============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. TYR 2 0.840 6.385 -9.697 -3.212 -99.200 -91.000 TRP 19 1.040 2.258 -8.095 -21.024 -99.200 -91.000 TRP6 19 1.020 2.263 -9.835 -19.411 -99.200 -91.000 TYR 20 0.840 -4.921 -10.303 -24.373 -99.200 -91.000 TYR 42 0.840 -11.162 -3.233 -21.243 -99.200 -91.000 TRP 61 1.040 -16.693 3.206 -26.809 -99.200 -91.000 TRP6 61 1.020 -17.864 5.212 -26.321 -99.200 -91.000 PHE 82 1.000 10.181 1.396 -18.348 -99.200 -91.000 TYR 99 0.840 10.242 -12.527 -17.434 -99.200 -91.000 TYR 102 0.840 1.509 -13.278 -12.010 -99.200 -91.000 PHE 105 1.000 0.798 -0.713 -15.341 -99.200 -91.000 PHE 136 1.000 -4.460 -5.517 -9.034 -99.200 -91.000 HIS 146 0.900 -12.529 6.274 -2.385 -99.200 -91.000 PHE 151 1.000 -12.362 -4.282 -16.727 -99.200 -91.000 HIS 161 0.900 -16.668 -10.860 -29.937 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1dv9A11 ALA 1 HA -0.02 -0.14 0.20 -0.75 4.34 3.64 1dv9A11 ALA 1 HB3 0.03 0.00 -0.01 -0.04 1.41 1.40 1dv9A11 TYR 2 H -0.31 -0.01 0.06 -0.55 8.29 7.48 1dv9A11 TYR 2 HA 0.01 0.21 0.62 -0.75 4.56 4.65 1dv9A11 TYR 2 HB2 0.01 -0.01 0.02 -0.04 3.06 3.04 1dv9A11 TYR 2 HB3 0.02 0.17 -0.05 -0.04 2.98 3.08 1dv9A11 TYR 2 HD2 0.01 -0.02 -0.18 -0.04 7.15 6.92 1dv9A11 TYR 2 HE2 0.00 0.04 -0.02 -0.04 6.85 6.83 1dv9A11 VAL 3 H -1.08 0.09 0.15 -0.55 8.24 6.86 1dv9A11 VAL 3 HA -0.26 0.01 0.32 -0.75 4.13 3.45 1dv9A11 VAL 3 HB -0.09 0.02 0.18 -0.04 2.12 2.18 1dv9A11 VAL 3 HG13 -0.21 -0.02 -0.00 -0.04 0.97 0.70 1dv9A11 VAL 3 HG23 -0.05 0.01 -0.24 -0.04 0.95 0.63 1dv9A11 THR 4 H 0.22 -0.04 -0.32 -0.55 8.28 7.59 1dv9A11 THR 4 HA 0.05 0.21 0.74 -0.75 4.39 4.63 1dv9A11 THR 4 HB 0.07 0.02 -0.34 -0.04 4.32 4.03 1dv9A11 THR 4 HG23 0.09 0.04 -0.02 -0.04 1.22 1.29 1dv9A11 GLN 5 H 0.19 -0.02 -0.02 -0.55 8.47 8.07 1dv9A11 GLN 5 HA 0.10 0.02 0.36 -0.75 4.36 4.08 1dv9A11 GLN 5 HB2 0.04 0.16 -0.53 -0.04 2.15 1.78 1dv9A11 GLN 5 HB3 0.04 -0.01 0.11 -0.04 2.02 2.11 1dv9A11 GLN 5 HG2 0.04 -0.03 -0.03 -0.04 2.40 2.34 1dv9A11 GLN 5 HG3 0.01 0.03 -0.12 -0.04 2.39 2.27 1dv9A11 GLN 5 HE21 0.04 -0.01 -0.08 -0.04 6.97 6.88 1dv9A11 GLN 5 HE22 0.02 -0.02 -0.09 -0.04 7.69 7.56 1dv9A11 THR 6 H 0.05 0.53 0.23 -0.55 8.28 8.54 1dv9A11 THR 6 HA 0.05 0.23 0.62 -0.75 4.39 4.54 1dv9A11 THR 6 HB 0.03 -0.03 0.09 -0.04 4.32 4.37 1dv9A11 THR 6 HG23 0.02 0.01 0.07 -0.04 1.22 1.28 1dv9A11 MET 7 H 0.06 0.38 -0.65 -0.55 8.47 7.71 1dv9A11 MET 7 HA 0.03 0.12 0.23 -0.75 4.52 4.15 1dv9A11 MET 7 HB2 0.04 0.03 -0.47 -0.04 2.15 1.71 1dv9A11 MET 7 HB3 0.03 -0.18 0.03 -0.04 2.03 1.88 1dv9A11 MET 7 HG2 -0.00 -0.02 -0.41 -0.04 2.63 2.16 1dv9A11 MET 7 HG3 0.01 -0.07 -0.22 -0.04 2.56 2.23 1dv9A11 MET 7 HE3 -0.10 -0.05 -0.05 -0.04 2.10 1.86 1dv9A11 LYS 8 H 0.03 0.43 0.33 -0.55 8.42 8.66 1dv9A11 LYS 8 HA 0.02 -0.14 0.40 -0.75 4.32 3.84 1dv9A11 LYS 8 HB2 0.03 -0.01 -0.32 -0.04 1.87 1.53 1dv9A11 LYS 8 HB3 0.04 0.25 0.28 -0.04 1.79 2.32 1dv9A11 LYS 8 HG2 0.03 0.02 -0.07 -0.04 1.46 1.40 1dv9A11 LYS 8 HG3 0.02 -0.11 0.03 -0.04 1.46 1.36 1dv9A11 LYS 8 HD2 0.02 -0.02 0.01 -0.04 1.69 1.65 1dv9A11 LYS 8 HD3 0.02 0.07 0.01 -0.04 1.68 1.74 1dv9A11 LYS 8 HE2 0.01 0.02 0.00 -0.04 2.99 2.99 1dv9A11 LYS 8 HE3 0.01 -0.04 -0.00 -0.04 2.99 2.93 1dv9A11 GLY 9 H 0.02 0.01 0.12 -0.55 8.43 8.03 1dv9A11 GLY 9 HA2 0.03 -0.02 0.40 -0.51 4.01 3.90 1dv9A11 GLY 9 HA3 0.03 0.12 0.44 -0.51 4.01 4.09 1dv9A11 LEU 10 H 0.04 0.03 0.06 -0.55 8.37 7.95 1dv9A11 LEU 10 HA 0.09 0.29 0.77 -0.75 4.35 4.75 1dv9A11 LEU 10 HB2 0.07 -0.01 -0.04 -0.04 1.64 1.62 1dv9A11 LEU 10 HB3 0.04 0.07 -0.36 -0.04 1.64 1.34 1dv9A11 LEU 10 HG 0.07 -0.11 -0.33 -0.04 1.64 1.23 1dv9A11 LEU 10 HD13 0.12 0.01 -0.42 -0.04 0.93 0.59 1dv9A11 LEU 10 HD23 0.06 0.01 -0.23 -0.04 0.89 0.68 1dv9A11 ASP 11 H 0.22 0.24 -0.01 -0.55 8.40 8.31 1dv9A11 ASP 11 HA 0.09 0.18 0.94 -0.75 4.63 5.09 1dv9A11 ASP 11 HB2 0.18 0.05 0.11 -0.04 2.71 3.01 1dv9A11 ASP 11 HB3 0.02 -0.08 -0.00 -0.04 2.70 2.61 1dv9A11 ILE 12 H 0.09 0.24 0.01 -0.55 8.25 8.04 1dv9A11 ILE 12 HA 0.13 0.12 0.31 -0.75 4.18 3.99 1dv9A11 ILE 12 HB 0.09 -0.11 0.18 -0.04 1.89 2.01 1dv9A11 ILE 12 HG12 0.10 -0.10 0.05 -0.04 1.49 1.50 1dv9A11 ILE 12 HG13 0.12 0.07 0.07 -0.04 1.21 1.43 1dv9A11 ILE 12 HG23 0.19 0.03 -0.08 -0.04 0.93 1.03 1dv9A11 ILE 12 HD13 0.30 0.01 -0.01 -0.04 0.88 1.14 1dv9A11 GLN 13 H 0.06 0.14 -0.02 -0.55 8.47 8.10 1dv9A11 GLN 13 HA 0.04 0.07 0.29 -0.75 4.36 4.00 1dv9A11 GLN 13 HB2 0.02 0.01 0.05 -0.04 2.15 2.19 1dv9A11 GLN 13 HB3 0.01 -0.02 -0.05 -0.04 2.02 1.92 1dv9A11 GLN 13 HG2 -0.01 0.03 -0.14 -0.04 2.40 2.24 1dv9A11 GLN 13 HG3 0.01 0.03 0.05 -0.04 2.39 2.43 1dv9A11 GLN 13 HE21 0.01 0.00 -0.15 -0.04 6.97 6.80 1dv9A11 GLN 13 HE22 0.01 -0.01 -0.09 -0.04 7.69 7.55 1dv9A11 LYS 14 H 0.04 -0.02 -0.95 -0.55 8.42 6.93 1dv9A11 LYS 14 HA -0.08 0.07 0.40 -0.75 4.32 3.97 1dv9A11 LYS 14 HB2 -0.02 0.04 0.07 -0.04 1.87 1.92 1dv9A11 LYS 14 HB3 -0.42 -0.01 -0.06 -0.04 1.79 1.27 1dv9A11 LYS 14 HG2 -0.23 0.03 -0.01 -0.04 1.46 1.21 1dv9A11 LYS 14 HG3 -0.23 -0.07 -0.02 -0.04 1.46 1.10 1dv9A11 LYS 14 HD2 -0.52 -0.02 -0.02 -0.04 1.69 1.10 1dv9A11 LYS 14 HD3 -1.95 -0.02 -0.03 -0.04 1.68 -0.37 1dv9A11 LYS 14 HE2 -1.12 -0.04 -0.03 -0.04 2.99 1.75 1dv9A11 LYS 14 HE3 -0.39 0.09 0.05 -0.04 2.99 2.70 1dv9A11 VAL 15 H 0.13 0.75 -0.02 -0.55 8.24 8.56 1dv9A11 VAL 15 HA 0.38 -0.03 0.32 -0.75 4.13 4.05 1dv9A11 VAL 15 HB 0.04 -0.07 -0.01 -0.04 2.12 2.04 1dv9A11 VAL 15 HG13 0.09 -0.04 0.01 -0.04 0.97 0.99 1dv9A11 VAL 15 HG23 0.04 -0.08 -0.12 -0.04 0.95 0.74 1dv9A11 ALA 16 H 0.09 0.19 -0.60 -0.55 8.40 7.54 