -0.05 -0.04 0.97 0.81 2f73D1 VAL 65 HG23 -0.14 0.02 -0.11 -0.04 0.95 0.68 2f73D1 GLY 66 H -0.08 0.49 0.33 -0.55 8.43 8.63 2f73D1 GLY 66 HA2 -0.04 -0.03 0.34 -0.51 4.01 3.77 2f73D1 GLY 66 HA3 0.00 0.09 0.54 -0.51 4.01 4.13 2f73D1 GLU 67 H 0.03 0.45 -0.18 -0.55 8.60 8.35 2f73D1 GLU 67 HA 0.02 0.15 0.94 -0.75 4.29 4.65 2f73D1 GLU 67 HB2 0.08 0.03 -0.02 -0.04 2.09 2.14 2f73D1 GLU 67 HB3 0.06 0.05 -0.07 -0.04 1.99 1.99 2f73D1 GLU 67 HG2 0.04 -0.02 0.05 -0.04 2.34 2.37 2f73D1 GLU 67 HG3 0.05 0.06 -0.14 -0.04 2.34 2.26 2f73D1 GLU 68 H 0.01 0.12 0.14 -0.55 8.60 8.32 2f73D1 GLU 68 HA -0.01 0.16 0.49 -0.75 4.29 4.16 2f73D1 GLU 68 HB2 0.00 -0.03 0.14 -0.04 2.09 2.16 2f73D1 GLU 68 HB3 0.00 0.00 -0.04 -0.04 1.99 1.91 2f73D1 GLU 68 HG2 -0.02 -0.01 -0.20 -0.04 2.34 2.08 2f73D1 GLU 68 HG3 -0.01 -0.01 -0.08 -0.04 2.34 2.20 2f73D1 CYS 69 H -0.01 0.68 0.50 -0.55 8.50 9.12 2f73D1 CYS 69 HA 0.04 0.13 0.93 -0.75 4.58 4.92 2f73D1 CYS 69 HB2 0.07 0.00 0.15 -0.04 2.97 3.16 2f73D1 CYS 69 HB3 0.10 0.10 0.20 -0.04 2.97 3.33 2f73D1 GLU 70 H 0.02 0.15 0.22 -0.55 8.60 8.44 2f73D1 GLU 70 HA -0.04 0.22 0.95 -0.75 4.29 4.67 2f73D1 GLU 70 HB2 -0.01 -0.04 0.04 -0.04 2.09 2.04 2f73D1 GLU 70 HB3 -0.01 -0.01 0.13 -0.04 1.99 2.05 2f73D1 GLU 70 HG2 -0.04 0.09 -0.11 -0.04 2.34 2.24 2f73D1 GLU 70 HG3 -0.03 -0.05 -0.15 -0.04 2.34 2.07 2f73D1 LEU 71 H -0.10 1.00 0.48 -0.55 8.37 9.21 2f73D1 LEU 71 HA -0.06 0.23 1.05 -0.75 4.35 4.81 2f73D1 LEU 71 HB2 -0.27 -0.05 -0.06 -0.04 1.64 1.21 2f73D1 LEU 71 HB3 -0.13 0.00 -0.05 -0.04 1.64 1.42 2f73D1 LEU 71 HG -0.12 0.04 -0.23 -0.04 1.64 1.29 2f73D1 LEU 71 HD13 -0.15 -0.01 -0.20 -0.04 0.93 0.52 2f73D1 LEU 71 HD23 0.12 0.03 -0.19 -0.04 0.89 0.81 2f73D1 GLU 72 H -0.10 0.22 0.10 -0.55 8.60 8.28 2f73D1 GLU 72 HA -0.07 0.25 0.98 -0.75 4.29 4.70 2f73D1 GLU 72 HB2 -0.06 -0.01 0.02 -0.04 2.09 2.00 2f73D1 GLU 72 HB3 -0.08 -0.03 0.13 -0.04 1.99 1.97 2f73D1 GLU 72 HG2 -0.03 0.06 -0.10 -0.04 2.34 2.23 2f73D1 GLU 72 HG3 -0.04 0.05 -0.07 -0.04 2.34 2.24 2f73D1 THR 73 H -0.08 0.83 0.11 -0.55 8.28 8.60 2f73D1 THR 73 HA -0.04 0.08 0.38 -0.75 4.39 4.06 2f73D1 THR 73 HB 0.04 -0.01 0.07 -0.04 4.32 4.38 2f73D1 THR 73 HG23 -0.12 0.06 -0.19 -0.04 1.22 0.93 2f73D1 MET 74 H 0.06 0.17 0.06 -0.55 8.47 8.21 2f73D1 MET 74 HA 0.03 0.20 0.45 -0.75 4.52 4.45 2f73D1 MET 74 HB2 0.05 0.05 0.07 -0.04 2.15 2.28 2f73D1 MET 74 HB3 0.07 0.03 0.03 -0.04 2.03 2.12 2f73D1 MET 74 HG2 0.04 -0.06 0.03 -0.04 2.63 2.60 2f73D1 MET 74 HG3 0.06 0.04 -0.06 -0.04 2.56 2.55 2f73D1 MET 74 HE3 0.03 0.01 -0.09 -0.04 2.10 2.01 2f73D1 THR 75 H 0.00 -0.06 -0.54 -0.55 8.28 7.14 2f73D1 THR 75 HA -0.00 0.28 0.80 -0.75 4.39 4.71 2f73D1 THR 75 HB -0.02 0.04 0.13 -0.04 4.32 4.43 2f73D1 THR 75 HG23 -0.03 0.04 -0.06 -0.04 1.22 1.12 2f73D1 GLY 76 H -0.01 0.32 -0.33 -0.55 8.43 7.86 2f73D1 GLY 76 HA2 -0.01 0.06 0.24 -0.51 4.01 3.79 2f73D1 GLY 76 HA3 -0.01 0.17 0.68 -0.51 4.01 4.34 2f73D1 GLU 77 H -0.02 -0.05 -0.53 -0.55 8.60 7.46 2f73D1 GLU 77 HA -0.02 0.06 0.37 -0.75 4.29 3.95 2f73D1 GLU 77 HB2 -0.01 0.05 0.01 -0.04 2.09 2.10 2f73D1 GLU 77 HB3 -0.02 -0.12 -0.02 -0.04 1.99 1.79 2f73D1 GLU 77 HG2 -0.02 0.11 -0.10 -0.04 2.34 2.29 2f73D1 GLU 77 HG3 -0.01 0.02 0.04 -0.04 2.34 2.34 2f73D1 LYS 78 H -0.03 0.12 0.25 -0.55 8.42 8.20 2f73D1 LYS 78 HA -0.06 0.41 1.13 -0.75 4.32 5.05 2f73D1 LYS 78 HB2 -0.03 -0.06 0.19 -0.04 1.87 1.94 2f73D1 LYS 78 HB3 -0.04 -0.07 0.01 -0.04 1.79 1.66 2f73D1 LYS 78 HG2 -0.04 0.02 -0.04 -0.04 1.46 1.36 2f73D1 LYS 78 HG3 -0.04 0.04 0.01 -0.04 1.46 1.43 2f73D1 LYS 78 HD2 -0.02 -0.05 0.02 -0.04 1.69 1.59 2f73D1 LYS 78 HD3 -0.03 -0.03 -0.04 -0.04 1.68 1.55 2f73D1 LYS 78 HE2 -0.03 -0.00 -0.02 -0.04 2.99 2.89 2f73D1 LYS 78 HE3 -0.03 0.11 0.01 -0.04 2.99 3.04 2f73D1 VAL 79 H -0.12 0.54 0.30 -0.55 8.24 8.42 2f73D1 VAL 79 HA -0.06 0.18 0.94 -0.75 4.13 4.43 2f73D1 VAL 79 HB -0.22 -0.03 -0.23 -0.04 2.12 1.60 2f73D1 VAL 79 HG13 -0.34 0.01 -0.27 -0.04 0.97 0.33 2f73D1 VAL 79 HG23 -0.01 0.02 -0.08 -0.04 0.95 0.84 2f73D1 LYS 80 H -0.04 0.17 0.20 -0.55 8.42 8.20 2f73D1 LYS 80 HA -0.05 0.46 1.21 -0.75 4.32 5.19 2f73D1 LYS 80 HB2 -0.02 -0.05 0.14 -0.04 1.87 1.90 2f73D1 LYS 80 HB3 -0.01 -0.00 -0.06 -0.04 1.79 1.67 2f73D1 LYS 80 HG2 -0.01 0.02 -0.20 -0.04 1.46 1.23 2f73D1 LYS 80 HG3 -0.02 -0.03 -0.17 -0.04 1.46 1.20 2f73D1 LYS 80 HD2 -0.01 0.01 -0.07 -0.04 1.69 1.58 2f73D1 LYS 80 HD3 -0.01 -0.01 -0.06 -0.04 1.68 1.55 2f73D1 LYS 80 HE2 -0.01 -0.02 0.00 -0.04 2.99 2.92 2f73D1 LYS 80 HE3 -0.01 0.01 -0.04 -0.04 2.99 2.91 2f73D1 THR 81 H -0.05 0.65 0.42 -0.55 8.28 8.76 2f73D1 THR 81 HA -0.01 0.07 0.56 -0.75 4.39 4.26 2f73D1 THR 81 HB 0.02 0.05 -0.33 -0.04 4.32 4.03 2f73D1 THR 81 HG23 -0.07 -0.01 -0.33 -0.04 1.22 0.77 2f73D1 VAL 82 H -0.04 0.22 0.19 -0.55 8.24 8.06 2f73D1 VAL 82 HA -0.10 0.33 1.00 -0.75 4.13 4.61 2f73D1 VAL 82 HB -0.06 -0.02 0.06 -0.04 2.12 2.06 2f73D1 VAL 82 HG13 -0.06 0.06 -0.31 -0.04 0.97 0.62 2f73D1 VAL 82 HG23 -0.03 -0.00 -0.26 -0.04 0.95 0.62 2f73D1 VAL 83 H -0.31 0.24 0.16 -0.55 8.24 7.78 2f73D1 VAL 83 HA -0.28 0.30 0.84 -0.75 4.13 4.23 2f73D1 VAL 83 HB -1.03 -0.05 0.02 -0.04 2.12 1.02 2f73D1 VAL 83 HG13 -0.59 0.01 -0.23 -0.04 0.97 0.12 2f73D1 VAL 83 HG23 -0.93 0.01 -0.17 -0.04 0.95 -0.19 2f73D1 GLN 84 H -0.19 0.73 0.41 -0.55 8.47 8.88 2f73D1 GLN 84 HA -0.15 0.14 1.11 -0.75 4.36 4.70 2f73D1 GLN 84 HB2 -0.11 0.03 -0.02 -0.04 2.15 2.01 2f73D1 GLN 84 HB3 -0.11 -0.01 0.01 -0.04 2.02 1.87 2f73D1 GLN 84 HG2 -0.10 0.02 0.01 -0.04 2.40 2.30 2f73D1 GLN 84 HG3 -0.14 -0.07 0.15 -0.04 2.39 2.30 2f73D1 GLN 84 HE21 -0.06 0.04 0.02 -0.04 6.97 6.93 2f73D1 GLN 84 HE22 -0.13 -0.05 0.10 -0.04 7.69 7.56 2f73D1 LEU 85 H -0.16 0.17 0.18 -0.55 8.37 8.02 2f73D1 LEU 85 HA -0.11 0.25 0.96 -0.75 4.35 4.69 2f73D1 LEU 85 HB2 -0.09 -0.02 0.00 -0.04 1.64 1.50 2f73D1 LEU 85 HB3 -0.20 -0.02 0.13 -0.04 1.64 1.51 2f73D1 LEU 85 HG -0.07 0.10 -0.38 -0.04 1.64 1.24 2f73D1 LEU 85 HD13 0.06 0.01 -0.16 -0.04 0.93 0.80 2f73D1 LEU 85 HD23 0.04 -0.01 -0.13 -0.04 0.89 0.75 2f73D1 GLU 86 H -0.05 0.63 0.24 -0.55 8.60 8.87 2f73D1 GLU 86 HA -0.06 0.12 0.84 -0.75 4.29 4.44 2f73D1 GLU 86 HB2 -0.05 0.01 -0.09 -0.04 2.09 1.92 2f73D1 GLU 86 HB3 -0.02 -0.06 0.09 -0.04 1.99 1.96 2f73D1 GLU 86 HG2 -0.02 -0.02 -0.08 -0.04 2.34 2.18 2f73D1 GLU 86 HG3 -0.04 0.04 -0.01 -0.04 2.34 2.29 2f73D1 GLY 87 H -0.01 0.19 0.15 -0.55 8.43 8.21 2f73D1 GLY 87 HA2 0.04 0.08 0.36 -0.51 4.01 3.98 2f73D1 GLY 87 HA3 0.03 0.03 0.66 -0.51 4.01 4.22 2f73D1 ASP 88 H 0.06 0.14 0.20 -0.55 8.40 8.25 2f73D1 ASP 88 HA 0.11 0.26 0.96 -0.75 4.63 5.21 2f73D1 ASP 88 HB2 0.08 0.03 0.35 -0.04 2.71 3.14 2f73D1 ASP 88 HB3 0.08 0.06 0.06 -0.04 2.70 2.86 2f73D1 ASN 89 H 0.09 0.17 0.11 -0.55 8.53 8.35 2f73D1 ASN 89 HA 0.10 0.14 0.99 -0.75 4.76 5.23 2f73D1 ASN 89 HB2 0.01 -0.03 0.23 -0.04 2.88 3.04 2f73D1 ASN 89 HB3 -0.01 0.10 0.06 -0.04 2.79 2.90 2f73D1 ASN 89 HD21 0.02 -0.00 0.00 -0.04 7.03 7.01 2f73D1 ASN 89 HD22 0.01 0.08 0.01 -0.04 7.74 7.80 2f73D1 LYS 90 H 0.12 0.30 0.24 -0.55 8.42 8.52 2f73D1 LYS 90 HA 0.22 0.40 1.22 -0.75 4.32 5.41 2f73D1 LYS 90 HB2 0.01 0.06 -0.02 -0.04 1.87 1.88 2f73D1 LYS 90 HB3 0.06 -0.06 0.01 -0.04 1.79 1.77 2f73D1 LYS 90 HG2 