============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 4 rings ring int. center anis. iso. PHE 5 1.000 -7.161 7.902 -0.042 -99.200 -91.000 PHE 29 1.000 -9.550 9.987 7.018 -99.200 -91.000 PHE 51 1.000 0.070 0.734 8.201 -99.200 -91.000 TYR 72 0.840 -0.874 6.245 11.479 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2fq2A9 LEU 1 HA 0.32 -0.14 0.14 -0.75 4.35 3.91 2fq2A9 LEU 1 HB2 0.04 -0.00 0.05 -0.04 1.64 1.69 2fq2A9 LEU 1 HB3 0.07 0.03 0.13 -0.04 1.64 1.84 2fq2A9 LEU 1 HG 0.03 0.02 -0.15 -0.04 1.64 1.50 2fq2A9 LEU 1 HD13 -0.11 -0.01 -0.03 -0.04 0.93 0.74 2fq2A9 LEU 1 HD23 0.01 0.01 0.01 -0.04 0.89 0.88 2fq2A9 LYS 2 H 0.24 -0.11 0.04 -0.55 8.42 8.04 2fq2A9 LYS 2 HA 0.07 0.32 0.97 -0.75 4.32 4.93 2fq2A9 LYS 2 HB2 0.08 -0.30 0.25 -0.04 1.87 1.86 2fq2A9 LYS 2 HB3 0.05 0.08 0.07 -0.04 1.79 1.94 2fq2A9 LYS 2 HG2 0.04 0.03 -0.02 -0.04 1.46 1.47 2fq2A9 LYS 2 HG3 0.07 0.18 -0.24 -0.04 1.46 1.43 2fq2A9 LYS 2 HD2 0.11 0.13 -0.18 -0.04 1.69 1.70 2fq2A9 LYS 2 HD3 0.05 -0.08 0.02 -0.04 1.68 1.64 2fq2A9 LYS 2 HE2 0.03 -0.14 -0.55 -0.04 2.99 2.29 2fq2A9 LYS 2 HE3 0.03 0.02 -0.05 -0.04 2.99 2.94 2fq2A9 SER 3 H 0.11 -0.14 0.23 -0.55 8.46 8.12 2fq2A9 SER 3 HA 0.09 0.22 0.60 -0.75 4.49 4.65 2fq2A9 SER 3 HB2 0.06 0.02 -0.02 -0.04 3.95 3.97 2fq2A9 SER 3 HB3 0.06 0.11 0.10 -0.04 3.93 4.16 2fq2A9 THR 4 H 0.09 0.12 0.23 -0.55 8.28 8.18 2fq2A9 THR 4 HA 0.22 0.17 0.43 -0.75 4.39 4.46 2fq2A9 THR 4 HB 0.05 0.09 0.07 -0.04 4.32 4.49 2fq2A9 THR 4 HG23 0.03 -0.03 -0.11 -0.04 1.22 1.07 2fq2A9 PHE 5 H 0.22 -0.06 -0.28 -0.55 8.34 7.68 2fq2A9 PHE 5 HA 0.11 0.06 0.27 -0.75 4.62 4.31 2fq2A9 PHE 5 HB2 0.06 -0.17 0.06 -0.04 3.15 3.06 2fq2A9 PHE 5 HB3 0.05 0.12 -0.14 -0.04 3.06 3.06 2fq2A9 PHE 5 HD2 0.07 0.01 0.06 -0.04 7.28 7.38 2fq2A9 PHE 5 HE2 0.05 0.03 -0.03 -0.04 7.38 7.39 2fq2A9 PHE 5 HZ 0.03 -0.07 -0.16 -0.04 7.32 7.08 2fq2A9 ASP 6 H 0.20 0.32 -0.58 -0.55 8.40 7.80 2fq2A9 ASP 6 HA 0.10 0.08 0.35 -0.75 4.63 4.40 2fq2A9 ASP 6 HB2 0.09 0.22 0.19 -0.04 2.71 3.17 2fq2A9 ASP 6 HB3 0.04 0.04 0.04 -0.04 2.70 2.77 2fq2A9 ASP 7 H 0.06 0.22 0.06 -0.55 8.40 8.20 2fq2A9 ASP 7 HA -0.03 0.07 0.38 -0.75 4.63 4.30 2fq2A9 ASP 7 HB2 -0.05 0.02 0.15 -0.04 2.71 2.80 2fq2A9 ASP 7 HB3 -0.12 -0.00 0.02 -0.04 2.70 2.56 2fq2A9 ILE 8 H 0.14 0.47 -0.55 -0.55 8.25 7.76 2fq2A9 ILE 8 HA 0.12 0.03 0.44 -0.75 4.18 4.00 2fq2A9 ILE 8 HB 0.17 0.05 0.01 -0.04 1.89 2.07 2fq2A9 ILE 8 HG12 0.03 -0.02 -0.05 -0.04 1.49 1.41 2fq2A9 ILE 8 HG13 0.12 0.07 -0.09 -0.04 1.21 1.26 2fq2A9 ILE 8 HG23 0.28 -0.01 -0.16 -0.04 0.93 1.00 2fq2A9 ILE 8 HD13 -0.09 -0.04 -0.18 -0.04 0.88 0.54 2fq2A9 LYS 9 H 0.20 0.69 -0.07 -0.55 8.42 8.69 2fq2A9 LYS 9 HA 0.17 -0.06 0.48 -0.75 4.32 4.15 2fq2A9 LYS 9 HB2 0.09 -0.12 0.11 -0.04 1.87 1.91 2fq2A9 LYS 9 HB3 0.19 0.24 0.22 -0.04 1.79 2.40 2fq2A9 LYS 9 HG2 0.06 0.16 -0.04 -0.04 1.46 1.61 2fq2A9 LYS 9 HG3 0.04 -0.07 -0.19 -0.04 1.46 1.20 2fq2A9 LYS 9 HD2 -0.00 -0.04 -0.02 -0.04 1.69 1.58 2fq2A9 LYS 9 HD3 0.05 -0.03 0.01 -0.04 1.68 1.67 2fq2A9 LYS 9 HE2 0.03 -0.10 -0.00 -0.04 2.99 2.87 2fq2A9 LYS 9 HE3 0.02 0.02 -0.06 -0.04 2.99 2.92 2fq2A9 LYS 