1dv9A11 ALA 16 HA 0.09 0.10 0.35 -0.75 4.34 4.12 1dv9A11 ALA 16 HB3 0.02 -0.01 0.15 -0.04 1.41 1.53 1dv9A11 GLY 17 H 0.07 0.45 0.44 -0.55 8.43 8.85 1dv9A11 GLY 17 HA2 -0.18 -0.08 0.42 -0.51 4.01 3.66 1dv9A11 GLY 17 HA3 -0.31 0.14 0.45 -0.51 4.01 3.78 1dv9A11 THR 18 H -0.38 0.07 0.19 -0.55 8.28 7.61 1dv9A11 THR 18 HA -0.38 -0.00 0.57 -0.75 4.39 3.82 1dv9A11 THR 18 HB -0.51 0.14 0.05 -0.04 4.32 3.96 1dv9A11 THR 18 HG23 -0.20 -0.01 0.07 -0.04 1.22 1.04 1dv9A11 TRP 19 H -0.35 0.47 0.30 -0.55 7.97 7.85 1dv9A11 TRP 19 HA -0.16 0.20 0.67 -0.75 4.62 4.57 1dv9A11 TRP 19 HB2 -0.13 -0.12 -0.06 -0.04 3.23 2.87 1dv9A11 TRP 19 HB3 -0.07 -0.09 -0.15 -0.04 3.23 2.89 1dv9A11 TRP 19 HD1 -0.10 -0.22 0.03 -0.04 7.22 6.88 1dv9A11 TRP 19 HE1 -0.04 0.64 0.07 -0.04 10.20 10.83 1dv9A11 TRP 19 HE3 0.00 -0.07 -0.43 -0.04 7.59 7.05 1dv9A11 TRP 19 HZ2 0.03 -0.00 0.03 -0.04 7.44 7.46 1dv9A11 TRP 19 HZ3 0.02 -0.24 -0.58 -0.04 7.13 6.29 1dv9A11 TRP 19 HH2 -0.05 -0.36 -0.25 -0.04 7.19 6.50 1dv9A11 TYR 20 H 0.09 0.60 0.14 -0.55 8.29 8.58 1dv9A11 TYR 20 HA 0.13 0.27 0.73 -0.75 4.56 4.93 1dv9A11 TYR 20 HB2 0.10 0.01 -0.02 -0.04 3.06 3.10 1dv9A11 TYR 20 HB3 0.10 0.04 0.01 -0.04 2.98 3.08 1dv9A11 TYR 20 HD2 0.04 0.12 -0.16 -0.04 7.15 7.12 1dv9A11 TYR 20 HE2 -0.03 0.07 -0.01 -0.04 6.85 6.84 1dv9A11 SER 21 H 0.19 0.32 0.13 -0.55 8.46 8.56 1dv9A11 SER 21 HA 0.09 0.08 0.61 -0.75 4.49 4.51 1dv9A11 SER 21 HB2 -0.04 0.03 0.08 -0.04 3.95 3.98 1dv9A11 SER 21 HB3 -0.03 -0.03 0.19 -0.04 3.93 4.02 1dv9A11 LEU 22 H 0.06 0.26 0.34 -0.55 8.37 8.48 1dv9A11 LEU 22 HA 0.20 0.20 0.84 -0.75 4.35 4.83 1dv9A11 LEU 22 HB2 0.12 0.13 -0.05 -0.04 1.64 1.80 1dv9A11 LEU 22 HB3 0.03 -0.04 0.05 -0.04 1.64 1.64 1dv9A11 LEU 22 HG 0.04 0.01 -0.30 -0.04 1.64 1.35 1dv9A11 LEU 22 HD13 0.10 0.02 -0.09 -0.04 0.93 0.92 1dv9A11 LEU 22 HD23 0.05 -0.08 -0.02 -0.04 0.89 0.80 1dv9A11 ALA 23 H -0.09 0.21 0.30 -0.55 8.40 8.27 1dv9A11 ALA 23 HA -0.10 0.33 1.01 -0.75 4.34 4.83 1dv9A11 ALA 23 HB3 -0.15 -0.03 0.01 -0.04 1.41 1.20 1dv9A11 MET 24 H -0.05 0.67 0.45 -0.55 8.47 8.99 1dv9A11 MET 24 HA 0.02 0.09 1.04 -0.75 4.52 4.92 1dv9A11 MET 24 HB2 -0.01 -0.09 0.06 -0.04 2.15 2.06 1dv9A11 MET 24 HB3 0.01 0.05 0.19 -0.04 2.03 2.24 1dv9A11 MET 24 HG2 0.03 0.09 -0.12 -0.04 2.63 2.59 1dv9A11 MET 24 HG3 0.09 -0.12 -0.52 -0.04 2.56 1.96 1dv9A11 MET 24 HE3 -0.05 -0.03 0.02 -0.04 2.10 2.00 1dv9A11 ALA 25 H 0.07 0.39 0.39 -0.55 8.40 8.71 1dv9A11 ALA 25 HA 0.02 0.17 0.86 -0.75 4.34 4.64 1dv9A11 ALA 25 HB3 0.01 0.01 0.05 -0.04 1.41 1.44 1dv9A11 ALA 26 H 0.01 0.51 0.32 -0.55 8.40 8.69 1dv9A11 ALA 26 HA -0.01 0.20 1.00 -0.75 4.34 4.77 1dv9A11 ALA 26 HB3 -0.00 0.01 -0.03 -0.04 1.41 1.34 1dv9A11 SER 27 H -0.01 0.62 0.28 -0.55 8.46 8.80 1dv9A11 SER 27 HA 0.04 -0.06 0.48 -0.75 4.49 4.20 1dv9A11 SER 27 HB2 -0.01 -0.03 0.13 -0.04 3.95 3.99 1dv9A11 SER 27 HB3 -0.01 0.16 0.21 -0.04 3.93 4.24 1dv9A11 ASP 28 H -0.03 0.12 -0.24 -0.55 8.40 7.70 1dv9A11 ASP 28 HA -0.18 0.22 0.93 -0.75 4.63 4.85 1dv9A11 ASP 28 HB2 -0.05 0.09 0.01 -0.04 2.71 2.73 1dv9A11 ASP 28 HB3 -0.05 -0.17 -0.05 -0.04 2.70 2.39 1dv9A11 ILE 29 H -0.04 0.26 0.08 -0.55 8.25 7.99 1dv9A11 ILE 29 HA 0.02 0.15 0.28 -0.75 4.18 3.88 1dv9A11 ILE 29 HB 0.02 -0.01 0.02 -0.04 1.89 1.88 1dv9A11 ILE 29 HG12 0.07 0.04 -0.07 -0.04 1.49 1.49 1dv9A11 ILE 29 HG13 0.12 -0.02 -0.01 -0.04 1.21 1.25 1dv9A11 ILE 29 HG23 0.02 0.02 -0.09 -0.04 0.93 0.84 1dv9A11 ILE 29 HD13 0.10 0.02 -0.01 -0.04 0.88 0.95 1dv9A11 SER 30 H -0.02 0.09 -0.25 -0.55 8.46 7.73 1dv9A11 SER 30 HA 0.01 0.12 0.35 -0.75 4.49 4.21 1dv9A11 SER 30 HB2 -0.01 -0.01 0.07 -0.04 3.95 3.96 1dv9A11 SER 30 HB3 -0.01 0.04 -0.06 -0.04 3.93 3.86 1dv9A11 LEU 31 H -0.00 0.30 -0.71 -0.55 8.37 7.41 1dv9A11 LEU 31 HA 0.02 0.11 0.68 -0.75 4.35 4.41 1dv9A11 LEU 31 HB2 0.00 0.10 0.06 -0.04 1.64 1.76 1dv9A11 LEU 31 HB3 0.01 -0.05 0.17 -0.04 1.64 1.73 1dv9A11 LEU 31 HG -0.01 -0.13 -0.06 -0.04 1.64 1.40 1dv9A11 LEU 31 HD13 -0.01 0.02 0.01 -0.04 0.93 0.90 1dv9A11 LEU 31 HD23 0.00 0.02 -0.07 -0.04 0.89 0.80 1dv9A11 LEU 32 H 0.02 0.37 -0.56 -0.55 8.37 7.66 1dv9A11 LEU 32 HA 0.04 0.02 0.29 -0.75 4.35 3.95 1dv9A11 LEU 32 HB2 0.02 -0.04 -0.48 -0.04 1.64 1.09 1dv9A11 LEU 32 HB3 0.02 -0.03 0.03 -0.04 1.64 1.62 1dv9A11 LEU 32 HG 0.04 0.04 -0.14 -0.04 1.64 1.55 1dv9A11 LEU 32 HD13 0.01 -0.01 -0.16 -0.04 0.93 0.74 1dv9A11 LEU 32 HD23 0.04 -0.02 -0.03 -0.04 0.89 0.84 1dv9A11 ASP 33 H 0.03 0.11 0.12 -0.55 8.40 8.11 1dv9A11 ASP 33 HA 0.03 0.17 0.87 -0.75 4.63 4.94 1dv9A11 ASP 33 HB2 0.02 0.15 -0.16 -0.04 2.71 2.68 1dv9A11 ASP 33 HB3 0.02 0.06 -0.04 -0.04 2.70 2.71 1dv9A11 ALA 34 H 0.02 0.11 0.12 -0.55 8.40 8.10 1dv9A11 ALA 34 HA 0.03 0.08 0.30 -0.75 4.34 4.00 1dv9A11 ALA 34 HB3 0.01 0.01 0.11 -0.04 1.41 1.49 1dv9A11 GLN 35 H 0.05 0.14 0.13 -0.55 8.47 8.25 1dv9A11 GLN 35 HA 0.05 0.01 0.35 -0.75 4.36 4.02 1dv9A11 GLN 35 HB2 0.03 -0.08 -0.41 -0.04 2.15 1.65 1dv9A11 GLN 35 HB3 0.03 0.11 0.21 -0.04 2.02 2.33 1dv9A11 GLN 35 HG2 0.03 -0.01 0.13 -0.04 2.40 2.51 1dv9A11 GLN 35 HG3 0.02 -0.02 0.01 -0.04 2.39 2.36 1dv9A11 GLN 35 HE21 0.02 -0.01 0.03 -0.04 6.97 6.97 1dv9A11 GLN 35 HE22 0.02 -0.01 0.03 -0.04 7.69 7.69 1dv9A11 SER 36 H 0.06 0.04 -0.56 -0.55 8.46 7.46 1dv9A11 SER 36 HA 0.06 0.01 0.30 -0.75 4.49 4.10 1dv9A11 SER 36 HB2 0.03 -0.00 -0.30 -0.04 3.95 3.64 1dv9A11 SER 36 HB3 0.04 -0.04 -0.01 -0.04 3.93 3.88 1dv9A11 ALA 37 H 0.04 0.28 0.09 -0.55 8.40 8.27 1dv9A11 ALA 37 HA 0.04 -0.15 0.21 -0.75 4.34 3.70 1dv9A11 ALA 37 HB3 0.07 -0.03 -0.18 -0.04 1.41 1.23 1dv9A11 PRO 38 HA 0.05 0.12 0.31 -0.51 