============================================================================= 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 6 0.840 -1.163 -2.540-119.040 -99.200 -91.000 PHE 7 1.000 -9.256 -1.530-117.417 -99.200 -91.000 PHE 12 1.000 -14.010 1.938-104.875 -99.200 -91.000 TYR 16 0.840 -15.587 4.308 -97.248 -99.200 -91.000 PHE 24 1.000 -33.175 -0.767 -93.564 -99.200 -91.000 PHE 27 1.000 -32.621 -3.979-101.722 -99.200 -91.000 HIS 56 0.900 -8.970 -10.018-102.611 -99.200 -91.000 PHE 57 1.000 -12.412 -3.529-104.881 -99.200 -91.000 PHE 59 1.000 -18.443 -6.359 -99.844 -99.200 -91.000 PHE 72 1.000 -15.835 -7.517-105.126 -99.200 -91.000 PHE 104 1.000 -26.948 -9.256-105.497 -99.200 -91.000 PHE 129 1.000 -30.840 -0.283 -98.834 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2f73G1 GLY -8 HA2 0.00 -0.04 0.16 -0.51 4.01 3.63 2f73G1 GLY -8 HA3 0.00 -0.10 0.23 -0.51 4.01 3.64 2f73G1 THR -7 H 0.00 0.09 0.12 -0.55 8.28 7.94 2f73G1 THR -7 HA -0.00 0.23 0.98 -0.75 4.39 4.85 2f73G1 THR -7 HB 0.00 0.03 0.04 -0.04 4.32 4.36 2f73G1 THR -7 HG23 0.01 -0.01 -0.04 -0.04 1.22 1.14 2f73G1 GLU -6 H -0.02 0.30 0.23 -0.55 8.60 8.57 2f73G1 GLU -6 HA -0.03 0.13 0.73 -0.75 4.29 4.36 2f73G1 GLU -6 HB2 -0.03 -0.02 -0.01 -0.04 2.09 1.99 2f73G1 GLU -6 HB3 -0.06 0.02 -0.02 -0.04 1.99 1.88 2f73G1 GLU -6 HG2 -0.02 0.06 -0.36 -0.04 2.34 1.98 2f73G1 GLU -6 HG3 -0.02 -0.01 -0.08 -0.04 2.34 2.19 2f73G1 ASN -5 H -0.14 0.23 0.16 -0.55 8.53 8.23 2f73G1 ASN -5 HA -0.15 0.18 0.97 -0.75 4.76 5.01 2f73G1 ASN -5 HB2 -0.29 -0.01 0.07 -0.04 2.88 2.60 2f73G1 ASN -5 HB3 -0.35 0.03 -0.04 -0.04 2.79 2.40 2f73G1 ASN -5 HD21 0.04 0.03 -0.14 -0.04 7.03 6.92 2f73G1 ASN -5 HD22 0.04 -0.01 -0.06 -0.04 7.74 7.67 2f73G1 LEU -4 H -0.18 0.22 0.12 -0.55 8.37 7.98 2f73G1 LEU -4 HA -0.42 0.16 0.94 -0.75 4.35 4.27 2f73G1 LEU -4 HB2 0.15 -0.00 0.15 -0.04 1.64 1.89 2f73G1 LEU -4 HB3 -0.14 0.04 -0.01 -0.04 1.64 1.49 2f73G1 LEU -4 HG -0.08 0.04 -0.11 -0.04 1.64 1.45 2f73G1 LEU -4 HD13 -0.05 -0.07 -0.25 -0.04 0.93 0.52 2f73G1 LEU -4 HD23 0.13 0.01 -0.02 -0.04 0.89 0.96 2f73G1 TYR -3 H -0.48 0.19 0.13 -0.55 8.29 7.58 2f73G1 TYR -3 HA -0.05 0.17 0.97 -0.75 4.56 4.89 2f73G1 TYR -3 HB2 -0.13 -0.01 0.07 -0.04 3.06 2.95 2f73G1 TYR -3 HB3 -0.05 0.04 -0.01 -0.04 2.98 2.92 2f73G1 TYR -3 HD2 -0.03 0.03 -0.06 -0.04 7.15 7.05 2f73G1 TYR -3 HE2 -0.01 0.01 -0.05 -0.04 6.85 6.75 2f73G1 PHE -2 H 0.29 0.22 0.20 -0.55 8.34 8.51 2f73G1 PHE -2 HA 0.09 0.17 0.89 -0.75 4.62 5.01 2f73G1 PHE -2 HB2 0.09 -0.02 -0.06 -0.04 3.15 3.12 2f73G1 PHE -2 HB3 0.07 0.08 0.03 -0.04 3.06 3.20 2f73G1 PHE -2 HD2 0.05 0.02 -0.07 -0.04 7.28 7.25 2f73G1 PHE -2 HE2 0.01 0.01 -0.08 -0.04 7.38 7.28 2f73G1 PHE -2 HZ -0.00 -0.02 -0.06 -0.04 7.32 7.19 2f73G1 GLN -1 H 0.21 0.30 0.21 -0.55 8.47 8.64 2f73G1 GLN -1 HA 0.13 0.15 0.83 -0.75 4.36 4.71 2f73G1 GLN -1 HB2 0.07 0.01 -0.08 -0.04 2.15 2.12 2f73G1 GLN -1 HB3 0.08 -0.03 0.03 -0.04 2.02 2.05 2f73G1 GLN -1 HG2 0.06 0.07 -0.20 -0.04 2.40 2.28 2f73G1 GLN -1 HG3 0.06 0.01 0.09 -0.04 2.39 2.50 2f73G1 GLN -1 HE21 0.01 -0.01 -0.03 -0.04 6.97 6.90 2f73G1 GLN -1 HE22 0.03 0.01 -0.02 -0.04 7.69 7.66 2f73G1 SER 0 H 0.11 0.28 0.21 -0.55 8.46 8.50 2f73G1 SER 0 HA 0.11 0.10 0.97 -0.75 4.49 4.91 2f73G1 SER 0 HB2 0.24 0.16 0.13 -0.04 3.95 4.44 2f73G1 SER 0 HB3 0.19 -0.05 -0.22 -0.04 3.93 3.81 2f73G1 MET 1 H 0.01 0.43 0.27 -0.55 8.47 8.63 2f73G1 MET 1 HA -0.03 0.01 0.56 -0.75 4.52 4.31 2f73G1 MET 1 HB2 -0.21 0.05 0.09 -0.04 2.15 2.04 2f73G1 MET 1 HB3 -0.13 0.05 0.08 -0.04 2.03 1.99 2f73G1 MET 1 HG2 -0.02 -0.04 0.04 -0.04 2.63 2.57 2f73G1 MET 1 HG3 -0.07 -0.02 0.01 -0.04 2.56 2.45 2f73G1 MET 1 HE3 0.00 -0.01 -0.10 -0.04 2.10 1.95 2f73G1 SER 2 H -0.04 0.08 0.16 -0.55 8.46 8.11 2f73G1 SER 2 HA 0.07 0.11 0.60 -0.75 4.49 4.52 2f73G1 SER 2 HB2 0.00 0.00 0.16 -0.04 3.95 4.07 2f73G1 SER 2 HB3 0.01 0.08 0.03 -0.04 3.93 4.01 2f73G1 PHE 3 H 0.26 0.04 0.14 -0.55 8.34 8.23 2f73G1 PHE 3 HA 0.15 0.24 0.71 -0.75 4.62 4.96 2f73G1 PHE 3 HB2 0.21 -0.05 -0.04 -0.04 3.15 3.22 2f73G1 PHE 3 HB3 0.20 -0.02 -0.12 -0.04 3.06 3.08 2f73G1 PHE 3 HD2 0.13 -0.00 -0.12 -0.04 7.28 7.25 2f73G1 PHE 3 HE2 0.03 -0.00 -0.19 -0.04 7.38 7.18 2f73G1 PHE 3 HZ -0.01 -0.06 -0.28 -0.04 7.32 6.93 2f73G1 SER 4 H 0.12 -0.08 0.03 -0.55 8.46 7.97 2f73G1 SER 4 HA 0.12 0.35 0.36 -0.75 4.49 4.57 2f73G1 SER 4 HB2 0.03 -0.01 0.14 -0.04 3.95 4.06 2f73G1 SER 4 HB3 0.02 0.07 0.13 -0.04 3.93 4.11 2f73G1 GLY 5 H 0.10 0.60 0.48 -0.55 8.43 9.07 2f73G1 GLY 5 HA2 -0.08 -0.05 0.38 -0.51 4.01 3.74 2f73G1 GLY 5 HA3 -0.22 0.17 0.62 -0.51 4.01 4.07 2f73G1 LYS 6 H -0.22 0.12 0.25 -0.55 8.42 8.02 2f73G1 LYS 6 HA 0.02 0.32 1.15 -0.75 4.32 5.05 2f73G1 LYS 6 HB2 -0.08 -0.09 0.16 -0.04 1.87 1.82 2f73G1 LYS 6 HB3 -0.02 0.03 -0.02 -0.04 1.79 1.73 2f73G1 LYS 6 HG2 0.01 0.03 -0.08 -0.04 1.46 1.38 2f73G1 LYS 6 HG3 0.00 -0.01 -0.12 -0.04 1.46 1.29 2f73G1 LYS 6 HD2 -0.02 0.01 -0.02 -0.04 1.69 1.62 2f73G1 LYS 6 HD3 -0.01 0.01 -0.04 -0.04 1.68 1.59 2f73G1 LYS 6 HE2 -0.06 -0.07 0.07 -0.04 2.99 2.89 2f73G1 LYS 6 HE3 -0.06 -0.04 0.09 -0.04 2.99 2.93 2f73G1 TYR 7 H 0.19 0.91 0.45 -0.55 8.29 9.29 2f73G1 TYR 7 HA 0.02 0.34 1.34 -0.75 4.56 5.51 2f73G1 TYR 7 HB2 0.04 -0.09 0.05 -0.04 3.06 3.03 2f73G1 TYR 7 HB3 0.02 -0.01 -0.17 -0.04 2.98 2.78 2f73G1 TYR 7 HD2 0.04 0.02 -0.41 -0.04 7.15 6.76 2f73G1 TYR 7 HE2 0.06 0.12 -0.20 -0.04 6.85 6.79 2f73G1 GLN 8 H 0.08 0.52 0.32 -0.55 8.47 8.84 2f73G1 GLN 8 HA 0.05 0.26 0.82 -0.75 4.36 4.73 2f73G1 GLN 8 HB2 0.02 -0.06 0.04 -0.04 2.15 2.11 2f73G1 GLN 8 HB3 0.03 -0.06 0.11 -0.04 2.02 2.06 2f73G1 GLN 8 HG2 0.02 -0.09 -0.12 -0.04 2.40 2.16 2f73G1 GLN 8 HG3 0.02 0.25 -0.36 -0.04 2.39 2.26 2f73G1 GLN 8 HE21 0.01 -0.03 0.00 -0.04 6.97 6.91 2f73G1 GLN 8 HE22 0.01 -0.08 -0.02 -0.04 7.69 7.56 2f73G1 LEU 9 H 0.03 0.68 0.24 -0.55 8.37 8.77 2f73G1 LEU 9 HA 0.02 0.03 0.64 -0.75 4.35 4.29 2f73G1 LEU 9 HB2 0.00 -0.01 0.15 -0.04 1.64 1.74 2f73G1 LEU 9 HB3 -0.01 -0.14 0.20 -0.04 1.64 1.66 2f73G1 LEU 9 HG -0.02 0.10 -0.19 -0.04 1.64 1.49 2f73G1 LEU 9 HD13 -0.03 0.03 0.04 -0.04 0.93 0.92 2f73G1 LEU 9 HD23 -0.05 -0.02 -0.01 -0.04 0.89 0.77 2f73G1 GLN 10 H 0.01 0.48 0.36 -0.55 8.47 8.78 2f73G1 GLN 10 HA 0.01 0.15 0.81 -0.75 4.36 4.58 2f73G1 GLN 10 HB2 0.01 -0.17 0.03 -0.04 2.15 1.98 2f73G1 GLN 10 HB3 0.01 -0.03 -0.00 -0.04 2.02 1.96 2f73G1 GLN 10 HG2 0.03 0.03 -0.01 -0.04 2.40 2.41 2f73G1 GLN 10 HG3 0.02 -0.04 -0.11 -0.04 2.39 2.23 2f73G1 GLN 10 HE21 0.02 -0.02 -0.11 -0.04 6.97 6.82 2f73G1 GLN 10 HE22 0.03 0.15 -0.16 -0.04 7.69 7.68 2f73G1 SER 11 H -0.00 0.05 0.20 -0.55 8.46 8.16 2f73G1 SER 11 HA 0.01 0.26 0.89 -0.75 4.49 4.89 2f73G1 SER 11 HB2 0.01 0.04 0.04 -0.04 3.95 4.00 2f73G1 SER 11 HB3 -0.00 -0.10 0.11 -0.04 3.93 3.90 2f73G1 GLN 12 H 0.03 0.19 0.14 -0.55 8.47 8.28 2f73G1 GLN 12 HA 0.04 0.20 0.63 -0.75 4.36 4.48 2f73G1 GLN 12 HB2 0.02 0.28 -0.08 -0.04 2.15 2.32 2f73G1 GLN 12 HB3 0.05 -0.04 -0.03 -0.04 2.02 1.96 2f73G1 GLN 12 HG2 0.35 -0.14 -0.12 -0.04 2.40 2.45 2f73G1 GLN 12 HG3 0.25 0.09 0.14 -0.04 2.39 2.83 2f73G1 GLN 12 HE21 -0.31 0.06 -0.11 -0.04 6.97 6.57 2f73G1 GLN 12 HE22 -0.06 0.00 -0.13 -0.04 7.69 7.46 2f73G1 GLU 13 H 0.16 0.71 0.36 -0.55 8.60 9.29 2f73G1 GLU 13 HA 0.12 0.16 1.11 -0.75 4.29 4.93 2f73G1 GLU 13 HB2 0.08 -0.02 0.16 -0.04 2.09 2.27 2f73G1 GLU 13 HB3 0.08 0.01 0.14 -0.04 1.99 2.18 2f73G1 GLU 13 HG2 0.05 0.06 -0.01 -0.04 2.34 2.41 2f73G1 GLU 13 HG3 0.05 -0.12 -0.32 -0.04 2.34 1.90 2f73G1 ASN 14 H 0.11 0.18 0.22 -0.55 8.53 8.49 2f73G1 ASN 14 HA 0.07 -0.01 0.37 -0.75 4.76 4.43 2f73G1 ASN 14 HB2 0.17 0.37 -0.18 -0.04 2.88 3.19 2f73G1 ASN 14 HB3 0.09 -0.10 0.13 -0.04 2.79 2.87 2f73G1 ASN 14 HD21 0.04 0.08 0.07 -0.04 7.03 7.17 2f73G1 ASN 14 HD22 0.05 -0.03 0.06 -0.04 7.74 7.77 2f73G1 PHE 15 H 0.22 0.12 -0.34 -0.55 8.34 7.79 2f73G1 PHE 15 HA -0.67 0.16 0.41 -0.75 4.62 3.77 2f73G1 PHE 15 HB2 0.11 0.11 -0.02 -0.04 3.15 3.31 2f73G1 PHE 15 HB3 0.00 -0.07 0.08 -0.04 3.06 3.03 2f73G1 PHE 15 HD2 -0.23 -0.03 -0.02 -0.04 7.28 6.96 2f73G1 PHE 15 HE2 0.01 0.04 -0.18 -0.04 7.38 7.21 2f73G1 PHE 15 HZ 0.02 -0.01 -0.21 -0.04 7.32 7.08 2f73G1 GLU 16 H -0.02 0.12 -0.02 -0.55 8.60 8.12 2f73G1 GLU 16 HA -0.55 0.12 0.31 -0.75 4.29 3.42 2f73G1 GLU 16 HB2 -0.04 0.04 0.07 -0.04 2.09 2.11 2f73G1 GLU 16 HB3 -0.06 -0.03 -0.00 -0.04 1.99 1.85 2f73G1 GLU 16 HG2 -0.10 0.02 -0.10 -0.04 2.34 2.11 2f73G1 GLU 16 HG3 -0.13 0.02 -0.01 -0.04 2.34 2.18 2f73G1 ALA 17 H -0.09 -0.08 -0.65 -0.55 8.40 7.03 2f73G1 ALA 17 HA -0.08 0.10 0.39 -0.75 4.34 4.00 2f73G1 ALA 17 HB3 -0.00 0.02 0.04 -0.04 1.41 1.43 2f73G1 PHE 18 H -0.07 0.65 -0.04 -0.55 8.34 8.34 2f73G1 PHE 18 HA -0.10 0.04 0.40 -0.75 4.62 4.21 2f73G1 PHE 18 HB2 -0.15 0.04 0.15 -0.04 3.15 3.15 2f73G1 PHE 18 HB3 -0.69 0.01 0.20 -0.04 3.06 2.54 2f73G1 PHE 18 HD2 -0.04 -0.03 -0.07 -0.04 7.28 7.10 2f73G1 PHE 18 HE2 0.11 -0.05 -0.17 -0.04 7.38 7.24 2f73G1 PHE 18 HZ 0.08 -0.03 -0.14 -0.04 7.32 7.19 2f73G1 MET 19 H -0.31 0.47 -0.03 -0.55 8.47 8.04 2f73G1 MET 19 HA -0.23 -0.02 0.23 -0.75 4.52 3.76 2f73G1 MET 19 HB2 -0.45 0.06 -0.08 -0.04 2.15 1.64 2f73G1 MET 19 HB3 -0.20 -0.06 -0.02 -0.04 2.03 1.72 2f73G1 MET 19 HG2 -0.63 0.21 0.07 -0.04 2.63 2.24 2f73G1 MET 19 HG3 -0.50 -0.01 -0.09 -0.04 2.56 1.92 2f73G1 MET 19 HE3 0.15 0.00 -0.11 -0.04 2.10 2.10 2f73G1 LYS 20 H -0.23 0.07 -1.17 -0.55 8.42 6.54 2f73G1 LYS 20 HA -0.14 -0.04 0.33 -0.75 4.32 3.71 2f73G1 LYS 20 HB2 -0.13 0.17 0.31 -0.04 1.87 2.18 2f73G1 LYS 20 HB3 -0.13 0.36 0.23 -0.04 1.79 2.22 2f73G1 LYS 20 HG2 -0.07 -0.07 0.01 -0.04 1.46 1.29 2f73G1 LYS 20 HG3 -0.08 -0.03 -0.20 -0.04 1.46 1.10 2f73G1 LYS 20 HD2 -0.06 -0.06 -0.01 -0.04 1.69 1.52 2f73G1 LYS 20 HD3 -0.09 -0.00 0.06 -0.04 1.68 1.61 2f73G1 LYS 20 HE2 -0.06 -0.07 -0.03 -0.04 2.99 2.79 2f73G1 LYS 20 HE3 -0.09 0.17 -0.10 -0.04 2.99 2.93 2f73G1 ALA 21 H -0.19 0.41 -0.14 -0.55 8.40 7.93 2f73G1 ALA 21 HA -0.11 0.14 1.02 -0.75 4.34 4.64 2f73G1 ALA 21 HB3 -0.10 -0.00 0.12 -0.04 1.41 1.38 2f73G1 ILE 22 H -0.14 0.02 -0.05 -0.55 8.25 7.53 2f73G1 ILE 22 HA -0.13 0.18 0.67 -0.75 4.18 4.14 2f73G1 ILE 22 HB -0.12 -0.08 0.04 -0.04 1.89 1.68 2f73G1 ILE 22 HG12 -0.21 0.23 -0.04 -0.04 1.49 1.44 2f73G1 ILE 22 HG13 -0.09 -0.12 -0.28 -0.04 1.21 0.68 2f73G1 ILE 22 HG23 -0.57 0.05 -0.27 -0.04 0.93 0.09 2f73G1 ILE 22 HD13 -0.07 -0.03 -0.16 -0.04 0.88 0.58 2f73G1 GLY 23 H -0.09 0.04 0.16 -0.55 8.43 7.99 2f73G1 GLY 23 HA2 -0.04 0.01 0.28 -0.51 4.01 3.75 2f73G1 GLY 23 HA3 -0.03 0.20 0.83 -0.51 4.01 4.50 2f73G1 LEU 24 H -0.07 0.10 0.00 -0.55 8.37 7.85 2f73G1 LEU 24 HA -0.02 0.16 0.52 -0.75 4.35 4.26 2f73G1 LEU 24 HB2 -0.05 -0.05 -0.00 -0.04 1.64 1.50 2f73G1 LEU 24 HB3 -0.09 0.07 0.04 -0.04 1.64 1.62 2f73G1 LEU 24 HG -0.00 -0.05 -0.11 -0.04 1.64 1.44 2f73G1 LEU 24 HD13 -0.00 0.00 -0.23 -0.04 0.93 0.66 2f73G1 LEU 24 HD23 0.04 0.01 -0.08 -0.04 0.89 0.81 2f73G1 PRO 25 HA -0.02 0.04 0.42 -0.51 4.44 4.37 2f73G1 PRO 25 HB2 0.00 -0.08 0.05 -0.04 2.28 2.21 2f73G1 PRO 25 HB3 -0.00 0.00 0.10 -0.04 2.02 2.08 2f73G1 PRO 25 HG2 0.00 0.06 0.08 -0.04 2.03 2.14 2f73G1 PRO 25 HG3 -0.01 0.10 0.12 -0.04 2.03 2.20 2f73G1 PRO 25 HD2 0.00 0.07 0.17 -0.04 3.68 3.88 2f73G1 PRO 25 HD3 -0.01 0.39 0.36 -0.04 3.65 4.35 2f73G1 GLU 26 H -0.02 0.21 0.22 -0.55 8.60 8.46 2f73G1 GLU 26 HA -0.04 0.14 0.47 -0.75 4.29 4.11 2f73G1 GLU 26 HB2 -0.02 -0.02 0.09 -0.04 2.09 2.11 2f73G1 GLU 26 HB3 -0.02 0.03 0.08 -0.04 1.99 2.03 2f73G1 GLU 26 HG2 -0.03 0.03 0.06 -0.04 2.34 2.36 2f73G1 GLU 26 HG3 -0.04 0.09 0.09 -0.04 2.34 2.45 2f73G1 GLU 27 H -0.01 0.07 -0.16 -0.55 8.60 7.96 2f73G1 GLU 27 HA 0.00 0.08 0.28 -0.75 4.29 3.90 2f73G1 GLU 27 HB2 -0.00 -0.02 0.09 -0.04 2.09 2.13 2f73G1 GLU 27 HB3 0.00 0.02 -0.03 -0.04 1.99 1.94 2f73G1 GLU 27 HG2 0.00 0.02 0.01 -0.04 2.34 2.33 2f73G1 GLU 27 HG3 0.01 0.04 -0.04 -0.04 2.34 2.30 2f73G1 LEU 28 H 0.00 0.25 -0.95 -0.55 8.37 7.13 2f73G1 LEU 28 HA 0.04 0.14 0.74 -0.75 4.35 4.51 2f73G1 LEU 28 HB2 0.02 -0.07 -0.04 -0.04 1.64 1.51 2f73G1 LEU 28 HB3 0.04 0.05 -0.20 -0.04 1.64 1.49 2f73G1 LEU 28 HG 0.03 0.01 -0.06 -0.04 1.64 1.57 2f73G1 LEU 28 HD13 0.02 0.00 -0.04 -0.04 0.93 0.88 2f73G1 LEU 28 HD23 0.05 0.02 -0.02 -0.04 0.89 0.91 2f73G1 ILE 29 H -0.00 0.47 0.03 -0.55 8.25 8.19 2f73G1 ILE 29 HA -0.01 0.01 0.23 -0.75 4.18 3.65 2f73G1 ILE 29 HB -0.04 0.05 0.14 -0.04 1.89 1.99 2f73G1 ILE 29 HG12 -0.07 0.29 -0.17 -0.04 1.49 1.51 2f73G1 ILE 29 HG13 -0.10 -0.03 -0.09 -0.04 1.21 0.95 2f73G1 ILE 29 HG23 -0.18 -0.02 -0.14 -0.04 0.93 0.55 2f73G1 ILE 29 HD13 -0.22 0.02 -0.18 -0.04 0.88 0.45 2f73G1 GLN 30 H 0.03 0.32 -0.51 -0.55 8.47 7.77 2f73G1 GLN 30 HA 0.08 0.05 0.40 -0.75 4.36 4.14 2f73G1 GLN 30 HB2 0.02 0.10 -0.04 -0.04 2.15 2.20 2f73G1 GLN 30 HB3 0.03 -0.02 -0.08 -0.04 2.02 1.92 2f73G1 GLN 30 HG2 0.01 0.04 -0.05 -0.04 2.40 2.36 2f73G1 GLN 30 HG3 0.02 -0.01 -0.03 -0.04 2.39 2.33 2f73G1 GLN 30 HE21 0.03 -0.02 -0.02 -0.04 6.97 6.92 2f73G1 GLN 30 HE22 0.02 0.01 -0.03 -0.04 7.69 7.65 2f73G1 LYS 31 H 0.06 0.27 -0.21 -0.55 8.42 7.98 2f73G1 LYS 31 HA 0.05 0.11 1.00 -0.75 4.32 4.72 2f73G1 LYS 31 HB2 0.04 0.01 0.24 -0.04 1.87 2.12 2f73G1 LYS 31 HB3 0.03 -0.01 0.11 -0.04 1.79 1.88 2f73G1 LYS 31 HG2 0.03 -0.01 0.04 -0.04 1.46 1.48 2f73G1 LYS 31 HG3 0.03 -0.07 0.07 -0.04 1.46 1.45 2f73G1 LYS 31 HD2 0.02 0.11 0.13 -0.04 1.69 1.91 2f73G1 LYS 31 HD3 0.04 -0.01 0.19 -0.04 1.68 1.86 2f73G1 LYS 31 HE2 0.03 0.01 0.09 -0.04 2.99 3.07 2f73G1 LYS 31 HE3 0.03 -0.02 0.09 -0.04 2.99 3.04 2f73G1 GLY 32 H 0.08 -0.26 -0.01 -0.55 8.43 7.70 2f73G1 GLY 32 HA2 0.02 0.08 0.13 -0.51 4.01 3.73 2f73G1 GLY 32 HA3 0.11 0.04 0.46 -0.51 4.01 4.11 2f73G1 LYS 33 H 0.11 -0.05 0.14 -0.55 8.42 8.06 2f73G1 LYS 33 HA -0.36 0.20 0.72 -0.75 4.32 4.12 2f73G1 LYS 33 HB2 0.24 -0.05 0.07 -0.04 1.87 2.09 2f73G1 LYS 33 HB3 0.51 0.13 0.06 -0.04 1.79 2.45 2f73G1 LYS 33 HG2 0.14 0.17 0.17 -0.04 1.46 1.89 2f73G1 LYS 33 HG3 0.08 -0.14 0.15 -0.04 1.46 1.51 2f73G1 LYS 33 HD2 0.07 -0.01 -0.09 -0.04 1.69 1.62 2f73G1 LYS 33 HD3 0.12 -0.06 -0.02 -0.04 1.68 1.68 2f73G1 LYS 33 HE2 0.06 0.00 0.03 -0.04 2.99 3.04 2f73G1 LYS 33 HE3 0.05 0.02 0.04 -0.04 2.99 3.06 2f73G1 ASP 34 H 0.00 -0.08 0.04 -0.55 8.40 7.82 2f73G1 ASP 34 HA -0.01 0.22 0.73 -0.75 4.63 4.81 2f73G1 ASP 34 HB2 0.01 -0.01 0.00 -0.04 2.71 2.67 2f73G1 ASP 34 HB3 0.01 0.04 0.07 -0.04 2.70 2.78 2f73G1 ILE 35 H -0.03 -0.15 -0.21 -0.55 8.25 7.30 2f73G1 ILE 35 HA -0.02 0.04 0.25 -0.75 4.18 3.70 2f73G1 ILE 35 HB -0.04 0.03 0.05 -0.04 1.89 1.88 2f73G1 ILE 35 HG12 0.01 0.13 -0.14 -0.04 1.49 1.44 2f73G1 ILE 35 HG13 0.00 0.05 -0.07 -0.04 1.21 1.15 2f73G1 ILE 35 HG23 -0.01 0.02 -0.16 -0.04 0.93 0.74 2f73G1 ILE 35 HD13 0.01 -0.10 -0.05 -0.04 0.88 0.70 2f73G1 LYS 36 H -0.01 0.20 0.23 -0.55 8.42 8.28 2f73G1 LYS 36 HA -0.02 0.06 0.60 -0.75 4.32 4.21 2f73G1 LYS 36 HB2 -0.00 -0.12 0.30 -0.04 1.87 2.00 2f73G1 LYS 36 HB3 -0.00 0.33 0.26 -0.04 1.79 2.34 2f73G1 LYS 36 HG2 -0.01 0.04 -0.04 -0.04 1.46 1.40 2f73G1 LYS 36 HG3 -0.02 0.13 0.09 -0.04 1.46 1.62 2f73G1 LYS 36 HD2 -0.00 -0.07 0.09 -0.04 1.69 1.67 2f73G1 LYS 36 HD3 0.00 -0.11 0.12 -0.04 1.68 1.65 2f73G1 LYS 36 HE2 0.00 -0.15 0.13 -0.04 2.99 2.93 2f73G1 LYS 36 HE3 0.00 0.44 0.30 -0.04 2.99 3.69 2f73G1 GLY 37 H -0.01 0.31 0.14 -0.55 8.43 8.33 2f73G1 GLY 37 HA2 0.01 0.09 0.48 -0.51 4.01 4.08 2f73G1 GLY 37 HA3 0.01 0.03 0.33 -0.51 4.01 3.87 2f73G1 VAL 38 H 0.03 0.17 0.18 -0.55 8.24 8.07 2f73G1 VAL 38 HA 0.06 0.51 1.18 -0.75 4.13 5.13 2f73G1 VAL 38 HB 0.03 -0.05 0.04 -0.04 2.12 2.09 2f73G1 VAL 38 HG13 0.04 -0.03 -0.31 -0.04 0.97 0.63 2f73G1 VAL 38 HG23 0.03 0.01 -0.29 -0.04 0.95 0.65 2f73G1 SER 39 H 0.13 0.69 0.41 -0.55 8.46 9.15 2f73G1 SER 39 HA 0.10 0.32 1.08 -0.75 4.49 5.23 2f73G1 SER 39 HB2 0.17 -0.03 0.03 -0.04 3.95 4.08 2f73G1 SER 39 HB3 0.14 0.01 0.12 -0.04 3.93 4.16 2f73G1 GLU 40 H 0.12 0.63 0.40 -0.55 8.60 9.21 2f73G1 GLU 40 HA 0.16 0.34 1.34 -0.75 4.29 5.38 2f73G1 GLU 40 HB2 0.06 -0.02 -0.04 -0.04 2.09 2.04 2f73G1 GLU 40 HB3 0.07 -0.03 0.13 -0.04 1.99 2.11 2f73G1 GLU 40 HG2 0.07 0.08 -0.22 -0.04 2.34 2.22 2f73G1 GLU 40 HG3 0.03 -0.05 -0.12 -0.04 2.34 2.16 2f73G1 ILE 