10 H 0.07 0.35 -0.35 -0.55 8.42 7.93 2fq2A9 LYS 10 HA 0.03 0.12 0.54 -0.75 4.32 4.25 2fq2A9 LYS 10 HB2 0.01 0.09 0.08 -0.04 1.87 2.00 2fq2A9 LYS 10 HB3 0.01 0.01 0.03 -0.04 1.79 1.80 2fq2A9 LYS 10 HG2 0.02 -0.02 -0.06 -0.04 1.46 1.35 2fq2A9 LYS 10 HG3 0.02 0.06 0.02 -0.04 1.46 1.52 2fq2A9 LYS 10 HD2 -0.02 -0.05 -0.11 -0.04 1.69 1.46 2fq2A9 LYS 10 HD3 -0.02 0.03 -0.02 -0.04 1.68 1.62 2fq2A9 LYS 10 HE2 -0.01 0.02 -0.03 -0.04 2.99 2.93 2fq2A9 LYS 10 HE3 0.00 -0.01 -0.06 -0.04 2.99 2.89 2fq2A9 ILE 11 H 0.05 0.49 -0.01 -0.55 8.25 8.23 2fq2A9 ILE 11 HA 0.03 0.10 0.45 -0.75 4.18 4.01 2fq2A9 ILE 11 HB 0.05 -0.09 0.19 -0.04 1.89 1.99 2fq2A9 ILE 11 HG12 0.09 0.08 0.29 -0.04 1.49 1.90 2fq2A9 ILE 11 HG13 0.11 -0.05 -0.00 -0.04 1.21 1.23 2fq2A9 ILE 11 HG23 0.02 0.04 0.09 -0.04 0.93 1.04 2fq2A9 ILE 11 HD13 0.07 -0.04 -0.12 -0.04 0.88 0.75 2fq2A9 ILE 12 H 0.09 0.48 -0.24 -0.55 8.25 8.02 2fq2A9 ILE 12 HA 0.06 -0.01 0.50 -0.75 4.18 3.97 2fq2A9 ILE 12 HB 0.04 -0.08 -0.03 -0.04 1.89 1.78 2fq2A9 ILE 12 HG12 0.14 0.05 -0.00 -0.04 1.49 1.64 2fq2A9 ILE 12 HG13 0.09 0.05 0.00 -0.04 1.21 1.31 2fq2A9 ILE 12 HG23 0.16 0.00 -0.00 -0.04 0.93 1.04 2fq2A9 ILE 12 HD13 0.06 -0.01 -0.24 -0.04 0.88 0.64 2fq2A9 SER 13 H 0.05 0.27 -0.53 -0.55 8.46 7.70 2fq2A9 SER 13 HA 0.02 0.10 0.06 -0.75 4.49 3.92 2fq2A9 SER 13 HB2 0.03 -0.04 0.17 -0.04 3.95 4.06 2fq2A9 SER 13 HB3 0.03 0.05 0.22 -0.04 3.93 4.18 2fq2A9 LYS 14 H 0.03 0.24 -0.39 -0.55 8.42 7.74 2fq2A9 LYS 14 HA 0.01 0.18 0.74 -0.75 4.32 4.50 2fq2A9 LYS 14 HB2 0.01 0.03 0.05 -0.04 1.87 1.92 2fq2A9 LYS 14 HB3 0.02 0.01 0.05 -0.04 1.79 1.83 2fq2A9 LYS 14 HG2 0.01 0.01 0.13 -0.04 1.46 1.57 2fq2A9 LYS 14 HG3 0.01 -0.02 0.02 -0.04 1.46 1.42 2fq2A9 LYS 14 HD2 0.01 0.02 -0.20 -0.04 1.69 1.47 2fq2A9 LYS 14 HD3 0.01 -0.02 -0.03 -0.04 1.68 1.60 2fq2A9 LYS 14 HE2 0.01 -0.02 -0.04 -0.04 2.99 2.89 2fq2A9 LYS 14 HE3 0.00 -0.00 -0.02 -0.04 2.99 2.93 2fq2A9 GLN 15 H 0.03 0.15 -0.25 -0.55 8.47 7.84 2fq2A9 GLN 15 HA 0.02 0.17 0.76 -0.75 4.36 4.55 2fq2A9 GLN 15 HB2 0.03 0.11 0.17 -0.04 2.15 2.42 2fq2A9 GLN 15 HB3 0.03 -0.14 0.22 -0.04 2.02 2.09 2fq2A9 GLN 15 HG2 0.03 -0.03 0.18 -0.04 2.40 2.53 2fq2A9 GLN 15 HG3 0.02 -0.06 -0.08 -0.04 2.39 2.23 2fq2A9 GLN 15 HE21 0.01 -0.10 -0.01 -0.04 6.97 6.83 2fq2A9 GLN 15 HE22 0.01 0.04 -0.01 -0.04 7.69 7.69 2fq2A9 LEU 16 H 0.02 0.26 0.12 -0.55 8.37 8.23 2fq2A9 LEU 16 HA 0.01 0.16 0.67 -0.75 4.35 4.43 2fq2A9 LEU 16 HB2 0.01 0.03 -0.01 -0.04 1.64 1.63 2fq2A9 LEU 16 HB3 -0.00 0.02 0.12 -0.04 1.64 1.74 2fq2A9 LEU 16 HG 0.02 -0.07 -0.08 -0.04 1.64 1.47 2fq2A9 LEU 16 HD13 0.01 -0.02 -0.02 -0.04 0.93 0.86 2fq2A9 LEU 16 HD23 0.00 -0.00 -0.03 -0.04 0.89 0.82 2fq2A9 SER 17 H 0.01 0.02 -0.90 -0.55 8.46 7.05 2fq2A9 SER 17 HA 0.01 0.22 0.30 -0.75 4.49 4.26 2fq2A9 SER 17 HB2 0.00 0.07 0.33 -0.04 3.95 4.32 2fq2A9 SER 17 HB3 0.00 -0.04 0.04 -0.04 3.93 3.89 2fq2A9 VAL 18 H 0.00 0.78 -0.16 -0.55 8.24 8.32 2fq2A9 VAL 18 HA 0.01 -0.05 0.37 -0.75 4.13 3.71 2fq2A9 VAL 18 HB 0.00 0.25 0.05 -0.04 2.12 2.38 2fq2A9 VAL 18 HG13 0.00 0.03 -0.03 -0.04 0.97 0.93 2fq2A9 VAL 18 HG23 0.00 -0.08 -0.04 -0.04 0.95 