4.44 4.41 1dv9A11 PRO 38 HB2 0.03 0.05 -0.03 -0.04 2.28 2.29 1dv9A11 PRO 38 HB3 0.03 0.03 0.04 -0.04 2.02 2.08 1dv9A11 PRO 38 HG2 0.02 -0.06 0.16 -0.04 2.03 2.12 1dv9A11 PRO 38 HG3 0.02 0.06 0.03 -0.04 2.03 2.11 1dv9A11 PRO 38 HD2 0.03 0.14 0.30 -0.04 3.68 4.11 1dv9A11 PRO 38 HD3 0.03 0.10 -0.01 -0.04 3.65 3.73 1dv9A11 LEU 39 H 0.03 0.20 -0.06 -0.55 8.37 8.00 1dv9A11 LEU 39 HA 0.04 0.08 0.61 -0.75 4.35 4.33 1dv9A11 LEU 39 HB2 0.02 0.01 0.24 -0.04 1.64 1.87 1dv9A11 LEU 39 HB3 0.01 -0.01 0.15 -0.04 1.64 1.75 1dv9A11 LEU 39 HG -0.01 -0.05 0.10 -0.04 1.64 1.64 1dv9A11 LEU 39 HD13 -0.01 -0.01 0.12 -0.04 0.93 0.98 1dv9A11 LEU 39 HD23 0.02 -0.02 -0.01 -0.04 0.89 0.84 1dv9A11 ARG 40 H 0.06 0.20 -1.00 -0.55 8.46 7.16 1dv9A11 ARG 40 HA 0.06 0.15 0.64 -0.75 4.34 4.44 1dv9A11 ARG 40 HB2 0.07 -0.20 -0.09 -0.04 1.90 1.64 1dv9A11 ARG 40 HB3 0.10 0.10 0.11 -0.04 1.80 2.06 1dv9A11 ARG 40 HG2 0.14 0.05 -0.02 -0.04 1.67 1.80 1dv9A11 ARG 40 HG3 0.09 0.04 -0.08 -0.04 1.67 1.69 1dv9A11 ARG 40 HD2 0.09 -0.07 -0.14 -0.04 3.22 3.06 1dv9A11 ARG 40 HD3 0.13 0.01 0.01 -0.04 3.22 3.33 1dv9A11 VAL 41 H 0.05 0.25 -0.67 -0.55 8.24 7.32 1dv9A11 VAL 41 HA 0.11 0.12 0.65 -0.75 4.13 4.25 1dv9A11 VAL 41 HB 0.07 0.10 -0.03 -0.04 2.12 2.23 1dv9A11 VAL 41 HG13 0.08 -0.01 -0.04 -0.04 0.97 0.96 1dv9A11 VAL 41 HG23 0.09 -0.02 -0.16 -0.04 0.95 0.82 1dv9A11 TYR 42 H 0.20 0.38 0.19 -0.55 8.29 8.51 1dv9A11 TYR 42 HA -0.00 0.14 0.86 -0.75 4.56 4.81 1dv9A11 TYR 42 HB2 0.01 0.04 0.24 -0.04 3.06 3.31 1dv9A11 TYR 42 HB3 0.00 -0.02 0.29 -0.04 2.98 3.21 1dv9A11 TYR 42 HD2 -0.07 0.01 0.02 -0.04 7.15 7.06 1dv9A11 TYR 42 HE2 -0.33 0.01 0.03 -0.04 6.85 6.53 1dv9A11 VAL 43 H 0.06 0.26 -0.11 -0.55 8.24 7.90 1dv9A11 VAL 43 HA 0.08 -0.09 0.46 -0.75 4.13 3.83 1dv9A11 VAL 43 HB 0.10 -0.01 -0.01 -0.04 2.12 2.16 1dv9A11 VAL 43 HG13 0.05 0.09 -0.09 -0.04 0.97 0.99 1dv9A11 VAL 43 HG23 0.10 -0.02 -0.05 -0.04 0.95 0.93 1dv9A11 GLU 44 H 0.05 0.45 0.45 -0.55 8.60 9.01 1dv9A11 GLU 44 HA 0.08 0.16 0.97 -0.75 4.29 4.74 1dv9A11 GLU 44 HB2 0.03 -0.06 -0.05 -0.04 2.09 1.96 1dv9A11 GLU 44 HB3 0.09 0.05 -0.02 -0.04 1.99 2.07 1dv9A11 GLU 44 HG2 0.06 -0.13 -0.22 -0.04 2.34 2.01 1dv9A11 GLU 44 HG3 0.02 0.05 0.01 -0.04 2.34 2.38 1dv9A11 GLU 45 H 0.01 0.45 0.40 -0.55 8.60 8.92 1dv9A11 GLU 45 HA 0.00 0.03 0.71 -0.75 4.29 4.27 1dv9A11 GLU 45 HB2 -0.15 0.07 -0.06 -0.04 2.09 1.91 1dv9A11 GLU 45 HB3 -0.04 -0.06 -0.09 -0.04 1.99 1.75 1dv9A11 GLU 45 HG2 -0.01 0.09 -0.20 -0.04 2.34 2.17 1dv9A11 GLU 45 HG3 -0.12 0.14 -0.45 -0.04 2.34 1.87 1dv9A11 LEU 46 H 0.20 0.55 0.28 -0.55 8.37 8.85 1dv9A11 LEU 46 HA 0.01 0.21 1.08 -0.75 4.35 4.90 1dv9A11 LEU 46 HB2 0.20 0.13 -0.07 -0.04 1.64 1.86 1dv9A11 LEU 46 HB3 -0.06 -0.07 -0.04 -0.04 1.64 1.43 1dv9A11 LEU 46 HG 0.15 -0.09 -0.44 -0.04 1.64 1.22 1dv9A11 LEU 46 HD13 -0.47 0.02 -0.15 -0.04 0.93 0.28 1dv9A11 LEU 46 HD23 -0.16 -0.00 -0.12 -0.04 0.89 0.57 1dv9A11 LYS 47 H -0.02 0.41 0.10 -0.55 8.42 8.36 1dv9A11 LYS 47 HA 0.03 0.06 0.48 -0.75 4.32 4.14 1dv9A11 LYS 47 HB2 0.00 0.07 -0.36 -0.04 1.87 1.54 1dv9A11 LYS 47 HB3 -0.01 -0.05 0.07 -0.04 1.79 1.77 1dv9A11 LYS 47 HG2 0.00 0.08 0.03 -0.04 1.46 1.54 1dv9A11 LYS 47 HG3 -0.00 0.00 0.08 -0.04 1.46 1.50 1dv9A11 LYS 47 HD2 -0.01 -0.05 -0.04 -0.04 1.69 1.55 1dv9A11 LYS 47 HD3 -0.00 0.03 -0.03 -0.04 1.68 1.63 1dv9A11 LYS 47 HE2 -0.01 0.04 -0.02 -0.04 2.99 2.96 1dv9A11 LYS 47 HE3 -0.02 -0.03 -0.04 -0.04 2.99 2.86 1dv9A11 PRO 48 HA -0.02 -0.04 0.47 -0.51 4.44 4.33 1dv9A11 PRO 48 HB2 0.04 -0.02 -0.11 -0.04 2.28 2.15 1dv9A11 PRO 48 HB3 0.06 0.24 0.09 -0.04 2.02 2.37 1dv9A11 PRO 48 HG2 0.05 -0.06 -0.64 -0.04 2.03 1.34 1dv9A11 PRO 48 HG3 0.00 0.05 -0.12 -0.04 2.03 1.92 1dv9A11 PRO 48 HD2 0.03 0.17 0.11 -0.04 3.68 3.94 1dv9A11 PRO 48 HD3 0.02 0.13 -0.03 -0.04 3.65 3.73 1dv9A11 THR 49 H 0.04 0.45 0.09 -0.55 8.28 8.31 1dv9A11 THR 49 HA 0.01 0.31 0.88 -0.75 4.39 4.84 1dv9A11 THR 49 HB 0.01 0.03 0.09 -0.04 4.32 4.41 1dv9A11 THR 49 HG23 0.00 0.04 -0.22 -0.04 1.22 1.00 1dv9A11 PRO 50 HA 0.02 0.09 0.33 -0.51 4.44 4.36 1dv9A11 PRO 50 HB2 0.01 0.03 -0.02 -0.04 2.28 2.26 1dv9A11 PRO 50 HB3 0.01 0.05 0.10 -0.04 2.02 2.14 1dv9A11 PRO 50 HG2 0.01 0.05 0.07 -0.04 2.03 2.12 1dv9A11 PRO 50 HG3 0.01 0.07 0.08 -0.04 2.03 2.14 1dv9A11 PRO 50 HD2 0.01 0.09 0.19 -0.04 3.68 3.92 1dv9A11 PRO 50 HD3 0.01 0.23 0.20 -0.04 3.65 4.04 1dv9A11 GLU 51 H 0.02 -0.01 -0.58 -0.55 8.60 7.48 1dv9A11 GLU 51 HA 0.02 0.14 0.51 -0.75 4.29 4.20 1dv9A11 GLU 51 HB2 0.02 -0.07 0.05 -0.04 2.09 2.06 1dv9A11 GLU 51 HB3 0.02 0.01 -0.03 -0.04 1.99 1.96 1dv9A11 GLU 51 HG2 0.01 0.04 0.01 -0.04 2.34 2.36 1dv9A11 GLU 51 HG3 0.01 -0.01 -0.00 -0.04 2.34 2.31 1dv9A11 GLY 52 H 0.04 0.28 -0.09 -0.55 8.43 8.11 1dv9A11 GLY 52 HA2 0.07 0.01 0.32 -0.51 4.01 3.90 1dv9A11 GLY 52 HA3 0.05 0.19 0.89 -0.51 4.01 4.62 1dv9A11 ASP 53 H 0.07 -0.05 -0.04 -0.55 8.40 7.83 1dv9A11 ASP 53 HA 0.20 0.15 0.44 -0.75 4.63 4.67 1dv9A11 ASP 53 HB2 0.04 -0.15 -0.01 -0.04 2.71 2.55 1dv9A11 ASP 53 HB3 0.05 0.07 0.01 -0.04 2.70 2.78 1dv9A11 LEU 54 H -0.01 0.50 0.12 -0.55 8.37 8.44 1dv9A11 LEU 54 HA -0.12 0.07 0.82 -0.75 4.35 4.37 1dv9A11 LEU 54 HB2 -0.92 0.11 -0.20 -0.04 1.64 0.59 1dv9A11 LEU 54 HB3 -0.64 -0.09 0.01 -0.04 1.64 0.87 1dv9A11 LEU 54 HG -0.32 -0.03 -0.55 -0.04 1.64 0.69 1dv9A11 LEU 54 HD13 -0.24 -0.00 -0.19 -0.04 0.93 0.45 1dv9A11 LEU 54 HD23 -0.73 0.00 -0.19 -0.04 0.89 -0.06 1dv9A11 GLU 55 H -0.07 0.28 -0.19 -0.55 8.60 8.08 1dv9A11 GLU 55 HA -0.05 0.31 0.61 -0.75 4.29 4.41 1dv9A11 GLU 55 HB2 -0.02 0.03 0.10 -0.04 2.09 2.15 1dv9A11 GLU 55 HB3 -0.03 -0.01 0.24 -0.04 1.99 2.15 1dv9A11 GLU 55 HG2 -0.02 -0.06 -0.16 -0.04 2.34 2.06 1dv9A11 GLU 55 HG3 -0.02 0.03 -0.11 -0.04 2.34 2.20 1dv9A11 ILE 56 H -0.07 0.51 0.23 -0.55 8.25 8.37 1dv9A11 ILE 56 HA -0.09 0.15 0.77 -0.75 4.18 4.26 1dv9A11 ILE 56 HB -0.06 -0.15 0.23 -0.04 1.89 1.87 1dv9A11 ILE 56 HG12 -0.25 0.02 -0.23 -0.04 1.49 0.99 1dv9A11 ILE 56 HG13 -0.17 0.16 -0.10 -0.04 1.21 1.06 1dv9A11 ILE 56 HG23 -0.09 0.02 -0.17 -0.04 0.93 0.64 1dv9A11 ILE 56 HD13 -0.21 -0.01 -0.11 -0.04 0.88 0.51 1dv9A11 LEU 57 H -0.02 0.50 0.32 -0.55 8.37 8.63 1dv9A11 LEU 57 HA 0.00 0.07 0.58 -0.75 4.35 4.25 1dv9A11 LEU 57 HB2 -0.00 0.19 0.13 -0.04 1.64 1.91 1dv9A11 LEU 57 HB3 0.01 -0.13 0.10 -0.04 1.64 1.57 1dv9A11 LEU 57 HG -0.00 -0.05 -0.13 -0.04 1.64 1.42 1dv9A11 LEU 57 HD13 -0.01 -0.00 -0.11 -0.04 0.93 0.76 1dv9A11 LEU 57 HD23 0.01 -0.01 -0.16 -0.04 0.89 0.68 1dv9A11 LEU 58 H 0.02 0.66 0.44 -0.55 8.37 8.94 1dv9A11 LEU 58 HA 0.06 0.07 0.96 -0.75 4.35 4.68 1dv9A11 LEU 58 HB2 0.07 -0.03 -0.13 -0.04 1.64 1.51 1dv9A11 LEU 58 HB3 0.04 0.00 -0.15 -0.04 1.64 1.50 1dv9A11 LEU 58 HG 0.03 0.26 0.23 -0.04 1.64 2.12 1dv9A11 LEU 58 HD13 0.06 -0.02 -0.28 -0.04 0.93 0.65 1dv9A11 LEU 58 HD23 0.03 -0.02 -0.06 -0.04 0.89 0.80 1dv9A11 GLN 59 H 0.11 0.39 -0.08 -0.55 8.47 8.34 1dv9A11 GLN 59 HA 0.06 0.24 1.14 -0.75 4.36 5.04 1dv9A11 GLN 59 HB2 0.09 0.09 0.11 -0.04 2.15 2.39 1dv9A11 GLN 59 HB3 0.05 0.08 0.05 -0.04 2.02 2.15 1dv9A11 GLN 59 HG2 0.04 0.02 -0.18 -0.04 2.40 2.24 1dv9A11 GLN 59 HG3 0.07 -0.12 -0.31 -0.04 2.39 1.99 1dv9A11 GLN 59 HE21 0.02 0.02 -0.12 -0.04 6.97 6.85 1dv9A11 GLN 59 HE22 0.03 -0.03 -0.08 -0.04 7.69 7.57 1dv9A11 LYS 60 H 0.06 0.41 0.11 -0.55 8.42 8.45 1dv9A11 LYS 60 HA 0.16 0.23 0.97 -0.75 4.32 4.93 1dv9A11 LYS 60 HB2 0.08 -0.04 -0.15 -0.04 1.87 1.72 1dv9A11 LYS 60 HB3 0.08 -0.02 -0.13 -0.04 1.79 1.68 1dv9A11 LYS 60 HG2 0.14 0.05 0.05 -0.04 1.46 1.66 1dv9A11 LYS 60 HG3 0.15 0.08 0.14 -0.04 1.46 1.79 1dv9A11 LYS 60 HD2 0.09 -0.03 -0.10 -0.04 1.69 1.61 1dv9A11 LYS 60 HD3 0.07 -0.07 -0.10 -0.04 1.68 1.55 1dv9A11 LYS 60 HE2 0.07 -0.07 -0.05 -0.04 2.99 2.90 1dv9A11 LYS 60 HE3 0.11 -0.00 -0.02 -0.04 2.99 3.03 1dv9A11 TRP 61 H 0.30 0.25 0.18 -0.55 7.97 8.15 1dv9A11 TRP 61 HA 0.00 0.05 0.86 -0.75 4.62 4.77 1dv9A11 TRP 61 HB2 0.00 0.12 0.08 -0.04 3.23 3.40 1dv9A11 TRP 61 HB3 0.03 0.05 0.15 -0.04 3.23 3.42 1dv9A11 TRP 61 HD1 -0.02 0.17 0.04 -0.04 7.22 7.38 1dv9A11 TRP 61 HE1 -0.00 0.12 0.02 -0.04 10.20 10.30 1dv9A11 TRP 61 HE3 0.02 0.07 -0.10 -0.04 7.59 7.55 1dv9A11 TRP 61 HZ2 0.01 0.10 -0.07 -0.04 7.44 7.44 1dv9A11 TRP 61 HZ3 0.02 0.03 -0.01 -0.04 7.13 7.12 1dv9A11 TRP 61 HH2 0.01 0.05 -0.01 -0.04 7.19 7.20 1dv9A11 GLU 62 H -0.70 -0.00 0.16 -0.55 8.60 7.52 1dv9A11 GLU 62 HA -0.66 0.16 0.68 -0.75 4.29 3.71 1dv9A11 GLU 62 HB2 -0.17 0.02 -0.35 -0.04 2.09 1.55 1dv9A11 GLU 62 HB3 -0.24 0.02 0.05 -0.04 1.99 1.78 1dv9A11 GLU 62 HG2 -0.20 -0.00 -0.05 -0.04 2.34 2.04 1dv9A11 GLU 62 HG3 -0.13 0.09 0.06 -0.04 2.34 2.32 1dv9A11 ASN 63 H -1.28 0.23 0.09 -0.55 8.53 7.02 1dv9A11 ASN 63 HA -0.43 0.07 0.32 -0.75 4.76 3.97 1dv9A11 ASN 63 HB2 -0.26 0.20 -0.10 -0.04 2.88 2.68 1dv9A11 ASN 63 HB3 -0.17 0.05 0.18 -0.04 2.79 2.80 1dv9A11 ASN 63 HD21 -0.09 0.03 0.00 -0.04 7.03 6.93 1dv9A11 ASN 63 HD22 -0.09 0.00 -0.02 -0.04 7.74 7.60 1dv9A11 ASP 64 H -1.56 -0.11 -0.50 -0.55 8.40 5.68 1dv9A11 ASP 64 HA 0.06 0.01 0.26 -0.75 4.63 4.20 1dv9A11 ASP 64 HB2 0.20 -0.10 -0.36 -0.04 2.71 2.41 1dv9A11 ASP 64 HB3 0.04 0.17 0.29 -0.04 2.70 3.15 1dv9A11 GLU 65 H -0.38 0.12 -0.18 -0.55 8.60 7.61 1dv9A11 GLU 65 HA -0.07 0.22 0.83 -0.75 4.29 4.51 1dv9A11 GLU 65 HB2 -0.16 0.04 -0.03 -0.04 2.09 1.90 1dv9A11 GLU 65 HB3 -0.14 -0.05 -0.07 -0.04 1.99 1.69 1dv9A11 GLU 65 HG2 -0.06 0.04 0.03 -0.04 2.34 2.31 1dv9A11 GLU 65 HG3 -0.06 0.02 0.05 -0.04 2.34 2.30 1dv9A11 CYS 66 H -0.19 -0.30 0.07 -0.55 8.50 7.54 1dv9A11 CYS 66 HA 0.00 0.10 0.49 -0.75 4.58 4.41 1dv9A11 CYS 66 HB2 -0.01 0.22 -0.25 -0.04 2.97 2.89 1dv9A11 CYS 66 HB3 0.00 0.03 0.04 -0.04 2.97 3.00 1dv9A11 ALA 67 H -0.02 0.44 0.24 -0.55 8.40 8.51 1dv9A11 ALA 67 HA -0.02 0.22 0.73 -0.75 4.34 4.51 1dv9A11 ALA 67 HB3 -0.03 -0.03 -0.02 -0.04 1.41 1.30 1dv9A11 GLN 68 H -0.00 0.20 0.16 -0.55 8.47 8.28 1dv9A11 GLN 68 HA 0.03 0.31 0.98 -0.75 4.36 4.92 1dv9A11 GLN 68 HB2 0.01 0.02 -0.03 -0.04 2.15 2.11 1dv9A11 GLN 68 HB3 0.01 0.08 -0.18 -0.04 2.02 1.88 1dv9A11 GLN 68 HG2 -0.00 -0.08 0.12 -0.04 2.40 2.40 1dv9A11 GLN 68 HG3 0.00 -0.03 -0.07 -0.04 2.39 2.25 1dv9A11 GLN 68 HE21 -0.01 0.01 -0.08 -0.04 6.97 6.86 1dv9A11 GLN 68 HE22 -0.01 0.01 -0.04 -0.04 7.69 7.61 1dv9A11 LYS 69 H 0.02 0.64 0.29 -0.55 8.42 8.83 1dv9A11 LYS 69 HA 0.01 0.16 0.93 -0.75 4.32 4.66 1dv9A11 LYS 69 HB2 0.02 -0.01 -0.02 -0.04 1.87 1.81 1dv9A11 LYS 69 HB3 0.01 -0.01 -0.12 -0.04 1.79 1.63 1dv9A11 LYS 69 HG2 0.01 0.00 -0.02 -0.04 1.46 1.41 1dv9A11 LYS 69 HG3 0.01 0.11 -0.19 -0.04 1.46 1.34 1dv9A11 LYS 69 HD2 0.02 -0.00 -0.10 -0.04 1.69 1.56 1dv9A11 LYS 69 HD3 0.01 0.01 -0.08 -0.04 1.68 1.58 1dv9A11 LYS 69 HE2 0.02 -0.06 -0.29 -0.04 2.99 2.61 1dv9A11 LYS 69 HE3 0.03 0.01 -0.16 -0.04 2.99 2.83 1dv9A11 LYS 70 H 0.00 0.18 0.06 -0.55 8.42 8.11 1dv9A11 LYS 70 HA -0.01 0.36 0.80 -0.75 4.32 4.71 1dv9A11 LYS 70 HB2 -0.01 -0.02 0.09 -0.04 1.87 1.90 1dv9A11 LYS 70 HB3 -0.01 0.02 -0.13 -0.04 1.79 1.62 1dv9A11 LYS 70 HG2 -0.01 0.04 -0.13 -0.04 1.46 1.32 1dv9A11 LYS 70 HG3 -0.00 -0.01 -0.36 -0.04 1.46 1.05 1dv9A11 LYS 70 HD2 -0.00 -0.03 0.03 -0.04 1.69 1.64 1dv9A11 LYS 70 HD3 -0.00 0.02 -0.06 -0.04 1.68 1.60 1dv9A11 