0.03 0.24 0.20 -0.04 1.46 1.88 2f73D1 LYS 90 HG3 -0.00 -0.02 -0.06 -0.04 1.46 1.34 2f73D1 LYS 90 HD2 0.02 0.01 -0.08 -0.04 1.69 1.60 2f73D1 LYS 90 HD3 0.03 -0.06 -0.04 -0.04 1.68 1.56 2f73D1 LYS 90 HE2 0.01 -0.01 -0.06 -0.04 2.99 2.89 2f73D1 LYS 90 HE3 -0.00 -0.02 -0.07 -0.04 2.99 2.86 2f73D1 LEU 91 H -0.06 0.68 0.38 -0.55 8.37 8.82 2f73D1 LEU 91 HA -0.20 0.28 0.94 -0.75 4.35 4.61 2f73D1 LEU 91 HB2 -0.30 -0.04 0.11 -0.04 1.64 1.37 2f73D1 LEU 91 HB3 -0.37 0.01 -0.06 -0.04 1.64 1.18 2f73D1 LEU 91 HG -0.63 -0.08 -0.34 -0.04 1.64 0.55 2f73D1 LEU 91 HD13 -0.87 -0.01 -0.15 -0.04 0.93 -0.14 2f73D1 LEU 91 HD23 -0.48 0.02 -0.18 -0.04 0.89 0.20 2f73D1 VAL 92 H -0.17 0.63 0.35 -0.55 8.24 8.49 2f73D1 VAL 92 HA -0.11 0.48 1.20 -0.75 4.13 4.95 2f73D1 VAL 92 HB -0.10 -0.06 0.05 -0.04 2.12 1.98 2f73D1 VAL 92 HG13 -0.07 0.01 -0.06 -0.04 0.97 0.81 2f73D1 VAL 92 HG23 -0.06 -0.01 -0.19 -0.04 0.95 0.65 2f73D1 THR 93 H -0.09 0.50 0.39 -0.55 8.28 8.53 2f73D1 THR 93 HA -0.08 0.14 0.62 -0.75 4.39 4.32 2f73D1 THR 93 HB -0.16 -0.05 -0.37 -0.04 4.32 3.70 2f73D1 THR 93 HG23 0.17 -0.00 -0.34 -0.04 1.22 1.00 2f73D1 THR 94 H 0.00 0.27 0.25 -0.55 8.28 8.26 2f73D1 THR 94 HA -0.20 0.54 1.14 -0.75 4.39 5.12 2f73D1 THR 94 HB -0.04 -0.05 0.09 -0.04 4.32 4.29 2f73D1 THR 94 HG23 -0.08 -0.01 -0.13 -0.04 1.22 0.96 2f73D1 PHE 95 H -0.39 0.69 0.28 -0.55 8.34 8.37 2f73D1 PHE 95 HA -0.03 0.04 0.50 -0.75 4.62 4.38 2f73D1 PHE 95 HB2 -0.03 -0.01 -0.00 -0.04 3.15 3.07 2f73D1 PHE 95 HB3 -0.04 0.18 -0.13 -0.04 3.06 3.03 2f73D1 PHE 95 HD2 -0.04 -0.00 -0.46 -0.04 7.28 6.74 2f73D1 PHE 95 HE2 -0.02 -0.01 -0.22 -0.04 7.38 7.10 2f73D1 PHE 95 HZ 0.01 0.01 -0.19 -0.04 7.32 7.12 2f73D1 LYS 96 H 0.11 0.19 0.15 -0.55 8.42 8.31 2f73D1 LYS 96 HA 0.04 0.05 0.33 -0.75 4.32 3.99 2f73D1 LYS 96 HB2 0.13 0.20 -0.19 -0.04 1.87 1.97 2f73D1 LYS 96 HB3 0.02 0.05 0.21 -0.04 1.79 2.03 2f73D1 LYS 96 HG2 0.10 -0.00 0.02 -0.04 1.46 1.53 2f73D1 LYS 96 HG3 0.28 -0.03 -0.17 -0.04 1.46 1.50 2f73D1 LYS 96 HD2 0.03 0.05 0.00 -0.04 1.69 1.73 2f73D1 LYS 96 HD3 0.03 0.02 -0.01 -0.04 1.68 1.68 2f73D1 LYS 96 HE2 0.02 0.04 -0.04 -0.04 2.99 2.98 2f73D1 LYS 96 HE3 0.06 -0.02 -0.09 -0.04 2.99 2.89 2f73D1 ASN 97 H -0.03 0.02 -0.21 -0.55 8.53 7.76 2f73D1 ASN 97 HA -0.06 -0.01 0.23 -0.75 4.76 4.17 2f73D1 ASN 97 HB2 -0.04 0.15 -0.41 -0.04 2.88 2.55 2f73D1 ASN 97 HB3 -0.04 -0.02 0.23 -0.04 2.79 2.92 