0.78 2fq2A9 GLU 19 H 0.02 0.12 0.04 -0.55 8.60 8.23 2fq2A9 GLU 19 HA -0.01 0.24 0.61 -0.75 4.29 4.38 2fq2A9 GLU 19 HB2 -0.03 -0.03 -0.02 -0.04 2.09 1.97 2fq2A9 GLU 19 HB3 -0.05 -0.03 0.15 -0.04 1.99 2.01 2fq2A9 GLU 19 HG2 -0.02 0.32 -0.07 -0.04 2.34 2.53 2fq2A9 GLU 19 HG3 -0.01 -0.05 -0.50 -0.04 2.34 1.75 2fq2A9 GLU 20 H 0.01 0.21 0.10 -0.55 8.60 8.37 2fq2A9 GLU 20 HA 0.08 0.06 0.48 -0.75 4.29 4.16 2fq2A9 GLU 20 HB2 -0.05 0.06 0.13 -0.04 2.09 2.19 2fq2A9 GLU 20 HB3 0.01 0.02 0.14 -0.04 1.99 2.12 2fq2A9 GLU 20 HG2 -0.01 -0.07 -0.06 -0.04 2.34 2.16 2fq2A9 GLU 20 HG3 -0.03 0.05 -0.18 -0.04 2.34 2.14 2fq2A9 ASP 21 H 0.00 0.05 -0.59 -0.55 8.40 7.32 2fq2A9 ASP 21 HA -0.00 0.23 0.71 -0.75 4.63 4.81 2fq2A9 ASP 21 HB2 -0.01 0.01 0.03 -0.04 2.71 2.71 2fq2A9 ASP 21 HB3 -0.00 0.07 0.17 -0.04 2.70 2.89 2fq2A9 LYS 22 H 0.02 0.01 -0.55 -0.55 8.42 7.34 2fq2A9 LYS 22 HA -0.00 0.11 0.30 -0.75 4.32 3.97 2fq2A9 LYS 22 HB2 -0.03 -0.03 0.00 -0.04 1.87 1.76 2fq2A9 LYS 22 HB3 -0.02 0.27 0.19 -0.04 1.79 2.19 2fq2A9 LYS 22 HG2 -0.03 0.02 -0.14 -0.04 1.46 1.27 2fq2A9 LYS 22 HG3 -0.04 0.00 -0.09 -0.04 1.46 1.28 2fq2A9 LYS 22 HD2 -0.01 0.04 -0.50 -0.04 1.69 1.18 2fq2A9 LYS 22 HD3 -0.02 -0.00 -0.08 -0.04 1.68 1.54 2fq2A9 LYS 22 HE2 -0.02 -0.00 -0.03 -0.04 2.99 2.90 2fq2A9 LYS 22 HE3 -0.01 0.08 -0.02 -0.04 2.99 2.99 2fq2A9 ILE 23 H -0.01 0.53 0.21 -0.55 8.25 8.43 2fq2A9 ILE 23 HA -0.25 0.05 0.47 -0.75 4.18 3.69 2fq2A9 ILE 23 HB -0.09 0.14 0.11 -0.04 1.89 2.01 2fq2A9 ILE 23 HG12 -0.14 0.01 -0.04 -0.04 1.49 1.27 2fq2A9 ILE 23 HG13 -0.40 -0.04 0.05 -0.04 1.21 0.78 2fq2A9 ILE 23 HG23 0.30 -0.04 -0.08 -0.04 0.93 1.07 2fq2A9 ILE 23 HD13 -1.28 -0.00 0.07 -0.04 0.88 -0.37 2fq2A9 GLN 24 H 0.11 0.05 -0.54 -0.55 8.47 7.55 2fq2A9 GLN 24 HA 0.21 0.09 0.65 -0.75 4.36 4.55 2fq2A9 GLN 24 HB2 0.32 0.06 0.15 -0.04 2.15 2.64 2fq2A9 GLN 24 HB3 0.35 0.01 0.07 -0.04 2.02 2.41 2fq2A9 GLN 24 HG2 0.09 0.03 0.05 -0.04 2.40 2.53 2fq2A9 GLN 24 HG3 0.06 0.06 0.02 -0.04 2.39 2.49 2fq2A9 GLN 24 HE21 0.04 0.02 -0.34 -0.04 6.97 6.65 2fq2A9 GLN 24 HE22 0.02 0.03 -0.28 -0.04 7.69 7.43 2fq2A9 MET 25 H -0.00 0.27 -0.72 -0.55 8.47 7.47 2fq2A9 MET 25 HA 0.03 0.19 0.54 -0.75 4.52 4.52 2fq2A9 MET 25 HB2 -0.03 0.11 0.15 -0.04 2.15 2.34 2fq2A9 MET 25 HB3 0.00 -0.12 0.06 -0.04 2.03 1.93 2fq2A9 MET 25 HG2 0.01 0.01 0.00 -0.04 2.63 2.61 2fq2A9 MET 25 HG3 -0.01 0.03 0.05 -0.04 2.56 2.59 2fq2A9 MET 25 HE3 0.01 0.01 0.01 -0.04 2.10 2.09 2fq2A9 ASN 26 H 0.04 0.12 -0.21 -0.55 8.53 7.93 2fq2A9 ASN 26 HA 0.05 -0.30 0.36 -0.75 4.76 4.11 2fq2A9 ASN 26 HB2 0.03 0.21 0.08 -0.04 2.88 3.16 2fq2A9 ASN 26 HB3 0.04 -0.12 0.16 -0.04 2.79 2.82 2fq2A9 ASN 26 HD21 0.06 -0.15 -0.01 -0.04 7.03 6.89 2fq2A9 ASN 26 HD22 0.10 0.12 -0.05 -0.04 7.74 7.88 2fq2A9 SER 27 H 0.04 -0.04 -0.43 -0.55 8.46 7.48 2fq2A9 SER 27 HA 0.03 0.24 0.93 -0.75 4.49 4.94 2fq2A9 SER 27 HB2 0.01 -0.16 0.14 -0.04 3.95 3.91 2fq2A9 SER 27 HB3 0.02 -0.00 0.01 -0.04 3.93 3.91 2fq2A9 ASN 28 H 0.03 0.17 0.22 -0.55 8.53 8.41 2fq2A9 ASN 28 HA 0.12 0.21 0.68 -0.75 4.76 5.01 2fq2A9 ASN 28 HB2 0.04 -0.45 0.08 -0.04 2.88 2.50 2fq2A9 ASN 28 HB3 