LYS 70 HE2 -0.00 0.03 -0.16 -0.04 2.99 2.81 1dv9A11 LYS 70 HE3 0.00 -0.14 -0.41 -0.04 2.99 2.40 1dv9A11 ILE 71 H -0.02 0.52 0.17 -0.55 8.25 8.38 1dv9A11 ILE 71 HA -0.00 0.03 0.41 -0.75 4.18 3.86 1dv9A11 ILE 71 HB -0.04 -0.01 0.14 -0.04 1.89 1.93 1dv9A11 ILE 71 HG12 0.01 -0.03 -0.05 -0.04 1.49 1.38 1dv9A11 ILE 71 HG13 -0.00 0.15 0.05 -0.04 1.21 1.36 1dv9A11 ILE 71 HG23 -0.01 -0.02 -0.12 -0.04 0.93 0.74 1dv9A11 ILE 71 HD13 0.01 -0.00 -0.04 -0.04 0.88 0.81 1dv9A11 ILE 72 H 0.00 0.11 0.09 -0.55 8.25 7.90 1dv9A11 ILE 72 HA -0.01 0.21 0.76 -0.75 4.18 4.38 1dv9A11 ILE 72 HB 0.01 -0.03 0.20 -0.04 1.89 2.04 1dv9A11 ILE 72 HG12 0.00 -0.01 0.05 -0.04 1.49 1.49 1dv9A11 ILE 72 HG13 0.01 -0.01 0.01 -0.04 1.21 1.17 1dv9A11 ILE 72 HG23 0.02 -0.00 -0.02 -0.04 0.93 0.88 1dv9A11 ILE 72 HD13 -0.00 0.06 -0.20 -0.04 0.88 0.70 1dv9A11 ALA 73 H -0.05 0.52 -0.16 -0.55 8.40 8.17 1dv9A11 ALA 73 HA 0.06 0.09 0.36 -0.75 4.34 4.09 1dv9A11 ALA 73 HB3 -0.13 0.05 -0.04 -0.04 1.41 1.26 1dv9A11 GLU 74 H 0.16 0.61 0.36 -0.55 8.60 9.18 1dv9A11 GLU 74 HA 0.14 0.11 0.91 -0.75 4.29 4.70 1dv9A11 GLU 74 HB2 0.07 0.12 0.15 -0.04 2.09 2.38 1dv9A11 GLU 74 HB3 0.05 0.02 -0.09 -0.04 1.99 1.92 1dv9A11 GLU 74 HG2 0.05 0.05 -0.08 -0.04 2.34 2.32 1dv9A11 GLU 74 HG3 0.03 -0.01 -0.01 -0.04 2.34 2.31 1dv9A11 LYS 75 H 0.04 0.15 0.02 -0.55 8.42 8.08 1dv9A11 LYS 75 HA -0.38 0.20 0.75 -0.75 4.32 4.13 1dv9A11 LYS 75 HB2 -0.21 -0.03 -0.19 -0.04 1.87 1.40 1dv9A11 LYS 75 HB3 -0.26 0.12 -0.04 -0.04 1.79 1.58 1dv9A11 LYS 75 HG2 0.01 -0.07 -0.04 -0.04 1.46 1.32 1dv9A11 LYS 75 HG3 -0.04 0.01 0.07 -0.04 1.46 1.46 1dv9A11 LYS 75 HD2 -0.07 -0.02 -0.07 -0.04 1.69 1.48 1dv9A11 LYS 75 HD3 -0.00 -0.00 0.08 -0.04 1.68 1.71 1dv9A11 LYS 75 HE2 -0.02 -0.03 0.01 -0.04 2.99 2.92 1dv9A11 LYS 75 HE3 -0.02 -0.02 -0.02 -0.04 2.99 2.89 1dv9A11 THR 76 H -0.17 0.24 0.11 -0.55 8.28 7.91 1dv9A11 THR 76 HA -0.04 0.13 0.51 -0.75 4.39 4.24 1dv9A11 THR 76 HB -0.03 0.02 0.00 -0.04 4.32 4.27 1dv9A11 THR 76 HG23 -0.02 0.01 -0.07 -0.04 1.22 1.10 1dv9A11 LYS 77 H -0.10 -0.01 0.09 -0.55 8.42 7.84 1dv9A11 LYS 77 HA -0.05 0.22 0.65 -0.75 4.32 4.38 1dv9A11 LYS 77 HB2 -0.03 0.02 -0.24 -0.04 1.87 1.58 1dv9A11 LYS 77 HB3 -0.04 -0.06 0.03 -0.04 1.79 1.68 1dv9A11 LYS 77 HG2 -0.02 -0.03 -0.02 -0.04 1.46 1.34 1dv9A11 LYS 77 HG3 -0.03 0.01 0.09 -0.04 1.46 1.49 1dv9A11 LYS 77 HD2 -0.02 -0.00 -0.02 -0.04 1.69 1.61 1dv9A11 LYS 77 HD3 -0.02 -0.03 0.02 -0.04 1.68 1.61 1dv9A11 LYS 77 HE2 -0.01 -0.04 0.05 -0.04 2.99 2.94 1dv9A11 LYS 77 HE3 -0.02 -0.02 0.11 -0.04 2.99 3.01 1dv9A11 ILE 78 H -0.09 0.02 0.22 -0.55 8.25 7.85 1dv9A11 ILE 78 HA -0.06 0.30 0.98 -0.75 4.18 4.65 1dv9A11 ILE 78 HB -0.06 -0.08 0.20 -0.04 1.89 1.91 1dv9A11 ILE 78 HG12 -0.04 -0.07 0.07 -0.04 1.49 1.42 1dv9A11 ILE 78 HG13 -0.02 0.06 0.06 -0.04 1.21 1.27 1dv9A11 ILE 78 HG23 -0.02 -0.02 0.13 -0.04 0.93 0.97 1dv9A11 ILE 78 HD13 -0.03 0.02 -0.18 -0.04 0.88 0.66 1dv9A11 PRO 79 HA -0.27 0.16 0.35 -0.51 4.44 4.16 1dv9A11 PRO 79 HB2 0.02 -0.02 -0.06 -0.04 2.28 2.19 1dv9A11 PRO 79 HB3 -0.02 0.06 0.13 -0.04 2.02 2.15 1dv9A11 PRO 79 HG2 -0.00 -0.09 0.13 -0.04 2.03 2.02 1dv9A11 PRO 79 HG3 -0.00 0.11 0.14 -0.04 2.03 2.24 1dv9A11 PRO 79 HD2 -0.04 0.05 0.35 -0.04 3.68 4.00 1dv9A11 PRO 79 HD3 -0.05 0.27 0.24 -0.04 3.65 4.06 1dv9A11 ALA 80 H -0.06 -0.03 -0.48 -0.55 8.40 7.29 1dv9A11 ALA 80 HA 0.07 0.10 0.47 -0.75 4.34 4.22 1dv9A11 ALA 80 HB3 0.02 -0.03 0.14 -0.04 1.41 1.50 1dv9A11 VAL 81 H -0.14 0.34 -0.12 -0.55 8.24 7.77 1dv9A11 VAL 81 HA 0.05 0.29 1.10 -0.75 4.13 4.81 1dv9A11 VAL 81 HB -0.09 -0.14 0.18 -0.04 2.12 2.03 1dv9A11 VAL 81 HG13 0.01 0.00 0.03 -0.04 0.97 0.97 1dv9A11 VAL 81 HG23 -0.01 -0.01 -0.01 -0.04 0.95 0.87 1dv9A11 PHE 82 H 0.15 0.65 0.41 -0.55 8.34 9.00 1dv9A11 PHE 82 HA 0.00 0.22 0.96 -0.75 4.62 5.05 1dv9A11 PHE 82 HB2 -0.01 0.04 -0.04 -0.04 3.15 3.10 1dv9A11 PHE 82 HB3 -0.01 -0.09 -0.10 -0.04 3.06 2.83 1dv9A11 PHE 82 HD2 -0.02 -0.04 -0.47 -0.04 7.28 6.71 1dv9A11 PHE 82 HE2 -0.02 0.12 -0.17 -0.04 7.38 7.26 1dv9A11 PHE 82 HZ -0.01 -0.06 -0.09 -0.04 7.32 7.12 1dv9A11 LYS 83 H 0.17 0.73 0.36 -0.55 8.42 9.13 1dv9A11 LYS 83 HA 0.08 0.36 1.12 -0.75 4.32 5.13 1dv9A11 LYS 83 HB2 0.04 0.12 0.15 -0.04 1.87 2.13 1dv9A11 LYS 83 HB3 0.03 -0.11 -0.02 -0.04 1.79 1.66 1dv9A11 LYS 83 HG2 0.02 -0.03 -0.09 -0.04 1.46 1.32 1dv9A11 LYS 83 HG3 0.06 -0.01 0.16 -0.04 1.46 1.63 1dv9A11 LYS 83 HD2 0.04 -0.05 -0.07 -0.04 1.69 1.57 1dv9A11 LYS 83 HD3 0.04 0.08 -0.45 -0.04 1.68 1.31 1dv9A11 LYS 83 HE2 0.02 0.04 -0.04 -0.04 2.99 2.98 1dv9A11 LYS 83 HE3 0.02 -0.02 -0.06 -0.04 2.99 2.89 1dv9A11 ILE 84 H 0.06 0.41 0.17 -0.55 8.25 8.33 1dv9A11 ILE 84 HA 0.05 0.20 0.80 -0.75 4.18 4.47 1dv9A11 ILE 84 HB 0.03 -0.18 0.03 -0.04 1.89 1.72 1dv9A11 ILE 84 HG12 0.04 -0.05 -0.37 -0.04 1.49 1.07 1dv9A11 ILE 84 HG13 0.05 -0.05 -0.14 -0.04 1.21 1.02 1dv9A11 ILE 84 HG23 0.04 0.02 -0.42 -0.04 0.93 0.53 1dv9A11 ILE 84 HD13 0.07 -0.03 -0.23 -0.04 0.88 0.65 1dv9A11 ASP 85 H 0.03 0.12 -0.07 -0.55 8.40 7.94 1dv9A11 ASP 85 HA 0.03 0.12 0.43 -0.75 4.63 4.46 1dv9A11 ASP 85 HB2 0.02 0.11 -0.26 -0.04 2.71 2.55 1dv9A11 ASP 85 HB3 0.02 0.00 0.11 -0.04 2.70 2.78 1dv9A11 ALA 86 H 0.03 0.04 -0.08 -0.55 8.40 7.83 1dv9A11 ALA 86 HA 0.02 0.24 0.76 -0.75 4.34 4.60 1dv9A11 ALA 86 HB3 0.02 0.03 -0.07 -0.04 1.41 1.35 1dv9A11 LEU 87 H 0.03 0.06 -0.04 -0.55 8.37 7.88 1dv9A11 LEU 87 HA 0.03 0.28 0.82 -0.75 4.35 4.72 1dv9A11 LEU 87 HB2 0.04 0.02 0.07 -0.04 1.64 1.73 1dv9A11 LEU 87 HB3 0.04 0.03 0.13 -0.04 1.64 1.80 1dv9A11 LEU 87 HG 0.04 -0.12 -0.19 -0.04 1.64 1.32 