2f73D1 ASN 97 HD21 -0.02 -0.00 -0.00 -0.04 7.03 6.96 2f73D1 ASN 97 HD22 -0.03 0.01 0.02 -0.04 7.74 7.70 2f73D1 ILE 98 H -0.22 0.14 -0.57 -0.55 8.25 7.05 2f73D1 ILE 98 HA -0.14 0.29 0.97 -0.75 4.18 4.54 2f73D1 ILE 98 HB -0.84 0.12 0.08 -0.04 1.89 1.21 2f73D1 ILE 98 HG12 -0.11 -0.00 -0.09 -0.04 1.49 1.25 2f73D1 ILE 98 HG13 -0.15 0.25 -0.18 -0.04 1.21 1.10 2f73D1 ILE 98 HG23 -0.18 -0.01 -0.20 -0.04 0.93 0.50 2f73D1 ILE 98 HD13 -0.05 -0.04 -0.07 -0.04 0.88 0.68 2f73D1 LYS 99 H -0.13 0.61 0.33 -0.55 8.42 8.67 2f73D1 LYS 99 HA -0.17 0.23 1.10 -0.75 4.32 4.72 2f73D1 LYS 99 HB2 -0.07 -0.07 0.09 -0.04 1.87 1.77 2f73D1 LYS 99 HB3 -0.08 -0.00 0.05 -0.04 1.79 1.71 2f73D1 LYS 99 HG2 -0.06 -0.02 -0.09 -0.04 1.46 1.24 2f73D1 LYS 99 HG3 -0.10 -0.09 -0.41 -0.04 1.46 0.82 2f73D1 LYS 99 HD2 -0.05 0.31 0.05 -0.04 1.69 1.95 2f73D1 LYS 99 HD3 -0.04 -0.05 -0.03 -0.04 1.68 1.52 2f73D1 LYS 99 HE2 -0.05 0.06 -0.10 -0.04 2.99 2.86 2f73D1 LYS 99 HE3 -0.03 -0.00 -0.06 -0.04 2.99 2.86 2f73D1 SER 100 H -0.12 0.63 0.40 -0.55 8.46 8.82 2f73D1 SER 100 HA -0.09 0.32 1.08 -0.75 4.49 5.04 2f73D1 SER 100 HB2 -0.04 -0.02 0.02 -0.04 3.95 3.87 2f73D1 SER 100 HB3 -0.05 -0.02 -0.14 -0.04 3.93 3.68 2f73D1 VAL 101 H -0.05 0.66 0.27 -0.55 8.24 8.57 2f73D1 VAL 101 HA -0.06 0.36 1.09 -0.75 4.13 4.76 2f73D1 VAL 101 HB -0.03 -0.07 0.14 -0.04 2.12 2.13 2f73D1 VAL 101 HG13 -0.02 -0.01 -0.14 -0.04 0.97 0.76 2f73D1 VAL 101 HG23 -0.04 0.00 -0.18 -0.04 0.95 0.69 2f73D1 THR 102 H -0.07 0.57 0.28 -0.55 8.28 8.52 2f73D1 THR 102 HA -0.01 0.36 1.11 -0.75 4.39 5.09 2f73D1 THR 102 HB -0.11 -0.09 0.16 -0.04 4.32 4.24 2f73D1 THR 102 HG23 0.00 0.00 -0.18 -0.04 1.22 1.00 2f73D1 GLU 103 H 0.04 0.70 0.38 -0.55 8.60 9.17 2f73D1 GLU 103 HA 0.14 0.27 1.11 -0.75 4.29 5.06 2f73D1 GLU 103 HB2 0.03 -0.03 -0.06 -0.04 2.09 1.99 2f73D1 GLU 103 HB3 0.02 -0.04 0.11 -0.04 1.99 2.04 2f73D1 GLU 103 HG2 0.03 0.04 -0.20 -0.04 2.34 2.17 2f73D1 GLU 103 HG3 0.04 -0.04 -0.10 -0.04 2.34 2.21 2f73D1 LEU 104 H 0.05 0.65 0.32 -0.55 8.37 8.83 2f73D1 LEU 104 HA -0.04 0.24 1.08 -0.75 4.35 4.87 2f73D1 LEU 104 HB2 -0.45 -0.03 -0.07 -0.04 1.64 1.05 2f73D1 LEU 104 HB3 -0.54 -0.06 0.23 -0.04 1.64 1.23 2f73D1 LEU 104 HG -0.34 -0.03 -0.17 -0.04 1.64 1.06 2f73D1 LEU 104 HD13 -0.25 -0.05 -0.12 -0.04 0.93 0.47 2f73D1 LEU 104 HD23 0.01 0.02 -0.40 -0.04 0.89 0.48 2f73D1 ASN 105 H -0.01 0.70 0.19 -0.55 8.53 