0.05 0.02 0.14 -0.04 2.79 2.96 2fq2A9 ASN 28 HD21 0.02 -0.09 -0.14 -0.04 7.03 6.77 2fq2A9 ASN 28 HD22 0.01 0.17 -0.19 -0.04 7.74 7.69 2fq2A9 PHE 29 H 0.23 0.14 0.26 -0.55 8.34 8.41 2fq2A9 PHE 29 HA -0.02 0.24 0.88 -0.75 4.62 4.96 2fq2A9 PHE 29 HB2 -0.04 -0.06 0.03 -0.04 3.15 3.04 2fq2A9 PHE 29 HB3 -0.03 0.03 -0.02 -0.04 3.06 3.01 2fq2A9 PHE 29 HD2 -0.04 0.04 -0.14 -0.04 7.28 7.10 2fq2A9 PHE 29 HE2 -0.08 -0.01 -0.08 -0.04 7.38 7.16 2fq2A9 PHE 29 HZ -0.19 -0.03 -0.07 -0.04 7.32 6.99 2fq2A9 THR 30 H 0.10 0.02 0.11 -0.55 8.28 7.96 2fq2A9 THR 30 HA 0.04 0.16 0.85 -0.75 4.39 4.68 2fq2A9 THR 30 HB 0.05 0.02 -0.05 -0.04 4.32 4.30 2fq2A9 THR 30 HG23 0.03 0.02 -0.02 -0.04 1.22 1.21 2fq2A9 LYS 31 H 0.03 -0.22 -0.14 -0.55 8.42 7.54 2fq2A9 LYS 31 HA 0.01 0.33 0.87 -0.75 4.32 4.77 2fq2A9 LYS 31 HB2 0.02 0.01 -0.07 -0.04 1.87 1.79 2fq2A9 LYS 31 HB3 0.01 0.13 0.02 -0.04 1.79 1.91 2fq2A9 LYS 31 HG2 0.02 0.13 -0.25 -0.04 1.46 1.31 2fq2A9 LYS 31 HG3 0.03 -0.31 -0.05 -0.04 1.46 1.09 2fq2A9 LYS 31 HD2 0.02 -0.02 -0.04 -0.04 1.69 1.61 2fq2A9 LYS 31 HD3 0.01 0.08 -0.06 -0.04 1.68 1.68 2fq2A9 LYS 31 HE2 0.01 0.02 -0.06 -0.04 2.99 2.92 2fq2A9 LYS 31 HE3 0.01 -0.02 -0.04 -0.04 2.99 2.90 2fq2A9 ASP 32 H 0.01 -0.20 -0.12 -0.55 8.40 7.53 2fq2A9 ASP 32 HA -0.01 0.22 0.54 -0.75 4.63 4.63 2fq2A9 ASP 32 HB2 -0.00 -0.26 0.25 -0.04 2.71 2.65 2fq2A9 ASP 32 HB3 -0.06 0.06 0.28 -0.04 2.70 2.94 2fq2A9 LEU 33 H -0.07 0.09 -0.01 -0.55 8.37 7.83 2fq2A9 LEU 33 HA -0.04 0.17 0.36 -0.75 4.35 4.09 2fq2A9 LEU 33 HB2 -0.07 0.06 -0.04 -0.04 1.64 1.55 2fq2A9 LEU 33 HB3 -0.12 0.02 0.03 -0.04 1.64 1.53 2fq2A9 LEU 33 HG -0.08 -0.25 -0.06 -0.04 1.64 1.22 2fq2A9 LEU 33 HD13 -0.04 -0.00 -0.01 -0.04 0.93 0.83 2fq2A9 LEU 33 HD23 -0.35 0.01 0.14 -0.04 0.89 0.65 2fq2A9 GLY 34 H -0.02 -0.18 -0.71 -0.55 8.43 6.97 2fq2A9 GLY 34 HA2 -0.00 0.02 -0.04 -0.51 4.01 3.47 2fq2A9 GLY 34 HA3 -0.01 0.18 0.11 -0.51 4.01 3.78 2fq2A9 ALA 35 H -0.01 -0.03 -0.24 -0.55 8.40 7.58 2fq2A9 ALA 35 HA -0.01 0.23 0.45 -0.75 4.34 4.27 2fq2A9 ALA 35 HB3 -0.00 0.00 0.07 -0.04 1.41 1.44 2fq2A9 ASP 36 H 0.01 0.07 0.04 -0.55 8.40 7.97 2fq2A9 ASP 36 HA 0.01 0.12 0.36 -0.75 4.63 4.36 2fq2A9 ASP 36 HB2 0.01 -0.12 0.05 -0.04 2.71 2.60 2fq2A9 ASP 36 HB3 0.00 0.37 0.29 -0.04 2.70 3.32 2fq2A9 SER 37 H 0.01 0.30 0.12 -0.55 8.46 8.34 2fq2A9 SER 37 HA 0.01 0.02 0.37 -0.75 4.49 4.14 2fq2A9 SER 37 HB2 0.00 0.06 0.05 -0.04 3.95 4.03 2fq2A9 SER 37 HB3 0.01 0.07 0.15 -0.04 3.93 4.11 2fq2A9 LEU 38 H 0.01 0.08 -0.40 -0.55 8.37 7.51 2fq2A9 LEU 38 HA 0.01 0.11 0.38 -0.75 4.35 4.09 2fq2A9 LEU 38 HB2 0.01 -0.00 0.03 -0.04 1.64 1.63 2fq2A9 LEU 38 HB3 0.01 0.08 0.02 -0.04 1.64 1.70 2fq2A9 LEU 38 HG 0.00 -0.05 0.01 -0.04 1.64 1.57 2fq2A9 LEU 38 HD13 0.00 -0.01 -0.00 -0.04 0.93 0.89 2fq2A9 LEU 38 HD23 0.00 0.03 -0.00 -0.04 0.89 0.88 2fq2A9 ASP 39 H 0.01 0.18 -0.07 -0.55 8.40 7.98 2fq2A9 ASP 39 HA 0.02 0.11 0.47 -0.75 4.63 4.47 2fq2A9 ASP 39 HB2 0.02 -0.00 0.13 -0.04 2.71 2.81 2fq2A9 ASP 39 HB3 0.02 -0.03 -0.07 -0.04 2.70 2.58 2fq2A9 LEU 40 H 0.03 0.58 -0.05 -0.55 8.37 8.37 2fq2A9 LEU 40 HA 0.07 0.03 0.33 -0.75 4.35 4.03 