1dv9A11 LEU 87 HD13 0.06 0.03 -0.05 -0.04 0.93 0.93 1dv9A11 LEU 87 HD23 0.04 0.07 -0.06 -0.04 0.89 0.90 1dv9A11 ASN 88 H 0.02 0.15 -0.56 -0.55 8.53 7.60 1dv9A11 ASN 88 HA 0.02 0.04 0.26 -0.75 4.76 4.32 1dv9A11 ASN 88 HB2 0.02 0.19 0.24 -0.04 2.88 3.28 1dv9A11 ASN 88 HB3 0.01 -0.03 -0.00 -0.04 2.79 2.74 1dv9A11 ASN 88 HD21 0.02 0.12 -0.21 -0.04 7.03 6.91 1dv9A11 ASN 88 HD22 0.02 0.02 -0.14 -0.04 7.74 7.59 1dv9A11 GLU 89 H 0.03 0.82 0.07 -0.55 8.60 8.98 1dv9A11 GLU 89 HA 0.03 -0.05 0.16 -0.75 4.29 3.67 1dv9A11 GLU 89 HB2 0.05 0.12 0.02 -0.04 2.09 2.23 1dv9A11 GLU 89 HB3 0.03 0.06 -0.07 -0.04 1.99 1.97 1dv9A11 GLU 89 HG2 0.04 -0.18 -0.13 -0.04 2.34 2.03 1dv9A11 GLU 89 HG3 0.06 -0.02 0.00 -0.04 2.34 2.35 1dv9A11 ASN 90 H 0.03 0.10 0.42 -0.55 8.53 8.54 1dv9A11 ASN 90 HA 0.04 0.19 0.53 -0.75 4.76 4.77 1dv9A11 ASN 90 HB2 0.03 0.06 0.23 -0.04 2.88 3.16 1dv9A11 ASN 90 HB3 0.02 0.06 0.22 -0.04 2.79 3.05 1dv9A11 ASN 90 HD21 0.02 -0.06 -0.06 -0.04 7.03 6.88 1dv9A11 ASN 90 HD22 0.02 0.03 0.02 -0.04 7.74 7.76 1dv9A11 LYS 91 H 0.04 0.32 -0.08 -0.55 8.42 8.15 1dv9A11 LYS 91 HA 0.06 0.29 1.11 -0.75 4.32 5.02 1dv9A11 LYS 91 HB2 0.03 -0.10 -0.03 -0.04 1.87 1.73 1dv9A11 LYS 91 HB3 0.04 -0.09 -0.01 -0.04 1.79 1.69 1dv9A11 LYS 91 HG2 0.04 -0.02 -0.00 -0.04 1.46 1.43 1dv9A11 LYS 91 HG3 0.03 0.10 0.09 -0.04 1.46 1.64 1dv9A11 LYS 91 HD2 0.02 -0.10 -0.06 -0.04 1.69 1.51 1dv9A11 LYS 91 HD3 0.02 0.00 -0.03 -0.04 1.68 1.63 1dv9A11 LYS 91 HE2 0.01 0.03 -0.03 -0.04 2.99 2.96 1dv9A11 LYS 91 HE3 0.02 0.00 -0.06 -0.04 2.99 2.90 1dv9A11 VAL 92 H 0.10 0.36 0.29 -0.55 8.24 8.43 1dv9A11 VAL 92 HA 0.12 0.22 0.94 -0.75 4.13 4.66 1dv9A11 VAL 92 HB 0.18 -0.07 0.03 -0.04 2.12 2.22 1dv9A11 VAL 92 HG13 0.27 0.05 -0.15 -0.04 0.97 1.10 1dv9A11 VAL 92 HG23 0.12 0.01 -0.36 -0.04 0.95 0.68 1dv9A11 LEU 93 H 0.11 0.45 0.30 -0.55 8.37 8.70 1dv9A11 LEU 93 HA 0.11 0.26 1.10 -0.75 4.35 5.06 1dv9A11 LEU 93 HB2 0.07 -0.02 0.03 -0.04 1.64 1.68 1dv9A11 LEU 93 HB3 0.06 0.03 0.06 -0.04 1.64 1.75 1dv9A11 LEU 93 HG 0.04 0.01 -0.04 -0.04 1.64 1.61 1dv9A11 LEU 93 HD13 0.04 0.01 -0.18 -0.04 0.93 0.77 1dv9A11 LEU 93 HD23 0.05 -0.03 -0.10 -0.04 0.89 0.78 1dv9A11 VAL 94 H 0.10 0.37 0.23 -0.55 8.24 8.38 1dv9A11 VAL 94 HA 0.13 0.12 0.90 -0.75 4.13 4.53 1dv9A11 VAL 94 HB 0.06 -0.06 0.00 -0.04 2.12 2.08 1dv9A11 VAL 94 HG13 -0.00 -0.00 -0.22 -0.04 0.97 0.70 1dv9A11 VAL 94 HG23 0.10 0.09 -0.06 -0.04 0.95 1.04 1dv9A11 LEU 95 H 0.09 0.42 0.15 -0.55 8.37 8.48 1dv9A11 LEU 95 HA 0.06 0.46 0.72 -0.75 4.35 4.82 1dv9A11 LEU 95 HB2 0.07 -0.04 -0.07 -0.04 1.64 1.56 1dv9A11 LEU 95 HB3 0.03 -0.03 0.06 -0.04 1.64 1.65 1dv9A11 LEU 95 HG 0.06 -0.01 0.01 -0.04 1.64 1.66 1dv9A11 LEU 95 HD13 0.05 0.00 -0.11 -0.04 0.93 0.83 1dv9A11 LEU 95 HD23 0.04 -0.00 -0.08 -0.04 0.89 0.81 1dv9A11 ASP 96 H 0.01 0.17 0.23 -0.55 8.40 8.27 1dv9A11 ASP 96 HA -0.04 0.17 0.50 -0.75 4.63 4.50 1dv9A11 ASP 96 HB2 -0.18 0.08 -0.32 -0.04 2.71 2.25 1dv9A11 ASP 96 HB3 -0.07 -0.07 -0.11 -0.04 2.70 2.41 1dv9A11 THR 97 H -0.08 0.34 0.16 -0.55 8.28 8.16 1dv9A11 THR 97 HA 0.06 0.04 0.43 -0.75 4.39 4.17 1dv9A11 THR 97 HB -0.19 0.02 0.10 -0.04 4.32 4.21 1dv9A11 THR 97 HG23 -0.19 0.01 -0.12 -0.04 1.22 0.88 1dv9A11 ASP 98 H -0.39 0.22 0.13 -0.55 8.40 7.81 1dv9A11 ASP 98 HA -0.30 0.29 0.87 -0.75 4.63 4.73 1dv9A11 ASP 98 HB2 -0.90 -0.08 0.03 -0.04 2.71 1.72 1dv9A11 ASP 98 HB3 -0.27 -0.00 0.05 -0.04 2.70 2.44 1dv9A11 TYR 99 H -0.14 0.12 -0.29 -0.55 8.29 7.43 1dv9A11 TYR 99 HA 0.28 0.12 0.29 -0.75 4.56 4.50 1dv9A11 TYR 99 HB2 0.03 0.14 0.09 -0.04 3.06 3.27 1dv9A11 TYR 99 HB3 0.06 0.11 0.01 -0.04 2.98 3.12 1dv9A11 TYR 99 HD2 0.07 0.07 -0.16 -0.04 7.15 7.09 1dv9A11 TYR 99 HE2 0.03 0.00 -0.04 -0.04 6.85 6.80 1dv9A11 LYS 100 H 0.15 0.71 0.31 -0.55 8.42 9.04 1dv9A11 LYS 100 HA -0.13 0.25 0.85 -0.75 4.32 4.54 1dv9A11 LYS 100 HB2 0.01 0.00 0.23 -0.04 1.87 2.07 1dv9A11 LYS 100 HB3 -0.05 -0.02 0.18 -0.04 1.79 1.86 1dv9A11 LYS 100 HG2 0.01 0.03 -0.28 -0.04 1.46 1.18 1dv9A11 LYS 100 HG3 0.01 -0.01 0.03 -0.04 1.46 1.44 1dv9A11 LYS 100 HD2 -0.06 -0.05 0.04 -0.04 1.69 1.58 1dv9A11 LYS 100 HD3 -0.12 0.04 0.02 -0.04 1.68 1.57 1dv9A11 LYS 100 HE2 -0.08 0.10 0.00 -0.04 2.99 2.97 1dv9A11 LYS 100 HE3 -0.05 -0.02 -0.00 -0.04 2.99 2.88 1dv9A11 LYS 101 H 0.18 0.22 -0.51 -0.55 8.42 7.75 1dv9A11 LYS 101 HA 0.03 0.12 0.64 -0.75 4.32 4.35 1dv9A11 LYS 101 HB2 -0.57 -0.18 0.00 -0.04 1.87 1.08 1dv9A11 LYS 101 HB3 -0.25 -0.04 -0.01 -0.04 1.79 1.45 1dv9A11 LYS 101 HG2 -0.07 0.08 -0.63 -0.04 1.46 0.80 1dv9A11 LYS 101 HG3 -0.12 -0.03 -0.05 -0.04 1.46 1.22 1dv9A11 LYS 101 HD2 0.02 -0.13 0.22 -0.04 1.69 1.76 1dv9A11 LYS 101 HD3 -0.00 0.20 0.19 -0.04 1.68 2.04 1dv9A11 LYS 101 HE2 0.01 0.02 0.02 -0.04 2.99 3.00 1dv9A11 LYS 101 HE3 0.07 -0.10 0.02 -0.04 2.99 2.94 1dv9A11 TYR 102 H -0.26 0.02 0.13 -0.55 8.29 7.62 1dv9A11 TYR 102 HA 0.40 0.27 0.66 -0.75 4.56 5.13 1dv9A11 TYR 102 HB2 0.03 -0.04 0.24 -0.04 3.06 3.25 1dv9A11 TYR 102 HB3 0.11 0.04 0.08 -0.04 2.98 3.16 1dv9A11 TYR 102 HD2 0.02 0.05 -0.33 -0.04 7.15 6.84 1dv9A11 TYR 102 HE2 -0.02 0.01 -0.19 -0.04 6.85 6.61 1dv9A11 LEU 103 H 0.12 0.37 0.25 -0.55 8.37 8.56 1dv9A11 LEU 103 HA -0.10 0.19 0.73 -0.75 4.35 4.41 1dv9A11 LEU 103 HB2 -1.13 0.15 0.01 -0.04 1.64 0.63 1dv9A11 LEU 103 HB3 -1.13 -0.04 -0.10 -0.04 1.64 0.33 1dv9A11 LEU 103 HG -0.29 0.08 -0.10 -0.04 1.64 1.29 1dv9A11 LEU 103 HD13 -0.59 0.00 -0.08 -0.04 0.93 0.22 1dv9A11 LEU 103 HD23 -0.54 -0.01 -0.23 -0.04 0.89 0.06 1dv9A11 LEU 104 H 0.02 0.54 0.40 -0.55 8.37 8.78 1dv9A11 LEU 104 HA 0.08 0.37 1.26 -0.75 4.35 5.31 