41 H 0.24 0.73 0.38 -0.55 8.25 9.06 2f73G1 ILE 41 HA 0.20 0.25 1.06 -0.75 4.18 4.94 2f73G1 ILE 41 HB 0.35 0.27 0.07 -0.04 1.89 2.54 2f73G1 ILE 41 HG12 0.17 -0.03 -0.16 -0.04 1.49 1.42 2f73G1 ILE 41 HG13 0.24 -0.06 -0.28 -0.04 1.21 1.07 2f73G1 ILE 41 HG23 0.24 -0.06 -0.35 -0.04 0.93 0.72 2f73G1 ILE 41 HD13 0.05 0.01 -0.16 -0.04 0.88 0.74 2f73G1 VAL 42 H 0.05 0.73 0.27 -0.55 8.24 8.74 2f73G1 VAL 42 HA 0.00 0.05 0.93 -0.75 4.13 4.36 2f73G1 VAL 42 HB -0.01 0.04 0.13 -0.04 2.12 2.24 2f73G1 VAL 42 HG13 -0.03 -0.01 -0.16 -0.04 0.97 0.73 2f73G1 VAL 42 HG23 0.02 -0.00 -0.17 -0.04 0.95 0.75 2f73G1 GLN 43 H -0.09 0.10 0.14 -0.55 8.47 8.08 2f73G1 GLN 43 HA -0.56 0.42 1.15 -0.75 4.36 4.61 2f73G1 GLN 43 HB2 -1.00 0.04 -0.09 -0.04 2.15 1.05 2f73G1 GLN 43 HB3 -0.17 -0.22 0.10 -0.04 2.02 1.69 2f73G1 GLN 43 HG2 -0.26 -0.10 -0.47 -0.04 2.40 1.53 2f73G1 GLN 43 HG3 -0.92 0.15 -0.23 -0.04 2.39 1.35 2f73G1 GLN 43 HE21 0.27 0.03 -0.06 -0.04 6.97 7.16 2f73G1 GLN 43 HE22 0.01 0.42 -0.01 -0.04 7.69 8.07 2f73G1 ASN 44 H -0.29 0.73 0.09 -0.55 8.53 8.50 2f73G1 ASN 44 HA -0.05 0.10 0.73 -0.75 4.76 4.79 2f73G1 ASN 44 HB2 0.04 0.02 0.11 -0.04 2.88 3.01 2f73G1 ASN 44 HB3 0.01 -0.02 0.10 -0.04 2.79 2.84 2f73G1 ASN 44 HD21 -0.01 -0.01 -0.00 -0.04 7.03 6.96 2f73G1 ASN 44 HD22 -0.02 -0.03 0.12 -0.04 7.74 7.77 2f73G1 GLY 45 H -0.04 0.19 0.02 -0.55 8.43 8.05 2f73G1 GLY 45 HA2 0.04 0.07 0.37 -0.51 4.01 3.98 2f73G1 GLY 45 HA3 0.03 0.04 0.56 -0.51 4.01 4.13 2f73G1 LYS 46 H 0.07 0.18 0.34 -0.55 8.42 8.45 2f73G1 LYS 46 HA 0.19 0.19 0.78 -0.75 4.32 4.73 2f73G1 LYS 46 HB2 0.11 0.01 0.15 -0.04 1.87 2.09 2f73G1 LYS 46 HB3 0.14 -0.04 0.14 -0.04 1.79 2.00 2f73G1 LYS 46 HG2 0.10 0.03 0.03 -0.04 1.46 1.58 2f73G1 LYS 46 HG3 0.12 -0.02 -0.11 -0.04 1.46 1.42 2f73G1 LYS 46 HD2 0.11 0.03 0.02 -0.04 1.69 1.81 2f73G1 LYS 46 HD3 0.11 -0.03 0.03 -0.04 1.68 1.74 2f73G1 LYS 46 HE2 0.08 -0.04 0.04 -0.04 2.99 3.03 2f73G1 LYS 46 HE3 0.09 0.09 0.03 -0.04 2.99 3.15 2f73G1 HIS 47 H 0.07 0.39 0.07 -0.55 8.41 8.39 2f73G1 HIS 47 HA 0.01 0.17 0.86 -0.75 4.63 4.92 2f73G1 HIS 47 HB2 -0.02 -0.03 0.13 -0.04 3.26 3.29 2f73G1 HIS 47 HB3 -0.08 0.04 0.19 -0.04 3.20 3.30 2f73G1 HIS 47 HD2 -0.07 -0.03 -0.10 -0.04 6.97 6.72 2f73G1 HIS 47 HE1 -0.02 -0.03 -0.02 -0.04 7.75 7.63 2f73G1 PHE 48 H -0.47 0.65 0.39 -0.55 8.34 8.35 2f73G1 PHE 48 HA -0.41 0.20 1.03 -0.75 4.62 4.68 2f73G1 PHE 48 HB2 -1.85 0.06 0.01 -0.04 3.15 1.33 2f73G1 PHE 48 HB3 -0.68 -0.02 -0.24 -0.04 3.06 2.07 2f73G1 PHE 48 HD2 -0.25 0.06 -0.29 -0.04 7.28 6.75 2f73G1 PHE 48 HE2 -0.25 0.01 -0.18 -0.04 7.38 6.91 2f73G1 PHE 48 HZ -0.07 0.03 -0.15 -0.04 7.32 7.09 2f73G1 LYS 49 H -0.19 0.49 0.25 -0.55 8.42 8.42 2f73G1 LYS 49 HA -0.07 0.28 1.03 -0.75 4.32 4.80 2f73G1 LYS 49 HB2 -0.15 -0.00 0.05 -0.04 1.87 1.73 2f73G1 LYS 49 HB3 -0.03 -0.06 0.12 -0.04 1.79 1.78 2f73G1 LYS 49 HG2 -0.00 -0.03 -0.01 -0.04 1.46 1.37 2f73G1 LYS 49 HG3 -0.03 0.15 0.14 -0.04 1.46 1.68 2f73G1 LYS 49 HD2 0.09 -0.00 -0.02 -0.04 1.69 1.71 2f73G1 LYS 49 HD3 0.08 -0.03 -0.08 -0.04 1.68 1.61 2f73G1 LYS 49 HE2 0.04 0.00 -0.04 -0.04 2.99 2.96 2f73G1 LYS 49 HE3 0.11 -0.02 -0.04 -0.04 2.99 3.01 2f73G1 PHE 50 H 0.05 0.59 0.28 -0.55 8.34 8.71 2f73G1 PHE 50 HA 0.03 0.44 0.96 -0.75 4.62 5.30 2f73G1 PHE 50 HB2 0.06 0.02 -0.07 -0.04 3.15 3.12 2f73G1 PHE 50 HB3 0.06 -0.05 -0.29 -0.04 3.06 2.74 2f73G1 PHE 50 HD2 0.04 0.03 -0.31 -0.04 7.28 6.99 2f73G1 PHE 50 HE2 0.18 0.01 -0.22 -0.04 7.38 7.32 2f73G1 PHE 50 HZ 0.07 -0.01 -0.16 -0.04 7.32 7.17 2f73G1 THR 51 H 0.13 0.53 0.26 -0.55 8.28 8.65 2f73G1 THR 51 HA -0.15 0.30 1.02 -0.75 4.39 4.81 2f73G1 THR 51 HB 0.02 -0.06 0.21 -0.04 4.32 4.46 2f73G1 THR 51 HG23 0.00 0.02 -0.17 -0.04 1.22 1.03 2f73G1 ILE 52 H -0.02 0.36 0.17 -0.55 8.25 8.21 2f73G1 ILE 52 HA 0.10 0.14 0.99 -0.75 4.18 4.65 2f73G1 ILE 52 HB 0.12 0.01 -0.22 -0.04 1.89 1.76 2f73G1 ILE 52 HG12 0.39 0.02 -0.20 -0.04 1.49 1.66 2f73G1 ILE 52 HG13 0.32 -0.14 -0.43 -0.04 1.21 0.93 2f73G1 ILE 52 HG23 0.10 0.03 -0.02 -0.04 0.93 0.99 2f73G1 ILE 52 HD13 0.06 0.03 -0.12 -0.04 0.88 0.81 2f73G1 THR 53 H 0.06 0.21 0.07 -0.55 8.28 8.07 2f73G1 THR 53 HA 0.04 0.46 0.91 -0.75 4.39 5.06 2f73G1 THR 53 HB 0.03 0.10 0.02 -0.04 4.32 4.43 2f73G1 THR 53 HG23 0.03 -0.00 -0.04 -0.04 1.22 1.17 2f73G1 ALA 54 H 0.07 0.58 -0.03 -0.55 8.40 8.48 2f73G1 ALA 54 HA 0.10 0.12 0.68 -0.75 4.34 4.48 2f73G1 ALA 54 HB3 0.18 -0.01 -0.03 -0.04 1.41 1.52 2f73G1 GLY 55 H -0.03 0.24 0.10 -0.55 8.43 8.19 2f73G1 GLY 55 HA2 0.00 0.23 0.53 -0.51 4.01 4.26 2f73G1 GLY 55 HA3 0.16 0.05 0.62 -0.51 4.01 4.33 2f73G1 SER 56 H 0.09 0.19 0.23 -0.55 8.46 8.43 2f73G1 SER 56 HA 0.04 0.11 0.73 -0.75 4.49 4.61 2f73G1 SER 56 HB2 0.04 -0.07 0.23 -0.04 3.95 4.11 2f73G1 SER 56 HB3 0.04 0.03 0.20 -0.04 3.93 4.16 2f73G1 LYS 57 H 0.07 0.23 -0.43 -0.55 8.42 7.73 2f73G1 LYS 57 HA 0.03 0.21 0.96 -0.75 4.32 4.77 2f73G1 LYS 57 HB2 0.07 0.06 0.06 -0.04 1.87 2.02 2f73G1 LYS 57 HB3 0.05 -0.04 -0.12 -0.04 1.79 1.64 2f73G1 LYS 57 HG2 0.03 -0.02 -0.01 -0.04 1.46 1.41 2f73G1 LYS 57 HG3 0.04 0.06 -0.06 -0.04 1.46 1.45 2f73G1 LYS 57 HD2 0.06 0.04 -0.01 -0.04 1.69 1.74 2f73G1 LYS 57 HD3 0.04 0.01 -0.06 -0.04 1.68 1.63 2f73G1 LYS 57 HE2 0.04 -0.03 -0.08 -0.04 2.99 2.88 2f73G1 LYS 57 HE3 0.04 0.01 -0.04 -0.04 2.99 2.97 2f73G1 VAL 58 H 0.02 0.19 0.04 -0.55 8.24 7.94 2f73G1 VAL 58 HA 0.02 0.42 1.12 -0.75 4.13 