2fq2A9 LEU 40 HB2 0.03 -0.00 -0.01 -0.04 1.64 1.61 2fq2A9 LEU 40 HB3 0.04 0.05 -0.09 -0.04 1.64 1.59 2fq2A9 LEU 40 HG 0.05 -0.05 -0.11 -0.04 1.64 1.49 2fq2A9 LEU 40 HD13 0.16 -0.01 -0.14 -0.04 0.93 0.89 2fq2A9 LEU 40 HD23 0.03 0.05 0.01 -0.04 0.89 0.94 2fq2A9 VAL 41 H 0.02 0.64 -0.09 -0.55 8.24 8.25 2fq2A9 VAL 41 HA -0.00 -0.01 0.38 -0.75 4.13 3.74 2fq2A9 VAL 41 HB 0.01 0.14 0.10 -0.04 2.12 2.33 2fq2A9 VAL 41 HG13 -0.00 -0.02 0.00 -0.04 0.97 0.92 2fq2A9 VAL 41 HG23 0.00 -0.06 0.05 -0.04 0.95 0.89 2fq2A9 GLU 42 H 0.02 0.22 -0.65 -0.55 8.60 7.64 2fq2A9 GLU 42 HA 0.01 0.06 0.54 -0.75 4.29 4.14 2fq2A9 GLU 42 HB2 0.02 0.06 0.37 -0.04 2.09 2.50 2fq2A9 GLU 42 HB3 0.02 -0.03 0.05 -0.04 1.99 1.99 2fq2A9 GLU 42 HG2 0.01 -0.05 0.03 -0.04 2.34 2.29 2fq2A9 GLU 42 HG3 0.01 0.04 0.07 -0.04 2.34 2.41 2fq2A9 LEU 43 H 0.03 0.70 0.18 -0.55 8.37 8.73 2fq2A9 LEU 43 HA 0.03 0.05 0.35 -0.75 4.35 4.03 2fq2A9 LEU 43 HB2 0.07 -0.14 -0.20 -0.04 1.64 1.33 2fq2A9 LEU 43 HB3 0.05 0.04 0.02 -0.04 1.64 1.71 2fq2A9 LEU 43 HG 0.06 0.20 0.17 -0.04 1.64 2.03 2fq2A9 LEU 43 HD13 0.14 -0.02 -0.19 -0.04 0.93 0.82 2fq2A9 LEU 43 HD23 0.09 -0.06 -0.25 -0.04 0.89 0.63 2fq2A9 ILE 44 H 0.02 0.44 -0.53 -0.55 8.25 7.63 2fq2A9 ILE 44 HA 0.00 -0.03 0.44 -0.75 4.18 3.84 2fq2A9 ILE 44 HB -0.02 0.10 0.07 -0.04 1.89 2.00 2fq2A9 ILE 44 HG12 -0.11 -0.10 0.01 -0.04 1.49 1.25 2fq2A9 ILE 44 HG13 0.01 0.07 0.06 -0.04 1.21 1.30 2fq2A9 ILE 44 HG23 -0.08 0.01 -0.19 -0.04 0.93 0.63 2fq2A9 ILE 44 HD13 -0.05 -0.06 -0.07 -0.04 0.88 0.65 2fq2A9 MET 45 H 0.01 0.48 -0.13 -0.55 8.47 8.28 2fq2A9 MET 45 HA 0.01 -0.04 0.39 -0.75 4.52 4.13 2fq2A9 MET 45 HB2 0.01 -0.08 0.16 -0.04 2.15 2.20 2fq2A9 MET 45 HB3 0.01 0.34 0.34 -0.04 2.03 2.68 2fq2A9 MET 45 HG2 0.01 0.14 0.00 -0.04 2.63 2.75 2fq2A9 MET 45 HG3 0.01 -0.08 -0.28 -0.04 2.56 2.17 2fq2A9 MET 45 HE3 0.01 -0.01 -0.00 -0.04 2.10 2.05 2fq2A9 ALA 46 H 0.02 0.40 -0.54 -0.55 8.40 7.74 2fq2A9 ALA 46 HA 0.01 0.07 0.48 -0.75 4.34 4.15 2fq2A9 ALA 46 HB3 0.01 0.04 0.04 -0.04 1.41 1.47 2fq2A9 LEU 47 H 0.04 0.43 -0.01 -0.55 8.37 8.28 2fq2A9 LEU 47 HA -0.01 0.02 0.38 -0.75 4.35 3.99 2fq2A9 LEU 47 HB2 0.07 0.13 0.23 -0.04 1.64 2.02 2fq2A9 LEU 47 HB3 0.18 -0.01 0.05 -0.04 1.64 1.82 2fq2A9 LEU 47 HG 0.08 0.03 -0.17 -0.04 1.64 1.53 2fq2A9 LEU 47 HD13 0.17 -0.02 -0.06 -0.04 0.93 0.98 2fq2A9 LEU 47 HD23 0.24 -0.01 -0.03 -0.04 0.89 1.05 2fq2A9 GLU 48 H 0.10 0.53 -0.17 -0.55 8.60 8.51 2fq2A9 GLU 48 HA 0.27 -0.00 0.44 -0.75 4.29 4.25 2fq2A9 GLU 48 HB2 0.15 -0.09 0.02 -0.04 2.09 2.13 2fq2A9 GLU 48 HB3 0.08 0.15 0.10 -0.04 1.99 2.28 2fq2A9 GLU 48 HG2 0.12 -0.14 -0.09 -0.04 2.34 2.19 2fq2A9 GLU 48 HG3 0.08 -0.27 -0.09 -0.04 2.34 2.02 2fq2A9 GLU 49 H 0.05 0.43 -0.15 -0.55 8.60 8.39 2fq2A9 GLU 49 HA 0.04 0.02 0.43 -0.75 4.29 4.02 2fq2A9 GLU 49 HB2 0.02 0.18 0.24 -0.04 2.09 2.49 2fq2A9 GLU 49 HB3 0.01 0.05 0.10 -0.04 1.99 2.12 2fq2A9 GLU 49 HG2 0.01 -0.00 0.08 -0.04 2.34 2.39 2fq2A9 GLU 49 HG3 0.02 -0.03 0.12 -0.04 2.34 2.40 2fq2A9 LYS 50 H 0.00 0.25 -0.71 -0.55 8.42 7.41 2fq2A9 LYS 50 HA -0.05 0.11 0.69 -0.75 4.32 4.33 2fq2A9 LYS 50 HB2 -0.09 -0.03 0.05 -0.04 1.87 1.76 2fq2A9 LYS 50 HB3 -0.18 0.13 0.17 -0.04 1.79 1.87 2fq2A9 LYS 50 HG2 -0.23 -0.09 -0.00 -0.04 1.46 1.10 2fq2A9 LYS 50 HG3 -0.44 0.01 -0.25 -0.04 1.46 0.74 2fq2A9 LYS 50 HD2 -0.12 0.00 0.06 -0.04 1.69 1.59 2fq2A9 LYS 50 HD3 -0.08 0.04 0.12 -0.04 1.68 1.72 2fq2A9 LYS 50 HE2 -0.09 -0.02 0.00 -0.04 2.99 2.84 2fq2A9 LYS 50 HE3 -0.11 -0.03 0.00 -0.04 2.99 2.80 2fq2A9 PHE 51 H 0.07 0.34 0.06 -0.55 8.34 8.26 2fq2A9 PHE 51 HA -0.01 0.09 0.58 -0.75 4.62 4.51 2fq2A9 PHE 51 HB2 0.00 0.03 0.20 -0.04 3.15 3.34 2fq2A9 PHE 51 HB3 -0.05 -0.05 0.04 -0.04 3.06 2.96 2fq2A9 PHE 51 HD2 -0.02 0.03 0.02 -0.04 7.28 7.26 2fq2A9 PHE 51 HE2 -0.03 -0.03 -0.01 -0.04 7.38 7.27 2fq2A9 PHE 51 HZ -0.04 -0.09 -0.01 -0.04 7.32 7.14 2fq2A9 ASN 52 H 0.10 0.27 -0.38 -0.55 8.53 7.97 2fq2A9 ASN 52 HA 0.05 0.05 0.26 -0.75 4.76 4.36 2fq2A9 ASN 52 HB2 0.05 0.03 -0.31 -0.04 2.88 2.61 2fq2A9 ASN 52 HB3 0.06 0.09 0.29 -0.04 2.79 3.19 2fq2A9 ASN 52 HD21 0.03 0.00 0.00 -0.04 7.03 7.02 2fq2A9 ASN 52 HD22 0.02 -0.05 0.02 -0.04 7.74 7.69 2fq2A9 VAL 53 H 0.11 0.29 0.00 -0.55 8.24 8.09 2fq2A9 VAL 53 HA 0.04 0.26 0.83 -0.75 4.13 4.51 2fq2A9 VAL 53 HB 0.08 -0.10 -0.09 -0.04 2.12 1.97 2fq2A9 VAL 53 HG13 -0.04 0.04 -0.20 -0.04 0.97 0.74 2fq2A9 VAL 53 HG23 0.13 -0.02 -0.12 -0.04 0.95 0.90 2fq2A9 THR 54 H 0.04 0.21 0.02 -0.55 8.28 8.00 2fq2A9 THR 54 HA 0.04 0.22 0.94 -0.75 4.39 4.83 2fq2A9 THR 54 HB 0.02 -0.00 0.19 -0.04 4.32 4.48 2fq2A9 THR 54 HG23 0.01 -0.00 -0.07 -0.04 1.22 1.13 2fq2A9 ILE 55 H 0.05 0.32 0.03 -0.55 8.25 8.10 2fq2A9 ILE 55 HA 0.02 0.17 0.88 -0.75 4.18 4.50 2fq2A9 ILE 55 HB -0.00 0.02 -0.09 -0.04 1.89 1.79 2fq2A9 ILE 55 HG12 0.29 0.07 -0.15 -0.04 1.49 1.66 2fq2A9 ILE 55 HG13 0.10 0.06 -0.74 -0.04 1.21 0.58 2fq2A9 ILE 55 HG23 -0.03 -0.09 0.02 -0.04 0.93 0.78 2fq2A9 ILE 55 HD13 0.21 0.01 -0.24 -0.04 0.88 0.82 2fq2A9 SER 56 H -0.03 -0.08 0.13 -0.55 8.46 7.95 2fq2A9 SER 56 HA -0.03 0.13 0.41 -0.75 4.49 4.24 2fq2A9 SER 56 HB2 -0.01 0.20 0.17 -0.04 3.95 4.28 2fq2A9 SER 56 HB3 -0.01 -0.03 -0.28 -0.04 3.93 3.58 2fq2A9 ASP 57 H -0.02 0.24 0.14 -0.55 8.40 8.21 2fq2A9 ASP 57 HA -0.02 0.16 0.41 -0.75 4.63 4.42 2fq2A9 ASP 57 HB2 -0.01 -0.03 0.15 -0.04 2.71 2.77 2fq2A9 ASP 57 HB3 -0.02 0.09 0.01 -0.04 2.70 2.74 2fq2A9 GLN 58 H -0.04 -0.20 -0.24 -0.55 8.47 7.44 2fq2A9 GLN 58 HA -0.06 0.32 0.86 -0.75 4.36 4.72 2fq2A9 GLN 58 HB2 -0.06 0.06 -0.08 -0.04 2.15 2.03 2fq2A9 GLN 58 HB3 -0.03 0.12 -0.05 -0.04 2.02 2.02 2fq2A9 GLN 58 HG2 -0.04 -0.31 0.05 -0.04 2.40 2.06 2fq2A9 GLN 58 HG3 -0.02 0.12 -0.07 -0.04 2.39 2.37 2fq2A9 GLN 58 HE21 -0.00 0.06 -0.01 -0.04 6.97 6.98 2fq2A9 GLN 58 HE22 0.00 0.06 -0.02 -0.04 7.69 7.70 2fq2A9 ASP 59 H -0.09 -0.21 -0.17 -0.55 8.40 7.39 2fq2A9 ASP 59 HA -0.35 0.08 0.25 -0.75 4.63 3.86 2fq2A9 ASP 59 HB2 -0.09 -0.23 -0.22 -0.04 2.71 2.13 2fq2A9 ASP 59 HB3 -0.10 0.15 -0.21 -0.04 2.70 2.50 2fq2A9 ALA 60 H -0.09 0.15 -0.75 -0.55 8.40 7.17 2fq2A9 ALA 60 HA -0.08 0.14 0.63 -0.75 4.34 4.27 2fq2A9 ALA 60 HB3 -0.04 0.06 -0.05 -0.04 1.41 1.34 2fq2A9 LEU 61 H -0.08 0.14 -0.36 -0.55 8.37 7.52 2fq2A9 LEU 61 HA -0.05 0.10 0.86 -0.75 4.35 4.50 