8.86 2f73D1 ASN 105 HA -0.02 0.11 0.92 -0.75 4.76 5.01 2f73D1 ASN 105 HB2 0.00 0.04 0.16 -0.04 2.88 3.04 2f73D1 ASN 105 HB3 -0.00 -0.01 0.06 -0.04 2.79 2.79 2f73D1 ASN 105 HD21 0.01 -0.02 -0.14 -0.04 7.03 6.84 2f73D1 ASN 105 HD22 0.00 0.04 -0.11 -0.04 7.74 7.63 2f73D1 GLY 106 H -0.03 0.19 0.05 -0.55 8.43 8.09 2f73D1 GLY 106 HA2 -0.01 0.05 0.35 -0.51 4.01 3.88 2f73D1 GLY 106 HA3 -0.00 0.03 0.53 -0.51 4.01 4.05 2f73D1 ASP 107 H 0.01 0.15 0.25 -0.55 8.40 8.26 2f73D1 ASP 107 HA 0.04 0.26 0.89 -0.75 4.63 5.08 2f73D1 ASP 107 HB2 0.01 -0.01 0.14 -0.04 2.71 2.81 2f73D1 ASP 107 HB3 -0.00 -0.05 0.28 -0.04 2.70 2.89 2f73D1 ILE 108 H 0.04 0.42 -0.16 -0.55 8.25 8.00 2f73D1 ILE 108 HA 0.13 0.29 1.25 -0.75 4.18 5.11 2f73D1 ILE 108 HB 0.04 -0.05 0.01 -0.04 1.89 1.85 2f73D1 ILE 108 HG12 0.05 0.20 0.07 -0.04 1.49 1.77 2f73D1 ILE 108 HG13 0.04 -0.04 -0.04 -0.04 1.21 1.13 2f73D1 ILE 108 HG23 0.02 0.00 0.13 -0.04 0.93 1.04 2f73D1 ILE 108 HD13 0.02 -0.05 -0.14 -0.04 0.88 0.67 2f73D1 ILE 109 H 0.08 0.61 0.31 -0.55 8.25 8.69 2f73D1 ILE 109 HA -0.03 0.28 1.06 -0.75 4.18 4.73 2f73D1 ILE 109 HB -0.40 0.01 -0.17 -0.04 1.89 1.28 2f73D1 ILE 109 HG12 -0.07 -0.00 -0.20 -0.04 1.49 1.17 2f73D1 ILE 109 HG13 -0.01 0.02 -0.21 -0.04 1.21 0.97 2f73D1 ILE 109 HG23 -0.36 0.01 -0.10 -0.04 0.93 0.44 2f73D1 ILE 109 HD13 -0.23 -0.01 -0.18 -0.04 0.88 0.43 2f73D1 THR 110 H 0.00 0.76 0.42 -0.55 8.28 8.91 2f73D1 THR 110 HA 0.00 0.25 1.20 -0.75 4.39 5.09 2f73D1 THR 110 HB 0.01 -0.07 0.17 -0.04 4.32 4.39 2f73D1 THR 110 HG23 0.00 -0.01 -0.07 -0.04 1.22 1.10 2f73D1 ASN 111 H 0.02 0.91 0.39 -0.55 8.53 9.30 2f73D1 ASN 111 HA -0.00 0.31 1.30 -0.75 4.76 5.62 2f73D1 ASN 111 HB2 -0.00 -0.04 -0.12 -0.04 2.88 2.67 2f73D1 ASN 111 HB3 0.06 -0.01 0.15 -0.04 2.79 2.94 2f73D1 ASN 111 HD21 -0.02 -0.01 -0.23 -0.04 7.03 6.72 2f73D1 ASN 111 HD22 0.09 -0.02 -0.14 -0.04 7.74 7.62 2f73D1 THR 112 H -0.00 0.58 0.30 -0.55 8.28 8.61 2f73D1 THR 112 HA 0.04 0.21 0.99 -0.75 4.39 4.88 2f73D1 THR 112 HB -0.01 -0.04 0.08 -0.04 4.32 4.30 2f73D1 THR 112 HG23 -0.00 0.00 -0.21 -0.04 1.22 0.97 2f73D1 MET 113 H 0.02 1.07 0.27 -0.55 8.47 9.28 2f73D1 MET 113 HA -0.10 0.33 1.10 -0.75 4.52 5.09 2f73D1 MET 113 HB2 -0.68 -0.01 0.11 -0.04 2.15 1.53 2f73D1 MET 113 HB3 -0.31 -0.01 -0.03 -0.04 2.03 1.63 2f73D1 MET 113 HG2 -0.13 0.02 -0.09 -0.04 2.63 2.38 2f73D1 MET 113 HG3 -0.14 -0.05 -0.55 -0.04 2.56 