4.93 2f73G1 VAL 58 HB 0.02 -0.01 -0.06 -0.04 2.12 2.03 2f73G1 VAL 58 HG13 0.01 -0.02 0.08 -0.04 0.97 1.00 2f73G1 VAL 58 HG23 -0.00 0.00 -0.14 -0.04 0.95 0.77 2f73G1 ILE 59 H 0.01 0.19 0.03 -0.55 8.25 7.93 2f73G1 ILE 59 HA -0.03 0.11 0.62 -0.75 4.18 4.12 2f73G1 ILE 59 HB -0.05 -0.05 -0.07 -0.04 1.89 1.68 2f73G1 ILE 59 HG12 0.03 0.08 -0.14 -0.04 1.49 1.41 2f73G1 ILE 59 HG13 0.02 -0.07 -0.14 -0.04 1.21 0.97 2f73G1 ILE 59 HG23 -0.05 0.05 -0.03 -0.04 0.93 0.85 2f73G1 ILE 59 HD13 0.08 0.01 -0.12 -0.04 0.88 0.81 2f73G1 GLN 60 H -0.09 0.19 0.19 -0.55 8.47 8.22 2f73G1 GLN 60 HA -0.24 0.26 1.15 -0.75 4.36 4.77 2f73G1 GLN 60 HB2 -0.07 -0.04 0.14 -0.04 2.15 2.14 2f73G1 GLN 60 HB3 -0.09 0.01 -0.01 -0.04 2.02 1.88 2f73G1 GLN 60 HG2 -0.08 0.04 0.06 -0.04 2.40 2.37 2f73G1 GLN 60 HG3 -0.06 0.04 -0.15 -0.04 2.39 2.18 2f73G1 GLN 60 HE21 -0.02 -0.03 -0.04 -0.04 6.97 6.84 2f73G1 GLN 60 HE22 -0.03 0.01 -0.06 -0.04 7.69 7.57 2f73G1 ASN 61 H -0.65 0.68 0.35 -0.55 8.53 8.36 2f73G1 ASN 61 HA -0.12 0.22 0.94 -0.75 4.76 5.06 2f73G1 ASN 61 HB2 -0.91 -0.02 -0.01 -0.04 2.88 1.89 2f73G1 ASN 61 HB3 0.20 0.07 0.11 -0.04 2.79 3.13 2f73G1 ASN 61 HD21 -0.05 -0.09 0.05 -0.04 7.03 6.90 2f73G1 ASN 61 HD22 -0.14 0.03 -0.15 -0.04 7.74 7.43 2f73G1 GLU 62 H 0.11 0.31 0.31 -0.55 8.60 8.79 2f73G1 GLU 62 HA -0.02 0.38 0.92 -0.75 4.29 4.81 2f73G1 GLU 62 HB2 0.07 -0.03 0.05 -0.04 2.09 2.14 2f73G1 GLU 62 HB3 0.14 -0.02 0.04 -0.04 1.99 2.10 2f73G1 GLU 62 HG2 0.05 0.05 0.12 -0.04 2.34 2.53 2f73G1 GLU 62 HG3 0.02 0.02 -0.16 -0.04 2.34 2.18 2f73G1 PHE 63 H -0.10 0.34 0.29 -0.55 8.34 8.32 2f73G1 PHE 63 HA 0.10 0.03 0.39 -0.75 4.62 4.39 2f73G1 PHE 63 HB2 0.03 0.03 0.07 -0.04 3.15 3.25 2f73G1 PHE 63 HB3 0.07 0.31 0.16 -0.04 3.06 3.56 2f73G1 PHE 63 HD2 0.10 0.03 -0.54 -0.04 7.28 6.83 2f73G1 PHE 63 HE2 -0.48 0.00 -0.23 -0.04 7.38 6.63 2f73G1 PHE 63 HZ -0.87 -0.00 -0.20 -0.04 7.32 6.21 2f73G1 THR 64 H 0.29 0.27 0.14 -0.55 8.28 8.43 2f73G1 THR 64 HA 0.24 0.28 0.96 -0.75 4.39 5.12 2f73G1 THR 64 HB 0.14 -0.02 0.09 -0.04 4.32 4.50 2f73G1 THR 64 HG23 0.13 0.04 -0.13 -0.04 1.22 1.21 2f73G1 VAL 65 H 0.26 0.46 0.25 -0.55 8.24 8.66 2f73G1 VAL 65 HA 0.09 0.21 0.47 -0.75 4.13 4.15 2f73G1 VAL 65 HB 0.07 -0.05 0.08 -0.04 2.12 2.18 2f73G1 VAL 65 HG13 -0.06 0.03 -0.06 -0.04 0.97 0.84 2f73G1 VAL 65 HG23 0.18 0.06 0.03 -0.04 0.95 1.19 2f73G1 GLY 66 H -0.02 0.46 0.29 -0.55 8.43 8.62 2f73G1 GLY 66 HA2 -0.02 -0.04 0.40 -0.51 4.01 3.84 2f73G1 GLY 66 HA3 0.01 0.12 0.71 -0.51 4.01 4.34 2f73G1 GLU 67 H 0.06 0.53 -0.30 -0.55 8.60 8.34 2f73G1 GLU 67 HA 0.03 0.14 1.00 -0.75 4.29 4.71 2f73G1 GLU 67 HB2 0.09 0.10 0.07 -0.04 2.09 2.31 2f73G1 GLU 67 HB3 0.06 0.07 0.04 -0.04 1.99 2.12 2f73G1 GLU 67 HG2 0.04 -0.01 0.01 -0.04 2.34 2.33 2f73G1 GLU 67 HG3 0.05 0.02 -0.23 -0.04 2.34 2.14 2f73G1 GLU 68 H 0.03 0.10 0.17 -0.55 8.60 8.35 2f73G1 GLU 68 HA 0.01 0.18 0.41 -0.75 4.29 4.14 2f73G1 GLU 68 HB2 0.02 -0.03 0.13 -0.04 2.09 2.17 2f73G1 GLU 68 HB3 0.02 0.02 -0.05 -0.04 1.99 1.94 2f73G1 GLU 68 HG2 0.00 -0.01 -0.13 -0.04 2.34 2.16 2f73G1 GLU 68 HG3 0.00 -0.02 -0.11 -0.04 2.34 2.17 2f73G1 CYS 69 H 0.01 0.45 0.48 -0.55 8.50 8.89 2f73G1 CYS 69 HA 0.06 0.13 0.80 -0.75 4.58 4.81 2f73G1 CYS 69 HB2 0.13 0.16 0.17 -0.04 2.97 3.39 2f73G1 CYS 69 HB3 0.16 -0.06 0.05 -0.04 2.97 3.08 2f73G1 GLU 70 H 0.04 0.29 0.24 -0.55 8.60 8.62 2f73G1 GLU 70 HA -0.02 0.16 0.66 -0.75 4.29 4.33 2f73G1 GLU 70 HB2 0.01 -0.03 -0.03 -0.04 2.09 2.00 2f73G1 GLU 70 HB3 0.01 -0.00 0.14 -0.04 1.99 2.10 2f73G1 GLU 70 HG2 -0.01 0.08 -0.06 -0.04 2.34 2.30 2f73G1 GLU 70 HG3 -0.01 -0.06 -0.13 -0.04 2.34 2.10 2f73G1 LEU 71 H -0.07 0.87 0.38 -0.55 8.37 9.00 2f73G1 LEU 71 HA 0.01 0.21 1.00 -0.75 4.35 4.81 2f73G1 LEU 71 HB2 -0.22 -0.04 -0.10 -0.04 1.64 1.24 2f73G1 LEU 71 HB3 -0.04 -0.04 0.03 -0.04 1.64 1.54 2f73G1 LEU 71 HG -0.11 0.03 -0.19 -0.04 1.64 1.33 2f73G1 LEU 71 HD13 -0.09 -0.01 -0.18 -0.04 0.93 0.61 2f73G1 LEU 71 HD23 0.09 -0.03 -0.47 -0.04 0.89 0.44 2f73G1 GLU 72 H -0.04 0.21 0.06 -0.55 8.60 8.28 2f73G1 GLU 72 HA -0.05 0.29 1.02 -0.75 4.29 4.80 2f73G1 GLU 72 HB2 -0.04 0.02 -0.08 -0.04 2.09 1.96 2f73G1 GLU 72 HB3 -0.04 -0.06 0.05 -0.04 1.99 1.90 2f73G1 GLU 72 HG2 -0.01 0.04 -0.21 -0.04 2.34 2.11 2f73G1 GLU 72 HG3 -0.02 0.06 -0.15 -0.04 2.34 2.19 2f73G1 THR 73 H -0.06 0.87 0.10 -0.55 8.28 8.64 2f73G1 THR 73 HA -0.03 0.09 0.41 -0.75 4.39 4.12 2f73G1 THR 73 HB 0.06 -0.32 -0.07 -0.04 4.32 3.96 2f73G1 THR 73 HG23 0.17 0.01 -0.02 -0.04 1.22 1.33 2f73G1 MET 74 H 0.18 0.20 0.08 -0.55 8.47 8.39 2f73G1 MET 74 HA 0.11 0.09 0.27 -0.75 4.52 4.24 2f73G1 MET 74 HB2 0.20 0.01 -0.06 -0.04 2.15 2.26 2f73G1 MET 74 HB3 0.19 0.05 0.04 -0.04 2.03 2.28 2f73G1 MET 74 HG2 0.23 0.04 -0.03 -0.04 2.63 2.83 2f73G1 MET 74 HG3 0.28 -0.07 0.05 -0.04 2.56 2.77 2f73G1 MET 74 HE3 0.33 0.01 -0.08 -0.04 2.10 2.32 2f73G1 THR 75 H 0.08 -0.13 -0.93 -0.55 8.28 6.74 2f73G1 THR 75 HA 0.04 0.22 0.55 -0.75 4.39 4.44 2f73G1 THR 75 HB 0.02 0.09 0.09 -0.04 4.32 4.48 2f73G1 THR 75 HG23 0.03 0.02 -0.12 -0.04 1.22 1.12 2f73G1 GLY 76 H 0.03 0.72 -0.33 -0.55 8.43 8.30 2f73G1 GLY 76 HA2 0.01 0.01 0.24 -0.51 4.01 3.76 2f73G1 GLY 76 HA3 0.01 0.10 0.46 -0.51 4.01 4.06 2f73G1 GLU 77 H 0.01 -0.06 -0.99 -0.55 8.60 7.01 2f73G1 GLU 77 HA -0.00 0.09 0.46 -0.75 4.29 4.08 2f73G1 GLU 77 HB2 0.01 0.06 -0.01 -0.04 2.09 2.10 2f73G1 GLU 77 HB3 0.00 -0.09 -0.07 -0.04 1.99 1.79 2f73G1 GLU 77 HG2 -0.00 0.06 0.04 -0.04 2.34 2.40 2f73G1 GLU 77 HG3 0.00 0.02 0.02 -0.04 2.34 2.34 2f73G1 LYS 78 H -0.01 0.13 0.23 -0.55 8.42 8.22 2f73G1 LYS 78 HA -0.04 0.33 0.94 -0.75 4.32 4.79 2f73G1 LYS 78 HB2 -0.01 -0.05 0.19 -0.04 1.87 1.95 2f73G1 LYS 78 HB3 -0.02 -0.02 0.04 -0.04 1.79 1.75 2f73G1 LYS 78 HG2 -0.02 0.06 -0.03 -0.04 1.46 1.43 2f73G1 LYS 78 HG3 -0.01 0.04 0.06 -0.04 1.46 1.50 2f73G1 LYS 78 HD2 -0.01 -0.03 0.01 -0.04 1.69 1.62 2f73G1 LYS 78 HD3 -0.01 -0.04 -0.02 -0.04 1.68 1.58 2f73G1 LYS 78 HE2 -0.02 0.02 -0.10 -0.04 2.99 2.85 2f73G1 LYS 78 HE3 -0.01 -0.02 -0.03 -0.04 2.99 2.89 2f73G1 VAL 79 H -0.08 0.54 0.28 -0.55 8.24 8.44 2f73G1 VAL 79 HA -0.03 0.17 0.85 -0.75 4.13 4.36 2f73G1 VAL 79 HB -0.04 0.01 0.01 -0.04 2.12 2.05 2f73G1 VAL 79 HG13 -0.08 0.05 -0.40 -0.04 0.97 0.50 2f73G1 VAL 79 HG23 -0.36 -0.02 -0.31 -0.04 0.95 0.22 2f73G1 LYS 80 H -0.02 0.17 0.21 -0.55 8.42 8.23 2f73G1 LYS 80 HA -0.02 0.70 1.26 -0.75 4.32 5.50 2f73G1 LYS 80 HB2 0.00 -0.05 0.17 -0.04 1.87 1.95 2f73G1 LYS 80 HB3 0.00 0.03 0.08 -0.04 1.79 1.86 2f73G1 LYS 80 HG2 -0.00 0.03 -0.09 -0.04 1.46 1.36 2f73G1 LYS 80 HG3 -0.01 -0.16 -0.09 -0.04 1.46 1.16 2f73G1 LYS 80 HD2 -0.00 0.00 0.00 -0.04 1.69 1.66 2f73G1 LYS 80 HD3 0.00 -0.01 0.04 -0.04 1.68 1.67 2f73G1 LYS 80 HE2 0.00 -0.00 -0.02 -0.04 2.99 2.93 2f73G1 LYS 80 HE3 0.01 0.00 -0.03 -0.04 2.99 2.93 2f73G1 THR 81 H -0.02 0.42 0.40 -0.55 8.28 8.54 2f73G1 THR 81 HA 0.00 0.09 0.54 -0.75 4.39 4.28 2f73G1 THR 81 HB 0.05 0.03 -0.09 -0.04 4.32 4.28 2f73G1 THR 81 HG23 -0.01 -0.02 -0.33 -0.04 1.22 0.83 2f73G1 VAL 82 H -0.03 0.20 0.19 -0.55 8.24 8.06 2f73G1 VAL 82 HA -0.07 0.36 1.04 -0.75 4.13 4.71 2f73G1 VAL 82 HB -0.03 -0.05 -0.01 -0.04 2.12 1.99 2f73G1 VAL 82 HG13 -0.04 0.06 -0.38 -0.04 0.97 0.58 2f73G1 VAL 82 HG23 -0.01 0.00 -0.59 -0.04 0.95 0.31 2f73G1 VAL 83 H -0.19 0.30 0.14 -0.55 8.24 7.94 2f73G1 VAL 83 HA -0.26 0.25 0.85 -0.75 4.13 4.21 2f73G1 VAL 83 HB -0.61 -0.04 -0.00 -0.04 2.12 1.43 2f73G1 VAL 83 HG13 -0.47 0.01 -0.25 -0.04 0.97 0.22 2f73G1 VAL 83 HG23 -1.06 -0.01 -0.21 -0.04 0.95 -0.37 2f73G1 GLN 84 H -0.16 0.87 0.40 -0.55 8.47 9.03 2f73G1 GLN 84 HA -0.10 0.08 0.91 -0.75 4.36 4.49 2f73G1 GLN 84 HB2 -0.09 0.04 0.06 -0.04 2.15 2.12 2f73G1 GLN 84 HB3 -0.09 -0.02 0.11 -0.04 2.02 1.98 2f73G1 GLN 84 HG2 -0.08 -0.04 -0.37 -0.04 2.40 1.87 2f73G1 GLN 84 HG3 -0.06 0.01 -0.06 -0.04 2.39 2.24 2f73G1 GLN 84 HE21 -0.03 0.03 0.02 -0.04 6.97 6.94 2f73G1 GLN 84 HE22 -0.04 -0.00 -0.04 -0.04 7.69 7.57 2f73G1 LEU 85 H -0.14 0.21 0.17 -0.55 8.37 8.07 2f73G1 LEU 85 HA -0.09 0.37 1.14 -0.75 4.35 5.01 2f73G1 LEU 85 HB2 -0.08 -0.01 -0.12 -0.04 1.64 1.40 2f73G1 LEU 85 HB3 -0.17 -0.06 0.07 -0.04 1.64 1.44 2f73G1 LEU 85 HG -0.01 0.14 -0.32 -0.04 1.64 1.41 2f73G1 LEU 85 HD13 0.09 -0.01 -0.19 -0.04 0.93 0.78 2f73G1 LEU 85 HD23 -0.01 -0.01 -0.12 -0.04 0.89 0.71 2f73G1 GLU 86 H -0.04 0.57 0.27 -0.55 8.60 8.85 2f73G1 GLU 86 HA -0.01 0.13 0.84 -0.75 4.29 4.49 2f73G1 GLU 86 HB2 -0.02 -0.02 0.05 -0.04 2.09 2.06 2f73G1 GLU 86 HB3 -0.00 -0.02 0.00 -0.04 1.99 1.93 2f73G1 GLU 86 HG2 -0.02 0.05 -0.04 -0.04 2.34 2.28 2f73G1 GLU 86 HG3 -0.04 -0.04 -0.18 -0.04 2.34 2.04 2f73G1 GLY 87 H 0.04 0.12 0.15 -0.55 8.43 8.19 2f73G1 GLY 87 HA2 0.06 0.07 0.36 -0.51 4.01 3.99 2f73G1 GLY 87 HA3 0.04 -0.04 0.44 -0.51 4.01 3.94 2f73G1 ASP 88 H 0.05 0.05 0.27 -0.55 8.40 8.22 2f73G1 ASP 88 HA 0.11 0.31 0.95 -0.75 4.63 5.25 2f73G1 ASP 88 HB2 0.06 -0.09 0.21 -0.04 2.71 2.84 2f73G1 ASP 88 HB3 0.07 0.07 0.06 -0.04 2.70 2.85 2f73G1 ASN 89 H 0.06 0.05 0.17 -0.55 8.53 8.26 2f73G1 ASN 89 HA 0.09 0.22 0.91 -0.75 4.76 5.23 2f73G1 ASN 89 HB2 -0.01 0.12 0.40 -0.04 2.88 3.34 2f73G1 ASN 89 HB3 -0.03 -0.02 0.02 -0.04 2.79 2.72 2f73G1 ASN 89 HD21 0.00 -0.05 0.00 -0.04 7.03 6.94 2f73G1 ASN 89 HD22 -0.01 0.27 0.11 -0.04 7.74 8.08 2f73G1 LYS 90 H 0.10 0.35 0.03 -0.55 8.42 8.34 2f73G1 LYS 90 HA 0.06 0.39 1.09 -0.75 4.32 5.11 2f73G1 LYS 90 HB2 0.02 0.03 -0.01 -0.04 1.87 1.87 2f73G1 LYS 90 HB3 -0.02 -0.08 -0.06 -0.04 1.79 1.59 2f73G1 LYS 90 HG2 -0.02 0.01 -0.13 -0.04 1.46 1.27 2f73G1 LYS 90 HG3 0.01 0.11 -0.10 -0.04 1.46 1.44 2f73G1 LYS 90 HD2 -0.01 -0.04 -0.11 -0.04 1.69 1.49 2f73G1 LYS 90 HD3 -0.01 0.02 -0.10 -0.04 1.68 1.54 2f73G1 LYS 90 HE2 0.00 0.01 -0.09 -0.04 2.99 2.87 2f73G1 LYS 90 HE3 0.01 0.03 -0.15 -0.04 2.99 2.84 2f73G1 LEU 91 H -0.09 0.61 0.23 -0.55 8.37 8.58 2f73G1 LEU 91 HA -0.20 0.33 0.96 -0.75 4.35 4.68 2f73G1 LEU 91 HB2 -0.35 -0.08 0.17 -0.04 1.64 1.33 2f73G1 LEU 91 HB3 -0.44 0.01 -0.03 -0.04 1.64 1.15 2f73G1 LEU 91 HG -0.53 -0.02 -0.19 -0.04 1.64 0.86 2f73G1 LEU 91 HD13 -1.17 -0.01 -0.14 -0.04 0.93 -0.43 2f73G1 LEU 91 HD23 -0.47 0.03 -0.14 -0.04 0.89 0.26 2f73G1 VAL 92 H -0.15 0.45 0.16 -0.55 8.24 8.15 2f73G1 VAL 92 HA -0.13 0.34 1.21 -0.75 4.13 4.80 2f73G1 VAL 92 HB -0.09 -0.07 -0.03 -0.04 2.12 1.89 2f73G1 VAL 92 HG13 -0.07 0.04 0.04 -0.04 0.97 0.94 2f73G1 VAL 92 HG23 -0.07 -0.00 -0.26 -0.04 0.95 0.58 2f73G1 THR 93 H -0.10 0.66 0.38 -0.55 8.28 8.67 2f73G1 THR 93 HA -0.08 0.16 0.58 -0.75 4.39 4.30 2f73G1 THR 93 HB -0.20 -0.01 -0.23 -0.04 4.32 3.84 2f73G1 THR 93 HG23 0.01 -0.01 -0.31 -0.04 1.22 0.87 2f73G1 THR 94 H 0.02 0.31 0.22 -0.55 8.28 8.28 2f73G1 THR 94 HA -0.13 0.31 0.96 -0.75 4.39 4.78 2f73G1 THR 94 HB -0.02 -0.04 0.03 -0.04 4.32 4.25 2f73G1 