1dv9A11 LEU 104 HB2 0.10 -0.07 0.07 -0.04 1.64 1.70 1dv9A11 LEU 104 HB3 0.19 0.11 0.13 -0.04 1.64 2.03 1dv9A11 LEU 104 HG 0.04 0.12 0.18 -0.04 1.64 1.94 1dv9A11 LEU 104 HD13 0.10 -0.00 -0.12 -0.04 0.93 0.87 1dv9A11 LEU 104 HD23 -0.01 -0.00 -0.09 -0.04 0.89 0.75 1dv9A11 PHE 105 H -0.02 0.54 0.39 -0.55 8.34 8.69 1dv9A11 PHE 105 HA 0.01 -0.01 0.75 -0.75 4.62 4.61 1dv9A11 PHE 105 HB2 -0.02 0.14 0.00 -0.04 3.15 3.24 1dv9A11 PHE 105 HB3 -0.07 0.06 -0.21 -0.04 3.06 2.81 1dv9A11 PHE 105 HD2 -0.07 0.01 -0.27 -0.04 7.28 6.92 1dv9A11 PHE 105 HE2 -0.06 0.01 -0.14 -0.04 7.38 7.15 1dv9A11 PHE 105 HZ -0.04 0.00 -0.08 -0.04 7.32 7.16 1dv9A11 CYS 106 H 0.08 0.42 0.34 -0.55 8.50 8.79 1dv9A11 CYS 106 HA -0.16 0.16 1.20 -0.75 4.58 5.03 1dv9A11 CYS 106 HB2 0.01 -0.10 0.10 -0.04 2.97 2.95 1dv9A11 CYS 106 HB3 -0.03 0.21 0.21 -0.04 2.97 3.32 1dv9A11 MET 107 H -0.05 0.55 0.29 -0.55 8.47 8.71 1dv9A11 MET 107 HA 0.07 0.20 1.17 -0.75 4.52 5.20 1dv9A11 MET 107 HB2 0.01 -0.04 0.18 -0.04 2.15 2.26 1dv9A11 MET 107 HB3 0.06 0.06 0.12 -0.04 2.03 2.24 1dv9A11 MET 107 HG2 0.20 0.03 -0.08 -0.04 2.63 2.73 1dv9A11 MET 107 HG3 0.06 -0.09 -0.55 -0.04 2.56 1.94 1dv9A11 MET 107 HE3 0.14 -0.01 -0.05 -0.04 2.10 2.15 1dv9A11 GLU 108 H 0.04 0.39 0.22 -0.55 8.60 8.70 1dv9A11 GLU 108 HA 0.01 0.42 0.95 -0.75 4.29 4.91 1dv9A11 GLU 108 HB2 0.01 -0.12 0.06 -0.04 2.09 1.99 1dv9A11 GLU 108 HB3 0.01 0.11 -0.08 -0.04 1.99 1.99 1dv9A11 GLU 108 HG2 0.03 0.05 -0.04 -0.04 2.34 2.33 1dv9A11 GLU 108 HG3 0.02 -0.17 -0.12 -0.04 2.34 2.03 1dv9A11 ASN 109 H 0.01 0.28 -0.04 -0.55 8.53 8.24 1dv9A11 ASN 109 HA 0.02 0.07 0.87 -0.75 4.76 4.97 1dv9A11 ASN 109 HB2 0.01 0.07 -0.03 -0.04 2.88 2.89 1dv9A11 ASN 109 HB3 0.01 0.01 0.04 -0.04 2.79 2.81 1dv9A11 ASN 109 HD21 0.01 0.08 0.07 -0.04 7.03 7.15 1dv9A11 ASN 109 HD22 0.01 -0.24 0.23 -0.04 7.74 7.70 1dv9A11 SER 110 H 0.02 0.11 -0.49 -0.55 8.46 7.54 1dv9A11 SER 110 HA 0.01 0.06 0.25 -0.75 4.49 4.06 1dv9A11 SER 110 HB2 0.01 0.06 0.07 -0.04 3.95 4.05 1dv9A11 SER 110 HB3 0.01 0.04 -0.04 -0.04 3.93 3.91 1dv9A11 ALA 111 H 0.01 0.28 0.40 -0.55 8.40 8.54 1dv9A11 ALA 111 HA 0.00 0.05 0.41 -0.75 4.34 4.05 1dv9A11 ALA 111 HB3 0.00 0.00 0.13 -0.04 1.41 1.50 1dv9A11 GLU 112 H 0.01 0.35 -0.36 -0.55 8.60 8.05 1dv9A11 GLU 112 HA -0.00 0.24 0.85 -0.75 4.29 4.63 1dv9A11 GLU 112 HB2 0.00 0.05 0.08 -0.04 2.09 2.18 1dv9A11 GLU 112 HB3 -0.00 -0.10 0.09 -0.04 1.99 1.93 1dv9A11 GLU 112 HG2 -0.00 -0.00 -0.00 -0.04 2.34 2.29 1dv9A11 GLU 112 HG3 0.00 0.04 -0.15 -0.04 2.34 2.19 1dv9A11 PRO 113 HA 0.00 -0.07 0.41 -0.51 4.44 4.26 1dv9A11 PRO 113 HB2 -0.00 0.08 -0.04 -0.04 2.28 2.27 1dv9A11 PRO 113 HB3 0.00 0.05 0.02 -0.04 2.02 2.06 1dv9A11 PRO 113 HG2 -0.00 -0.08 0.12 -0.04 2.03 2.03 1dv9A11 PRO 113 HG3 0.00 0.15 0.04 -0.04 2.03 2.18 1dv9A11 PRO 113 HD2 -0.00 0.12 0.18 -0.04 3.68 3.93 1dv9A11 PRO 113 HD3 0.00 0.51 -0.52 -0.04 3.65 3.60 1dv9A11 GLU 114 H -0.01 0.25 0.03 -0.55 8.60 8.33 1dv9A11 GLU 114 HA -0.01 0.14 0.44 -0.75 4.29 4.10 1dv9A11 GLU 114 HB2 -0.01 0.06 0.06 -0.04 2.09 2.15 1dv9A11 GLU 114 HB3 -0.01 0.05 0.11 -0.04 1.99 2.10 1dv9A11 GLU 114 HG2 -0.01 -0.20 0.04 -0.04 2.34 2.13 1dv9A11 GLU 114 HG3 -0.01 0.05 -0.09 -0.04 2.34 2.25 1dv9A11 GLN 115 H -0.01 -0.01 -0.64 -0.55 8.47 7.27 1dv9A11 GLN 115 HA -0.02 0.16 0.56 -0.75 4.36 4.31 1dv9A11 GLN 115 HB2 -0.01 -0.08 -0.01 -0.04 2.15 2.01 1dv9A11 GLN 115 HB3 -0.01 0.07 -0.10 -0.04 2.02 1.94 1dv9A11 GLN 115 HG2 -0.01 0.01 -0.01 -0.04 2.40 2.35 1dv9A11 GLN 115 HG3 -0.01 0.01 0.05 -0.04 2.39 2.40 1dv9A11 GLN 115 HE21 -0.01 0.00 -0.03 -0.04 6.97 6.90 1dv9A11 GLN 115 HE22 -0.01 0.02 -0.04 -0.04 7.69 7.61 1dv9A11 SER 116 H -0.01 0.15 -0.38 -0.55 8.46 7.67 1dv9A11 SER 116 HA -0.00 0.19 0.83 -0.75 4.49 4.75 1dv9A11 SER 116 HB2 0.00 -0.01 -0.06 -0.04 3.95 3.84 1dv9A11 SER 116 HB3 0.01 -0.23 0.16 -0.04 3.93 3.83 1dv9A11 LEU 117 H -0.01 0.07 -0.23 -0.55 8.37 7.65 1dv9A11 LEU 117 HA -0.01 0.06 0.64 -0.75 4.35 4.28 1dv9A11 LEU 117 HB2 -0.01 0.03 0.24 -0.04 1.64 1.86 1dv9A11 LEU 117 HB3 -0.02 -0.10 0.20 -0.04 1.64 1.69 1dv9A11 LEU 117 HG -0.01 -0.03 -0.04 -0.04 1.64 1.52 1dv9A11 LEU 117 HD13 -0.02 0.01 -0.12 -0.04 0.93 0.76 1dv9A11 LEU 117 HD23 -0.01 -0.05 -0.19 -0.04 0.89 0.61 1dv9A11 VAL 118 H -0.02 0.58 0.56 -0.55 8.24 8.82 1dv9A11 VAL 118 HA -0.03 0.12 1.11 -0.75 4.13 4.58 1dv9A11 VAL 118 HB -0.05 0.02 0.22 -0.04 2.12 2.27 1dv9A11 VAL 118 HG13 -0.01 -0.01 -0.02 -0.04 0.97 0.89 1dv9A11 VAL 118 HG23 -0.02 0.02 0.18 -0.04 0.95 1.09 1dv9A11 CYS 119 H -0.05 0.63 0.47 -0.55 8.50 8.99 1dv9A11 CYS 119 HA -0.25 0.16 0.76 -0.75 4.58 4.50 1dv9A11 CYS 119 HB2 -0.06 0.07 -0.31 -0.04 2.97 2.63 1dv9A11 CYS 119 HB3 -0.03 -0.01 -0.08 -0.04 2.97 2.81 1dv9A11 GLN 120 H -0.40 0.50 0.42 -0.55 8.47 8.44 1dv9A11 GLN 120 HA 0.10 0.09 0.87 -0.75 4.36 4.66 1dv9A11 GLN 120 HB2 -0.13 0.24 0.42 -0.04 2.15 2.64 1dv9A11 GLN 120 HB3 -0.12 -0.04 0.05 -0.04 2.02 1.87 1dv9A11 GLN 120 HG2 -0.83 -0.02 0.11 -0.04 2.40 1.62 1dv9A11 GLN 120 HG3 -0.03 0.06 -0.11 -0.04 2.39 2.26 1dv9A11 GLN 120 HE21 -0.27 -0.11 -0.03 -0.04 6.97 6.52 1dv9A11 GLN 120 HE22 -0.05 0.03 0.05 -0.04 7.69 7.67 1dv9A11 CYS 121 H -0.61 0.55 0.37 -0.55 8.50 8.27 1dv9A11 CYS 121 HA -0.18 0.17 1.12 -0.75 4.58 4.94 1dv9A11 CYS 121 HB2 -0.33 0.01 0.07 -0.04 2.97 2.67 1dv9A11 CYS 121 HB3 -0.76 -0.03 0.03 -0.04 2.97 2.16 1dv9A11 LEU 122 H -0.04 0.25 0.29 -0.55 8.37 8.33 1dv9A11 LEU 122 HA 0.11 0.25 0.98 -0.75 4.35 4.94 1dv9A11 LEU 122 HB2 -0.18 0.22 0.11 -0.04 1.64 1.75 1dv9A11 LEU 122 HB3 0.18 -0.01 -0.14 -0.04 1.64 1.64 1dv9A11 