1.79 2f73D1 MET 113 HE3 0.07 -0.00 -0.14 -0.04 2.10 1.99 2f73D1 THR 114 H -0.05 0.42 0.22 -0.55 8.28 8.32 2f73D1 THR 114 HA 0.04 0.31 0.97 -0.75 4.39 4.95 2f73D1 THR 114 HB -0.03 -0.08 0.11 -0.04 4.32 4.28 2f73D1 THR 114 HG23 0.00 0.01 -0.15 -0.04 1.22 1.05 2f73D1 LEU 115 H 0.10 0.74 0.16 -0.55 8.37 8.82 2f73D1 LEU 115 HA 0.00 0.24 0.87 -0.75 4.35 4.70 2f73D1 LEU 115 HB2 0.13 0.02 -0.08 -0.04 1.64 1.67 2f73D1 LEU 115 HB3 0.15 -0.07 0.18 -0.04 1.64 1.86 2f73D1 LEU 115 HG -0.04 -0.09 -0.13 -0.04 1.64 1.35 2f73D1 LEU 115 HD13 -0.06 0.01 0.01 -0.04 0.93 0.85 2f73D1 LEU 115 HD23 -0.24 -0.01 -0.06 -0.04 0.89 0.55 2f73D1 GLY 116 H -0.01 0.22 0.11 -0.55 8.43 8.22 2f73D1 GLY 116 HA2 -0.00 0.06 0.36 -0.51 4.01 3.91 2f73D1 GLY 116 HA3 0.00 0.08 0.73 -0.51 4.01 4.31 2f73D1 ASP 117 H 0.02 0.17 0.17 -0.55 8.40 8.21 2f73D1 ASP 117 HA 0.01 0.19 0.65 -0.75 4.63 4.73 2f73D1 ASP 117 HB2 0.02 0.00 -0.01 -0.04 2.71 2.68 2f73D1 ASP 117 HB3 0.01 0.02 0.11 -0.04 2.70 2.80 2f73D1 ILE 118 H 0.05 0.31 -0.25 -0.55 8.25 7.81 2f73D1 ILE 118 HA 0.07 0.03 0.62 -0.75 4.18 4.15 2f73D1 ILE 118 HB 0.19 0.05 0.23 -0.04 1.89 2.33 2f73D1 ILE 118 HG12 0.05 -0.07 0.03 -0.04 1.49 1.47 2f73D1 ILE 118 HG13 0.05 0.08 0.27 -0.04 1.21 1.57 2f73D1 ILE 118 HG23 0.18 -0.02 -0.02 -0.04 0.93 1.03 2f73D1 ILE 118 HD13 0.03 0.00 0.03 -0.04 0.88 0.90 2f73D1 VAL 119 H 0.05 0.17 0.05 -0.55 8.24 7.97 2f73D1 VAL 119 HA 0.04 0.24 0.79 -0.75 4.13 4.45 2f73D1 VAL 119 HB 0.01 -0.04 0.11 -0.04 2.12 2.16 2f73D1 VAL 119 HG13 0.00 -0.01 -0.10 -0.04 0.97 0.82 2f73D1 VAL 119 HG23 0.01 0.04 -0.21 -0.04 0.95 0.75 2f73D1 PHE 120 H 0.11 0.30 -0.17 -0.55 8.34 8.03 2f73D1 PHE 120 HA -0.10 0.06 0.44 -0.75 4.62 4.27 2f73D1 PHE 120 HB2 -0.42 -0.08 0.08 -0.04 3.15 2.69 2f73D1 PHE 120 HB3 -0.89 0.14 0.21 -0.04 3.06 2.48 2f73D1 PHE 120 HD2 -0.22 -0.07 -0.31 -0.04 7.28 6.64 2f73D1 PHE 120 HE2 -0.05 -0.00 -0.12 -0.04 7.38 7.18 2f73D1 PHE 120 HZ 0.13 -0.00 -0.05 -0.04 7.32 7.35 2f73D1 LYS 121 H -0.27 0.30 0.42 -0.55 8.42 8.32 2f73D1 LYS 121 HA 0.04 0.25 1.11 -0.75 4.32 4.97 2f73D1 LYS 121 HB2 -0.04 0.11 0.03 -0.04 1.87 1.93 2f73D1 LYS 121 HB3 -0.09 -0.18 0.10 -0.04 1.79 1.58 2f73D1 LYS 121 HG2 -0.03 -0.05 -0.15 -0.04 1.46 1.18 2f73D1 LYS 121 HG3 -0.01 -0.16 0.03 -0.04 1.46 1.28 2f73D1 LYS 121 HD2 -0.00 -0.02 -0.10 -0.04 1.69 1.52 2f73D1 LYS 121 HD3 -0.01 0.04 -0.06 -0.04 1.68 1.61 