THR 94 HG23 -0.05 0.00 -0.23 -0.04 1.22 0.90 2f73G1 PHE 95 H -0.31 0.72 0.32 -0.55 8.34 8.52 2f73G1 PHE 95 HA -0.01 0.09 0.61 -0.75 4.62 4.56 2f73G1 PHE 95 HB2 0.00 0.00 -0.02 -0.04 3.15 3.10 2f73G1 PHE 95 HB3 -0.02 0.09 -0.21 -0.04 3.06 2.88 2f73G1 PHE 95 HD2 -0.00 0.00 -0.34 -0.04 7.28 6.89 2f73G1 PHE 95 HE2 0.04 -0.00 -0.17 -0.04 7.38 7.21 2f73G1 PHE 95 HZ 0.10 -0.01 -0.14 -0.04 7.32 7.23 2f73G1 LYS 96 H 0.15 0.19 0.12 -0.55 8.42 8.33 2f73G1 LYS 96 HA 0.05 0.04 0.35 -0.75 4.32 4.01 2f73G1 LYS 96 HB2 0.20 0.05 -0.12 -0.04 1.87 1.96 2f73G1 LYS 96 HB3 0.07 0.06 0.17 -0.04 1.79 2.05 2f73G1 LYS 96 HG2 0.10 0.01 0.12 -0.04 1.46 1.65 2f73G1 LYS 96 HG3 0.23 -0.05 -0.06 -0.04 1.46 1.54 2f73G1 LYS 96 HD2 0.06 0.04 0.03 -0.04 1.69 1.78 2f73G1 LYS 96 HD3 0.06 0.02 0.02 -0.04 1.68 1.74 2f73G1 LYS 96 HE2 0.07 0.01 -0.09 -0.04 2.99 2.93 2f73G1 LYS 96 HE3 0.16 -0.02 -0.07 -0.04 2.99 3.01 2f73G1 ASN 97 H -0.02 0.01 -0.32 -0.55 8.53 7.66 2f73G1 ASN 97 HA -0.04 -0.02 0.24 -0.75 4.76 4.19 2f73G1 ASN 97 HB2 -0.02 0.13 -0.46 -0.04 2.88 2.49 2f73G1 ASN 97 HB3 -0.03 -0.00 0.29 -0.04 2.79 3.01 2f73G1 ASN 97 HD21 -0.01 -0.01 -0.02 -0.04 7.03 6.95 2f73G1 ASN 97 HD22 -0.01 0.02 -0.10 -0.04 7.74 7.61 2f73G1 ILE 98 H -0.20 0.54 -0.06 -0.55 8.25 7.98 2f73G1 ILE 98 HA -0.09 0.31 0.98 -0.75 4.18 4.63 2f73G1 ILE 98 HB -0.81 -0.00 0.05 -0.04 1.89 1.08 2f73G1 ILE 98 HG12 0.05 -0.02 -0.15 -0.04 1.49 1.33 2f73G1 ILE 98 HG13 -0.09 0.06 -0.53 -0.04 1.21 0.60 2f73G1 ILE 98 HG23 -0.10 -0.02 -0.36 -0.04 0.93 0.41 2f73G1 ILE 98 HD13 0.01 -0.02 -0.12 -0.04 0.88 0.71 2f73G1 LYS 99 H -0.09 0.52 0.22 -0.55 8.42 8.51 2f73G1 LYS 99 HA -0.13 0.18 1.06 -0.75 4.32 4.67 2f73G1 LYS 99 HB2 -0.07 -0.03 0.05 -0.04 1.87 1.78 2f73G1 LYS 99 HB3 -0.06 0.03 0.22 -0.04 1.79 1.94 2f73G1 LYS 99 HG2 -0.06 -0.06 -0.03 -0.04 1.46 1.27 2f73G1 LYS 99 HG3 -0.08 0.15 -0.35 -0.04 1.46 1.13 2f73G1 LYS 99 HD2 -0.05 -0.01 -0.02 -0.04 1.69 1.56 2f73G1 LYS 99 HD3 -0.04 -0.04 -0.04 -0.04 1.68 1.52 2f73G1 LYS 99 HE2 -0.07 0.13 -0.11 -0.04 2.99 2.90 2f73G1 LYS 99 HE3 -0.05 -0.04 -0.06 -0.04 2.99 2.80 2f73G1 SER 100 H -0.14 0.39 0.22 -0.55 8.46 8.39 2f73G1 SER 100 HA -0.12 0.34 1.16 -0.75 4.49 5.11 2f73G1 SER 100 HB2 -0.09 -0.05 -0.11 -0.04 3.95 3.67 2f73G1 SER 100 HB3 -0.05 -0.04 -0.04 -0.04 3.93 3.75 2f73G1 VAL 101 H -0.12 0.49 0.26 -0.55 8.24 8.33 2f73G1 VAL 101 HA -0.11 0.25 0.81 -0.75 4.13 4.33 2f73G1 VAL 101 HB -0.07 -0.02 0.10 -0.04 2.12 2.08 2f73G1 VAL 101 HG13 -0.06 -0.02 -0.20 -0.04 0.97 0.66 2f73G1 VAL 101 HG23 -0.07 -0.02 -0.28 -0.04 0.95 0.54 2f73G1 THR 102 H -0.13 0.56 0.23 -0.55 8.28 8.39 2f73G1 THR 102 HA -0.10 0.28 1.02 -0.75 4.39 4.84 2f73G1 THR 102 HB -0.20 -0.05 0.16 -0.04 4.32 4.19 2f73G1 THR 102 HG23 -0.08 -0.00 -0.29 -0.04 1.22 0.81 2f73G1 GLU 103 H -0.04 0.69 0.32 -0.55 8.60 9.03 2f73G1 GLU 103 HA 0.07 0.45 1.26 -0.75 4.29 5.31 2f73G1 GLU 103 HB2 -0.01 -0.07 -0.04 -0.04 2.09 1.93 2f73G1 GLU 103 HB3 -0.02 -0.03 0.11 -0.04 1.99 2.01 2f73G1 GLU 103 HG2 -0.01 -0.00 -0.38 -0.04 2.34 1.91 2f73G1 GLU 103 HG3 0.01 0.16 0.07 -0.04 2.34 2.54 2f73G1 LEU 104 H 0.05 0.44 0.31 -0.55 8.37 8.63 2f73G1 LEU 104 HA -0.05 0.22 0.88 -0.75 4.35 4.65 2f73G1 LEU 104 HB2 -0.28 -0.04 -0.01 -0.04 1.64 1.28 2f73G1 LEU 104 HB3 -0.31 -0.06 0.03 -0.04 1.64 1.26 2f73G1 LEU 104 HG -0.19 -0.04 -0.16 -0.04 1.64 1.22 2f73G1 LEU 104 HD13 -0.55 -0.01 -0.14 -0.04 0.93 0.18 2f73G1 LEU 104 HD23 -0.03 0.05 -0.33 -0.04 0.89 0.53 2f73G1 ASN 105 H -0.03 0.88 0.15 -0.55 8.53 8.98 2f73G1 ASN 105 HA -0.03 0.07 0.77 -0.75 4.76 4.82 2f73G1 ASN 105 HB2 -0.01 0.03 0.12 -0.04 2.88 2.97 2f73G1 ASN 105 HB3 -0.01 -0.05 0.06 -0.04 2.79 2.75 2f73G1 ASN 105 HD21 -0.01 -0.03 -0.04 -0.04 7.03 6.91 2f73G1 ASN 105 HD22 -0.01 -0.04 0.05 -0.04 7.74 7.69 2f73G1 GLY 106 H -0.04 0.17 0.04 -0.55 8.43 8.06 2f73G1 GLY 106 HA2 -0.02 0.05 0.37 -0.51 4.01 3.90 2f73G1 GLY 106 HA3 -0.01 0.03 0.60 -0.51 4.01 4.13 2f73G1 ASP 107 H 0.01 0.15 0.29 -0.55 8.40 8.31 2f73G1 ASP 107 HA 0.06 0.24 0.82 -0.75 4.63 5.00 2f73G1 ASP 107 HB2 0.02 -0.02 0.16 -0.04 2.71 2.82 2f73G1 ASP 107 HB3 0.03 -0.06 0.23 -0.04 2.70 2.86 2f73G1 ILE 108 H 0.02 0.48 -0.07 -0.55 8.25 8.14 2f73G1 ILE 108 HA 0.07 0.30 1.21 -0.75 4.18 5.00 2f73G1 ILE 108 HB 0.02 -0.07 0.10 -0.04 1.89 1.90 2f73G1 ILE 108 HG12 -0.01 0.03 -0.30 -0.04 1.49 1.17 2f73G1 ILE 108 HG13 0.01 0.13 0.14 -0.04 1.21 1.46 2f73G1 ILE 108 HG23 -0.00 0.12 0.16 -0.04 0.93 1.17 2f73G1 ILE 108 HD13 -0.00 -0.04 -0.02 -0.04 0.88 0.78 2f73G1 ILE 109 H 0.01 0.65 0.35 -0.55 8.25 8.70 2f73G1 ILE 109 HA -0.08 0.19 0.91 -0.75 4.18 4.45 2f73G1 ILE 109 HB -0.55 0.04 -0.12 -0.04 1.89 1.22 2f73G1 ILE 109 HG12 -0.15 -0.06 -0.20 -0.04 1.49 1.04 2f73G1 ILE 109 HG13 -0.11 0.01 -0.16 -0.04 1.21 0.91 2f73G1 ILE 109 HG23 -0.24 -0.02 -0.20 -0.04 0.93 0.42 2f73G1 ILE 109 HD13 -0.56 0.01 -0.18 -0.04 0.88 0.10 2f73G1 THR 110 H -0.06 0.54 0.22 -0.55 8.28 8.44 2f73G1 THR 110 HA -0.08 0.26 1.05 -0.75 4.39 4.87 2f73G1 THR 110 HB -0.04 0.10 0.13 -0.04 4.32 4.46 2f73G1 THR 110 HG23 -0.06 -0.03 -0.20 -0.04 1.22 0.89 2f73G1 ASN 111 H -0.14 0.55 0.21 -0.55 8.53 8.60 2f73G1 ASN 111 HA -0.14 0.24 1.02 -0.75 4.76 5.13 2f73G1 ASN 111 HB2 -0.15 -0.03 -0.04 -0.04 2.88 2.63 2f73G1 ASN 111 HB3 -0.20 0.04 0.15 -0.04 2.79 2.75 2f73G1 ASN 111 HD21 -0.10 -0.03 -0.19 -0.04 7.03 6.68 2f73G1 ASN 