2fq2A9 LEU 61 HB2 -0.03 0.03 0.23 -0.04 1.64 1.82 2fq2A9 LEU 61 HB3 -0.03 0.02 0.00 -0.04 1.64 1.59 2fq2A9 LEU 61 HG -0.05 -0.09 0.16 -0.04 1.64 1.62 2fq2A9 LEU 61 HD13 -0.03 0.02 0.12 -0.04 0.93 0.99 2fq2A9 LEU 61 HD23 -0.03 0.03 -0.02 -0.04 0.89 0.83 2fq2A9 LYS 62 H -0.15 -0.01 -0.30 -0.55 8.42 7.41 2fq2A9 LYS 62 HA -0.08 0.20 0.68 -0.75 4.32 4.36 2fq2A9 LYS 62 HB2 -0.12 0.13 -0.24 -0.04 1.87 1.60 2fq2A9 LYS 62 HB3 -0.26 -0.10 -0.08 -0.04 1.79 1.31 2fq2A9 LYS 62 HG2 -0.07 0.00 -0.21 -0.04 1.46 1.14 2fq2A9 LYS 62 HG3 -0.05 -0.05 -0.09 -0.04 1.46 1.23 2fq2A9 LYS 62 HD2 0.01 0.05 -0.06 -0.04 1.69 1.65 2fq2A9 LYS 62 HD3 -0.04 0.05 -0.02 -0.04 1.68 1.63 2fq2A9 LYS 62 HE2 -0.02 -0.03 -0.10 -0.04 2.99 2.80 2fq2A9 LYS 62 HE3 -0.12 -0.08 -0.25 -0.04 2.99 2.51 2fq2A9 ILE 63 H -0.29 0.26 -0.02 -0.55 8.25 7.65 2fq2A9 ILE 63 HA -0.24 0.09 0.26 -0.75 4.18 3.53 2fq2A9 ILE 63 HB -0.50 0.06 -0.02 -0.04 1.89 1.40 2fq2A9 ILE 63 HG12 -0.26 0.03 -0.02 -0.04 1.49 1.20 2fq2A9 ILE 63 HG13 -0.27 0.00 -0.02 -0.04 1.21 0.88 2fq2A9 ILE 63 HG23 -0.91 -0.01 -0.09 -0.04 0.93 -0.12 2fq2A9 ILE 63 HD13 -0.68 0.06 0.02 -0.04 0.88 0.24 2fq2A9 ASN 64 H -0.17 -0.02 -0.69 -0.55 8.53 7.10 2fq2A9 ASN 64 HA 0.13 -0.14 0.28 -0.75 4.76 4.28 2fq2A9 ASN 64 HB2 0.04 0.20 0.02 -0.04 2.88 3.10 2fq2A9 ASN 64 HB3 0.03 -0.12 0.13 -0.04 2.79 2.80 2fq2A9 ASN 64 HD21 -0.02 0.03 -0.15 -0.04 7.03 6.84 2fq2A9 ASN 64 HD22 -0.04 0.14 -0.19 -0.04 7.74 7.60 2fq2A9 THR 65 H -0.05 0.28 -0.61 -0.55 8.28 7.35 2fq2A9 THR 65 HA 0.06 0.13 0.62 -0.75 4.39 4.45 2fq2A9 THR 65 HB 0.02 0.09 -0.01 -0.04 4.32 4.37 2fq2A9 THR 65 HG23 0.01 0.08 -0.14 -0.04 1.22 1.13 2fq2A9 VAL 66 H 0.05 0.16 0.07 -0.55 8.24 7.97 2fq2A9 VAL 66 HA -0.08 0.05 0.32 -0.75 4.13 3.67 2fq2A9 VAL 66 HB 0.02 0.03 0.10 -0.04 2.12 2.23 2fq2A9 VAL 66 HG13 0.00 0.01 -0.02 -0.04 0.97 0.92 2fq2A9 VAL 66 HG23 -0.08 0.01 0.10 -0.04 0.95 0.95 2fq2A9 GLN 67 H 0.01 0.09 -0.44 -0.55 8.47 7.58 2fq2A9 GLN 67 HA 0.01 0.10 0.42 -0.75 4.36 4.13 2fq2A9 GLN 67 HB2 0.02 0.07 0.06 -0.04 2.15 2.25 2fq2A9 GLN 67 HB3 0.01 -0.05 0.08 -0.04 2.02 2.02 2fq2A9 GLN 67 HG2 0.01 0.05 -0.04 -0.04 2.40 2.38 2fq2A9 GLN 67 HG3 0.00 0.01 -0.32 -0.04 2.39 2.04 2fq2A9 GLN 67 HE21 0.00 -0.07 -0.10 -0.04 6.97 6.75 2fq2A9 GLN 67 HE22 0.01 0.04 -0.02 -0.04 7.69 7.67 2fq2A9 ASP 68 H -0.01 0.10 -0.06 -0.55 8.40 7.89 2fq2A9 ASP 68 HA -0.00 0.06 0.34 -0.75 4.63 4.27 2fq2A9 ASP 68 HB2 -0.04 0.15 0.15 -0.04 2.71 2.93 2fq2A9 ASP 68 HB3 -0.02 -0.04 0.03 -0.04 2.70 2.62 2fq2A9 ALA 69 H -0.04 0.65 -0.46 -0.55 8.40 8.01 2fq2A9 ALA 69 HA 0.03 -0.02 0.29 -0.75 4.34 3.88 2fq2A9 ALA 69 HB3 -0.10 0.05 0.02 -0.04 1.41 1.34 2fq2A9 ILE 70 H 0.00 0.57 0.05 -0.55 8.25 8.32 2fq2A9 ILE 70 HA -0.01 -0.09 0.47 -0.75 4.18 3.80 2fq2A9 ILE 70 HB 0.03 -0.26 0.25 -0.04 1.89 1.86 2fq2A9 ILE 70 HG12 0.02 0.05 0.01 -0.04 1.49 1.52 2fq2A9 ILE 70 HG13 -0.01 0.12 -0.21 -0.04 1.21 1.07 2fq2A9 ILE 70 HG23 0.01 0.14 0.16 -0.04 0.93 1.19 2fq2A9 ILE 70 HD13 -0.00 -0.08 0.13 -0.04 0.88 0.88 2fq2A9 ASP 71 H 0.00 0.38 -0.53 -0.55 8.40 7.71 2fq2A9 ASP 71 HA -0.04 0.08 0.51 -0.75 4.63 4.43 2fq2A9 