2f73D1 LYS 121 HE2 -0.02 -0.03 -0.07 -0.04 2.99 2.83 2f73D1 LYS 121 HE3 -0.01 -0.00 -0.07 -0.04 2.99 2.86 2f73D1 ARG 122 H 0.02 0.26 0.17 -0.55 8.46 8.35 2f73D1 ARG 122 HA -0.05 0.18 0.77 -0.75 4.34 4.48 2f73D1 ARG 122 HB2 0.19 0.11 0.08 -0.04 1.90 2.24 2f73D1 ARG 122 HB3 0.09 -0.04 -0.02 -0.04 1.80 1.79 2f73D1 ARG 122 HG2 0.05 0.04 0.18 -0.04 1.67 1.89 2f73D1 ARG 122 HG3 -0.02 0.11 0.07 -0.04 1.67 1.78 2f73D1 ARG 122 HD2 0.29 0.02 0.01 -0.04 3.22 3.49 2f73D1 ARG 122 HD3 0.57 -0.01 -0.07 -0.04 3.22 3.67 2f73D1 ILE 123 H -0.01 0.70 0.32 -0.55 8.25 8.71 2f73D1 ILE 123 HA 0.01 0.28 1.19 -0.75 4.18 4.92 2f73D1 ILE 123 HB -0.00 -0.11 0.19 -0.04 1.89 1.93 2f73D1 ILE 123 HG12 -0.00 0.05 -0.08 -0.04 1.49 1.42 2f73D1 ILE 123 HG13 -0.01 -0.17 -0.49 -0.04 1.21 0.49 2f73D1 ILE 123 HG23 0.02 0.02 -0.06 -0.04 0.93 0.86 2f73D1 ILE 123 HD13 -0.01 -0.01 -0.09 -0.04 0.88 0.73 2f73D1 SER 124 H 0.03 0.65 0.37 -0.55 8.46 8.97 2f73D1 SER 124 HA 0.07 0.21 1.01 -0.75 4.49 5.03 2f73D1 SER 124 HB2 0.09 -0.03 -0.09 -0.04 3.95 3.87 2f73D1 SER 124 HB3 0.16 0.01 -0.50 -0.04 3.93 3.56 2f73D1 LYS 125 H 0.11 0.61 0.29 -0.55 8.42 8.88 2f73D1 LYS 125 HA 0.18 0.26 1.20 -0.75 4.32 5.21 2f73D1 LYS 125 HB2 0.05 -0.06 -0.08 -0.04 1.87 1.74 2f73D1 LYS 125 HB3 0.04 -0.01 0.08 -0.04 1.79 1.86 2f73D1 LYS 125 HG2 0.01 0.20 -0.03 -0.04 1.46 1.59 2f73D1 LYS 125 HG3 0.04 0.05 0.08 -0.04 1.46 1.59 2f73D1 LYS 125 HD2 0.01 -0.03 0.00 -0.04 1.69 1.63 2f73D1 LYS 125 HD3 0.02 -0.05 -0.03 -0.04 1.68 1.58 2f73D1 LYS 125 HE2 0.01 -0.01 -0.03 -0.04 2.99 2.93 2f73D1 LYS 125 HE3 0.00 0.05 -0.02 -0.04 2.99 2.98 2f73D1 ARG 126 H 0.01 0.57 0.36 -0.55 8.46 8.84 2f73D1 ARG 126 HA -0.44 0.36 0.64 -0.75 4.34 4.14 2f73D1 ARG 126 HB2 -0.25 0.04 0.18 -0.04 1.90 1.83 2f73D1 ARG 126 HB3 -0.13 -0.08 0.18 -0.04 1.80 1.72 2f73D1 ARG 126 HG2 -0.23 0.10 0.04 -0.04 1.67 1.55 2f73D1 ARG 126 HG3 -0.60 -0.02 0.05 -0.04 1.67 1.05 2f73D1 ARG 126 HD2 -0.11 -0.07 0.04 -0.04 3.22 3.03 2f73D1 ARG 126 HD3 -0.13 -0.03 0.05 -0.04 3.22 3.07 2f73D1 ILE 127 H -0.16 0.40 0.29 -0.55 8.25 8.22 2f73D1 ILE 127 HA -0.05 0.23 0.78 -0.75 4.18 4.38 2f73D1 ILE 127 HB -0.03 0.00 0.08 -0.04 1.89 1.91 2f73D1 ILE 127 HG12 -0.07 0.02 0.15 -0.04 1.49 1.54 2f73D1 ILE 127 HG13 -0.04 -0.01 0.06 -0.04 1.21 1.19 2f73D1 ILE 127 HG23 -0.02 0.04 -0.06 -0.04 0.93 0.84 2f73D1 ILE 127 HD13 -0.01 -0.01 -0.08 -0.04 0.88 0.74