111 HD22 -0.12 -0.00 -0.14 -0.04 7.74 7.43 2f73G1 THR 112 H -0.13 0.75 0.35 -0.55 8.28 8.70 2f73G1 THR 112 HA -0.20 0.23 1.05 -0.75 4.39 4.72 2f73G1 THR 112 HB -0.09 0.02 0.14 -0.04 4.32 4.36 2f73G1 THR 112 HG23 -0.07 -0.02 -0.30 -0.04 1.22 0.79 2f73G1 MET 113 H -0.25 0.63 0.11 -0.55 8.47 8.40 2f73G1 MET 113 HA -0.14 0.23 0.92 -0.75 4.52 4.78 2f73G1 MET 113 HB2 -0.48 0.10 0.10 -0.04 2.15 1.83 2f73G1 MET 113 HB3 -0.40 -0.02 -0.05 -0.04 2.03 1.51 2f73G1 MET 113 HG2 -0.12 -0.00 -0.16 -0.04 2.63 2.32 2f73G1 MET 113 HG3 -0.16 -0.03 -0.25 -0.04 2.56 2.08 2f73G1 MET 113 HE3 -0.11 0.01 -0.12 -0.04 2.10 1.84 2f73G1 THR 114 H -0.05 0.56 0.16 -0.55 8.28 8.40 2f73G1 THR 114 HA 0.07 0.27 1.11 -0.75 4.39 5.09 2f73G1 THR 114 HB 0.02 0.08 -0.07 -0.04 4.32 4.31 2f73G1 THR 114 HG23 -0.02 -0.01 -0.14 -0.04 1.22 1.00 2f73G1 LEU 115 H 0.19 0.48 0.18 -0.55 8.37 8.68 2f73G1 LEU 115 HA 0.04 0.28 1.05 -0.75 4.35 4.97 2f73G1 LEU 115 HB2 0.31 -0.05 -0.09 -0.04 1.64 1.77 2f73G1 LEU 115 HB3 0.07 -0.05 0.23 -0.04 1.64 1.84 2f73G1 LEU 115 HG -0.05 0.02 -0.05 -0.04 1.64 1.52 2f73G1 LEU 115 HD13 -0.25 -0.01 0.04 -0.04 0.93 0.67 2f73G1 LEU 115 HD23 -0.03 0.02 -0.11 -0.04 0.89 0.73 2f73G1 GLY 116 H 0.00 0.26 0.10 -0.55 8.43 8.24 2f73G1 GLY 116 HA2 -0.00 0.05 0.38 -0.51 4.01 3.92 2f73G1 GLY 116 HA3 -0.00 0.07 0.73 -0.51 4.01 4.29 2f73G1 ASP 117 H 0.01 0.19 0.22 -0.55 8.40 8.27 2f73G1 ASP 117 HA 0.01 0.19 0.71 -0.75 4.63 4.79 2f73G1 ASP 117 HB2 0.00 -0.02 0.10 -0.04 2.71 2.75 2f73G1 ASP 117 HB3 0.01 -0.01 0.04 -0.04 2.70 2.71 2f73G1 ILE 118 H 0.05 0.31 -0.18 -0.55 8.25 7.88 2f73G1 ILE 118 HA 0.06 0.13 0.76 -0.75 4.18 4.37 2f73G1 ILE 118 HB 0.17 0.02 0.09 -0.04 1.89 2.13 2f73G1 ILE 118 HG12 0.02 -0.03 -0.06 -0.04 1.49 1.38 2f73G1 ILE 118 HG13 0.02 -0.09 0.14 -0.04 1.21 1.24 2f73G1 ILE 118 HG23 0.12 -0.01 -0.21 -0.04 0.93 0.79 2f73G1 ILE 118 HD13 -0.03 0.05 0.00 -0.04 0.88 0.86 2f73G1 VAL 119 H 0.08 0.18 0.07 -0.55 8.24 8.02 2f73G1 VAL 119 HA 0.07 0.21 0.91 -0.75 4.13 4.57 2f73G1 VAL 119 HB 0.04 -0.01 0.09 -0.04 2.12 2.20 2f73G1 VAL 119 HG13 0.01 -0.03 -0.19 -0.04 0.97 0.72 2f73G1 VAL 119 HG23 0.02 0.02 -0.22 -0.04 0.95 0.72 2f73G1 PHE 120 H 0.10 0.66 0.10 -0.55 8.34 8.64 2f73G1 PHE 120 HA -0.02 0.29 0.77 -0.75 4.62 4.91 2f73G1 PHE 120 HB2 -0.23 -0.05 0.13 -0.04 3.15 2.96 2f73G1 PHE 120 HB3 -0.78 0.05 0.30 -0.04 3.06 2.58 2f73G1 PHE 120 HD2 -0.60 0.17 -0.00 -0.04 7.28 6.81 2f73G1 PHE 120 HE2 0.12 -0.03 -0.06 -0.04 7.38 7.37 2f73G1 PHE 120 HZ 0.18 0.00 -0.05 -0.04 7.32 7.42 2f73G1 LYS 121 H 0.10 0.26 0.16 -0.55 8.42 8.39 2f73G1 LYS 121 HA -0.23 0.35 1.04 -0.75 4.32 4.72 2f73G1 LYS 121 HB2 -0.05 0.00 -0.07 -0.04 1.87 1.70 2f73G1 LYS 121 HB3 -0.01 -0.05 0.05 -0.04 1.79 1.75 2f73G1 LYS 121 HG2 -0.04 -0.09 -0.24 -0.04 1.46 1.06 2f73G1 LYS 121 HG3 -0.10 -0.04 -0.14 -0.04 1.46 1.13 2f73G1 LYS 121 HD2 -0.06 0.00 -0.19 -0.04 1.69 1.41 2f73G1 LYS 121 HD3 -0.07 0.03 -0.17 -0.04 1.68 1.43 2f73G1 LYS 121 HE2 -0.02 0.01 -0.09 -0.04 2.99 2.84 2f73G1 LYS 121 HE3 -0.02 -0.04 -0.09 -0.04 2.99 2.80 2f73G1 ARG 122 H -0.21 0.39 0.13 -0.55 8.46 8.22 2f73G1 ARG 122 HA -0.10 0.13 0.84 -0.75 4.34 4.46 2f73G1 ARG 122 HB2 -0.28 -0.04 0.16 -0.04 1.90 1.70 2f73G1 ARG 122 HB3 -0.14 0.08 0.04 -0.04 1.80 1.74 2f73G1 ARG 122 HG2 -0.24 0.08 -0.09 -0.04 1.67 1.38 2f73G1 ARG 122 HG3 -1.10 0.01 -0.37 -0.04 1.67 0.17 2f73G1 ARG 122 HD2 -0.03 0.05 0.01 -0.04 3.22 3.20 2f73G1 ARG 122 HD3 -0.16 -0.05 -0.05 -0.04 3.22 2.91 2f73G1 ILE 123 H -0.04 0.10 -0.02 -0.55 8.25 7.74 2f73G1 ILE 123 HA -0.05 0.22 0.79 -0.75 4.18 4.39 2f73G1 ILE 123 HB -0.01 -0.29 0.16 -0.04 1.89 1.70 2f73G1 ILE 123 HG12 -0.02 -0.09 -0.04 -0.04 1.49 1.30 2f73G1 ILE 123 HG13 -0.01 0.02 0.01 -0.04 1.21 1.19 2f73G1 ILE 123 HG23 -0.01 0.04 0.04 -0.04 0.93 0.96 2f73G1 ILE 123 HD13 -0.03 0.02 -0.09 -0.04 0.88 0.74 2f73G1 SER 124 H -0.02 0.62 0.46 -0.55 8.46 8.97 2f73G1 SER 124 HA 0.03 0.06 0.93 -0.75 4.49 4.76 2f73G1 SER 124 HB2 -0.04 -0.04 -0.08 -0.04 3.95 3.75 2f73G1 SER 124 HB3 0.11 0.03 -0.19 -0.04 3.93 3.85 2f73G1 LYS 125 H 0.10 0.70 0.35 -0.55 8.42 9.02 2f73G1 LYS 125 HA 0.14 0.26 1.22 -0.75 4.32 5.19 2f73G1 LYS 125 HB2 0.04 -0.08 -0.00 -0.04 1.87 1.79 2f73G1 LYS 125 HB3 0.04 -0.00 0.04 -0.04 1.79 1.83 2f73G1 LYS 125 HG2 0.03 0.17 0.18 -0.04 1.46 1.80 2f73G1 LYS 125 HG3 0.05 -0.02 0.10 -0.04 1.46 1.54 2f73G1 LYS 125 HD2 0.02 -0.06 0.02 -0.04 1.69 1.63 2f73G1 LYS 125 HD3 0.02 -0.04 0.00 -0.04 1.68 1.62 2f73G1 LYS 125 HE2 0.01 0.01 -0.01 -0.04 2.99 2.96 2f73G1 LYS 125 HE3 0.00 0.09 0.08 -0.04 2.99 3.12 2f73G1 ARG 126 H 0.07 0.29 0.33 -0.55 8.46 8.60 2f73G1 ARG 126 HA -0.34 0.31 0.98 -0.75 4.34 4.54 2f73G1 ARG 126 HB2 -0.10 0.06 0.13 -0.04 1.90 1.96 2f73G1 ARG 126 HB3 -0.10 -0.06 0.12 -0.04 1.80 1.73 2f73G1 ARG 126 HG2 -0.35 -0.07 0.20 -0.04 1.67 1.40 2f73G1 ARG 126 HG3 -0.93 -0.01 0.00 -0.04 1.67 0.69 2f73G1 ARG 126 HD2 -0.12 -0.01 -0.01 -0.04 3.22 3.04 2f73G1 ARG 126 HD3 -0.17 -0.04 0.07 -0.04 3.22 3.04 2f73G1 ILE 127 H -0.18 0.31 0.24 -0.55 8.25 8.07 2f73G1 ILE 127 HA -0.05 0.20 0.68 -0.75 4.18 4.26 2f73G1 ILE 127 HB -0.03 0.00 0.04 -0.04 1.89 1.86 2f73G1 ILE 127 HG12 -0.09 0.12 0.10 -0.04 1.49 1.57 2f73G1 ILE 127 HG13 -0.05 -0.02 0.03 -0.04 1.21 1.13 2f73G1 ILE 127 HG23 -0.02 0.02 -0.22 -0.04 0.93 0.66 2f73G1 ILE 127 HD13 -0.01 -0.01 -0.13 -0.04 0.88 0.68