ASP 71 HB2 -0.00 0.15 0.07 -0.04 2.71 2.89 2fq2A9 ASP 71 HB3 0.00 0.03 -0.04 -0.04 2.70 2.65 2fq2A9 TYR 72 H 0.07 0.43 -0.34 -0.55 8.29 7.90 2fq2A9 TYR 72 HA -0.08 0.09 0.58 -0.75 4.56 4.40 2fq2A9 TYR 72 HB2 -0.07 -0.08 0.01 -0.04 3.06 2.88 2fq2A9 TYR 72 HB3 -0.09 0.19 0.22 -0.04 2.98 3.26 2fq2A9 TYR 72 HD2 -0.08 0.04 -0.01 -0.04 7.15 7.06 2fq2A9 TYR 72 HE2 0.01 -0.03 -0.11 -0.04 6.85 6.68 2fq2A9 ILE 73 H -0.37 0.36 -0.03 -0.55 8.25 7.66 2fq2A9 ILE 73 HA -1.17 0.03 0.56 -0.75 4.18 2.84 2fq2A9 ILE 73 HB -1.49 0.04 0.07 -0.04 1.89 0.47 2fq2A9 ILE 73 HG12 -0.12 -0.22 0.06 -0.04 1.49 1.16 2fq2A9 ILE 73 HG13 -0.25 0.20 0.15 -0.04 1.21 1.27 2fq2A9 ILE 73 HG23 -0.37 0.02 0.02 -0.04 0.93 0.56 2fq2A9 ILE 73 HD13 -0.24 0.02 -0.27 -0.04 0.88 0.35 2fq2A9 GLU 74 H -0.24 0.19 -0.25 -0.55 8.60 7.75 2fq2A9 GLU 74 HA -0.18 0.20 0.54 -0.75 4.29 4.10 2fq2A9 GLU 74 HB2 -0.09 -0.03 0.12 -0.04 2.09 2.05 2fq2A9 GLU 74 HB3 -0.08 0.00 0.01 -0.04 1.99 1.89 2fq2A9 GLU 74 HG2 -0.12 -0.05 0.08 -0.04 2.34 2.22 2fq2A9 GLU 74 HG3 -0.05 -0.08 0.01 -0.04 2.34 2.18 2fq2A9 LYS 75 H -0.14 0.15 -0.32 -0.55 8.42 7.56 2fq2A9 LYS 75 HA -0.07 0.07 0.47 -0.75 4.32 4.05 2fq2A9 LYS 75 HB2 -0.03 -0.07 0.07 -0.04 1.87 1.79 2fq2A9 LYS 75 HB3 -0.04 0.10 0.18 -0.04 1.79 1.98 2fq2A9 LYS 75 HG2 -0.06 -0.02 0.22 -0.04 1.46 1.55 2fq2A9 LYS 75 HG3 -0.02 -0.04 -0.18 -0.04 1.46 1.18 2fq2A9 LYS 75 HD2 0.00 0.11 -0.03 -0.04 1.69 1.73 2fq2A9 LYS 75 HD3 0.06 -0.15 0.01 -0.04 1.68 1.56 2fq2A9 LYS 75 HE2 -0.00 0.01 -0.04 -0.04 2.99 2.92 2fq2A9 LYS 75 HE3 -0.00 -0.01 -0.01 -0.04 2.99 2.93 2fq2A9 ASN 76 H -0.20 0.18 -0.33 -0.55 8.53 7.63 2fq2A9 ASN 76 HA -0.07 0.09 0.65 -0.75 4.76 4.67 2fq2A9 ASN 76 HB2 -0.28 0.09 0.23 -0.04 2.88 2.88 2fq2A9 ASN 76 HB3 -0.08 -0.10 -0.02 -0.04 2.79 2.56 2fq2A9 ASN 76 HD21 0.29 -0.06 -0.06 -0.04 7.03 7.16 2fq2A9 ASN 76 HD22 0.18 -0.12 -0.04 -0.04 7.74 7.72 2fq2A9 ASN 77 H -0.39 0.02 0.08 -0.55 8.53 7.69 2fq2A9 ASN 77 HA -0.12 0.04 0.51 -0.75 4.76 4.44 2fq2A9 ASN 77 HB2 -0.25 0.03 0.11 -0.04 2.88 2.73 2fq2A9 ASN 77 HB3 -0.79 0.00 0.25 -0.04 2.79 2.21 2fq2A9 ASN 77 HD21 -0.44 0.23 -0.16 -0.04 7.03 6.61 2fq2A9 ASN 77 HD22 -0.08 0.00 -0.17 -0.04 7.74 7.45 2fq2A9 LYS 78 H -0.06 0.05 0.15 -0.55 8.42 8.01 2fq2A9 LYS 78 HA -0.07 0.14 0.53 -0.75 4.32 4.17 2fq2A9 LYS 78 HB2 -0.04 -0.02 -0.06 -0.04 1.87 1.71 2fq2A9 LYS 78 HB3 -0.03 -0.08 0.19 -0.04 1.79 1.83 2fq2A9 LYS 78 HG2 -0.07 -0.00 0.11 -0.04 1.46 1.46 2fq2A9 LYS 78 HG3 -0.08 0.20 -0.65 -0.04 1.46 0.88 2fq2A9 LYS 78 HD2 -0.03 -0.10 -0.02 -0.04 1.69 1.49 2fq2A9 LYS 78 HD3 -0.04 -0.09 0.01 -0.04 1.68 1.52 2fq2A9 LYS 78 HE2 -0.05 0.18 -0.16 -0.04 2.99 2.91 2fq2A9 LYS 78 HE3 -0.03 -0.14 -0.01 -0.04 2.99 2.77 2fq2A9 GLN 79 H -0.01 0.11 0.05 -0.55 8.47 8.09 2fq2A9 GLN 79 HA 0.01 0.21 0.58 -0.75 4.36 4.40 2fq2A9 GLN 79 HB2 0.02 0.01 0.08 -0.04 2.15 2.22 2fq2A9 GLN 79 HB3 0.00 0.08 -0.16 -0.04 2.02 1.91 2fq2A9 GLN 79 HG2 0.05 0.04 0.09 -0.04 2.40 2.53 2fq2A9 GLN 79 HG3 0.02 0.04 0.03 -0.04 2.39 2.44 2fq2A9 GLN 79 HE21 -0.00 0.05 -0.09 -0.04 6.97 6.89 2fq2A9 GLN 79 HE22 -0.01 0.08 -0.00 -0.04 7.69 7.71