LEU 122 HG -0.01 -0.01 -0.21 -0.04 1.64 1.37 1dv9A11 LEU 122 HD13 0.23 0.06 -0.70 -0.04 0.93 0.48 1dv9A11 LEU 122 HD23 0.16 -0.03 -0.33 -0.04 0.89 0.65 1dv9A11 VAL 123 H 0.37 0.53 0.22 -0.55 8.24 8.81 1dv9A11 VAL 123 HA 0.45 0.12 0.96 -0.75 4.13 4.91 1dv9A11 VAL 123 HB 0.21 0.02 0.06 -0.04 2.12 2.38 1dv9A11 VAL 123 HG13 0.19 -0.03 0.01 -0.04 0.97 1.10 1dv9A11 VAL 123 HG23 0.21 0.05 0.03 -0.04 0.95 1.19 1dv9A11 ARG 124 H 0.20 0.34 0.04 -0.55 8.46 8.48 1dv9A11 ARG 124 HA -0.41 0.36 0.49 -0.75 4.34 4.02 1dv9A11 ARG 124 HB2 -0.28 -0.15 -0.09 -0.04 1.90 1.34 1dv9A11 ARG 124 HB3 -0.09 -0.04 -0.06 -0.04 1.80 1.56 1dv9A11 ARG 124 HG2 -0.74 0.22 0.07 -0.04 1.67 1.18 1dv9A11 ARG 124 HG3 -0.30 -0.07 0.01 -0.04 1.67 1.27 1dv9A11 ARG 124 HD2 -0.10 -0.04 -0.27 -0.04 3.22 2.77 1dv9A11 ARG 124 HD3 -0.19 0.03 0.01 -0.04 3.22 3.03 1dv9A11 THR 125 H 0.08 -0.00 0.00 -0.55 8.28 7.82 1dv9A11 THR 125 HA 0.05 0.12 0.43 -0.75 4.39 4.24 1dv9A11 THR 125 HB 0.04 0.00 -0.18 -0.04 4.32 4.15 1dv9A11 THR 125 HG23 0.02 0.01 0.00 -0.04 1.22 1.21 1dv9A11 PRO 126 HA -0.49 0.15 0.37 -0.51 4.44 3.96 1dv9A11 PRO 126 HB2 -0.24 0.01 0.23 -0.04 2.28 2.24 1dv9A11 PRO 126 HB3 -0.55 0.05 0.12 -0.04 2.02 1.60 1dv9A11 PRO 126 HG2 -0.08 -0.01 0.05 -0.04 2.03 1.95 1dv9A11 PRO 126 HG3 -0.10 0.02 0.09 -0.04 2.03 2.01 1dv9A11 PRO 126 HD2 -0.01 0.02 0.12 -0.04 3.68 3.76 1dv9A11 PRO 126 HD3 0.01 0.19 0.20 -0.04 3.65 4.00 1dv9A11 GLU 127 H 0.03 0.81 -0.22 -0.55 8.60 8.67 1dv9A11 GLU 127 HA 0.02 0.08 0.27 -0.75 4.29 3.90 1dv9A11 GLU 127 HB2 0.02 -0.19 0.19 -0.04 2.09 2.07 1dv9A11 GLU 127 HB3 -0.01 0.28 -0.11 -0.04 1.99 2.10 1dv9A11 GLU 127 HG2 0.02 -0.11 -0.42 -0.04 2.34 1.80 1dv9A11 GLU 127 HG3 0.03 0.28 -0.20 -0.04 2.34 2.42 1dv9A11 VAL 128 H 0.04 0.07 0.10 -0.55 8.24 7.91 1dv9A11 VAL 128 HA 0.07 0.17 0.62 -0.75 4.13 4.23 1dv9A11 VAL 128 HB 0.06 0.12 0.05 -0.04 2.12 2.31 1dv9A11 VAL 128 HG13 0.04 -0.01 -0.02 -0.04 0.97 0.93 1dv9A11 VAL 128 HG23 0.04 -0.01 -0.08 -0.04 0.95 0.86 1dv9A11 ASP 129 H 0.06 0.21 0.12 -0.55 8.40 8.24 1dv9A11 ASP 129 HA 0.06 0.18 0.78 -0.75 4.63 4.90 1dv9A11 ASP 129 HB2 0.10 0.22 -0.19 -0.04 2.71 2.79 1dv9A11 ASP 129 HB3 0.13 -0.10 0.15 -0.04 2.70 2.84 1dv9A11 ASP 130 H 0.05 0.29 0.11 -0.55 8.40 8.31 1dv9A11 ASP 130 HA 0.03 0.08 0.35 -0.75 4.63 4.33 1dv9A11 ASP 130 HB2 0.04 0.03 0.13 -0.04 2.71 2.87 1dv9A11 ASP 130 HB3 0.03 0.06 0.01 -0.04 2.70 2.76 1dv9A11 GLU 131 H 0.08 0.02 -0.73 -0.55 8.60 7.43 1dv9A11 GLU 131 HA 0.02 0.15 0.65 -0.75 4.29 4.36 1dv9A11 GLU 131 HB2 0.17 -0.01 0.04 -0.04 2.09 2.25 1dv9A11 GLU 131 HB3 0.36 0.04 -0.08 -0.04 1.99 2.27 1dv9A11 GLU 131 HG2 0.14 0.01 0.04 -0.04 2.34 2.49 1dv9A11 GLU 131 HG3 0.10 -0.00 -0.04 -0.04 2.34 2.36 1dv9A11 ALA 132 H 0.06 0.45 0.05 -0.55 8.40 8.42 1dv9A11 ALA 132 HA -0.30 0.08 0.53 -0.75 4.34 3.90 1dv9A11 ALA 132 HB3 0.06 0.03 0.08 -0.04 1.41 1.54 1dv9A11 LEU 133 H 0.01 0.25 -0.23 -0.55 8.37 7.86 1dv9A11 LEU 133 HA 0.07 0.13 0.43 -0.75 4.35 4.22 1dv9A11 LEU 133 HB2 0.03 -0.03 0.00 -0.04 1.64 1.60 1dv9A11 LEU 133 HB3 0.02 0.07 -0.06 -0.04 1.64 1.63 1dv9A11 LEU 133 HG 0.05 0.03 -0.02 -0.04 1.64 1.65 1dv9A11 LEU 133 HD13 0.03 -0.00 -0.09 -0.04 0.93 0.83 1dv9A11 LEU 133 HD23 0.02 0.00 -0.07 -0.04 0.89 0.81 1dv9A11 GLU 134 H -0.01 0.30 -0.20 -0.55 8.60 8.15 1dv9A11 GLU 134 HA -0.00 0.09 0.39 -0.75 4.29 4.01 1dv9A11 GLU 134 HB2 -0.02 0.13 0.23 -0.04 2.09 2.40 1dv9A11 GLU 134 HB3 -0.02 0.02 -0.02 -0.04 1.99 1.94 1dv9A11 GLU 134 HG2 0.00 0.00 0.02 -0.04 2.34 2.33 1dv9A11 GLU 134 HG3 0.01 -0.03 0.04 -0.04 2.34 2.32 1dv9A11 LYS 135 H -0.13 0.39 -0.11 -0.55 8.42 8.02 1dv9A11 LYS 135 HA -0.08 0.06 0.33 -0.75 4.32 3.89 1dv9A11 LYS 135 HB2 -0.45 0.23 0.15 -0.04 1.87 1.76 1dv9A11 LYS 135 HB3 -0.25 -0.00 -0.09 -0.04 1.79 1.40 1dv9A11 LYS 135 HG2 -0.24 -0.02 -0.07 -0.04 1.46 1.09 1dv9A11 LYS 135 HG3 -0.14 0.00 0.00 -0.04 1.46 1.28 1dv9A11 LYS 135 HD2 -0.79 0.05 -0.01 -0.04 1.69 0.90 1dv9A11 LYS 135 HD3 -0.00 -0.00 -0.05 -0.04 1.68 1.59 1dv9A11 LYS 135 HE2 -0.07 -0.04 -0.02 -0.04 2.99 2.83 1dv9A11 LYS 135 HE3 -0.10 0.07 0.10 -0.04 2.99 3.02 1dv9A11 PHE 136 H 0.04 0.35 -0.33 -0.55 8.34 7.85 1dv9A11 PHE 136 HA -0.08 -0.01 0.31 -0.75 4.62 4.07 1dv9A11 PHE 136 HB2 -0.09 0.19 0.16 -0.04 3.15 3.38 1dv9A11 PHE 136 HB3 -0.06 0.07 0.02 -0.04 3.06 3.05 1dv9A11 PHE 136 HD2 -0.06 -0.02 -0.09 -0.04 7.28 7.08 1dv9A11 PHE 136 HE2 -0.08 0.04 -0.30 -0.04 7.38 7.01 1dv9A11 PHE 136 HZ -0.09 0.16 -0.21 -0.04 7.32 7.14 1dv9A11 ASP 137 H 0.03 0.36 -0.59 -0.55 8.40 7.65 1dv9A11 ASP 137 HA -0.13 0.06 0.52 -0.75 4.63 4.33 1dv9A11 ASP 137 HB2 -0.00 0.26 0.22 -0.04 2.71 3.14 1dv9A11 ASP 137 HB3 -0.03 -0.04 -0.04 -0.04 2.70 2.56 1dv9A11 LYS 138 H -0.03 0.51 -0.06 -0.55 8.42 8.30 1dv9A11 LYS 138 HA -0.01 0.06 0.51 -0.75 4.32 4.13 1dv9A11 LYS 138 HB2 0.01 0.05 0.14 -0.04 1.87 2.03 1dv9A11 LYS 138 HB3 0.07 -0.05 0.02 -0.04 1.79 1.80 1dv9A11 LYS 138 HG2 0.01 -0.01 -0.00 -0.04 1.46 1.42 1dv9A11 LYS 138 HG3 0.00 0.09 -0.06 -0.04 1.46 1.45 1dv9A11 LYS 138 HD2 0.08 0.00 -0.03 -0.04 1.69 1.69 1dv9A11 LYS 138 HD3 0.03 -0.01 -0.03 -0.04 1.68 1.63 1dv9A11 LYS 138 HE2 0.01 -0.03 -0.09 -0.04 2.99 2.84 1dv9A11 LYS 138 HE3 -0.00 -0.04 -0.22 -0.04 2.99 2.69 1dv9A11 ALA 139 H -0.06 0.41 -0.31 -0.55 8.40 7.89 1dv9A11 ALA 139 HA 0.04 0.09 0.61 -0.75 4.34 4.33 1dv9A11 ALA 139 HB3 -0.03 0.00 0.00 -0.04 1.41 1.34 1dv9A11 LEU 140 H -0.19 0.30 -0.21 -0.55 8.37 7.73 1dv9A11 LEU 140 HA -0.15 0.09 0.63 -0.75 4.35 4.18 1dv9A11 LEU 140 HB2 -0.37 0.18 0.14 -0.04 1.64 1.55 1dv9A11 LEU 140 HB3 -0.20 0.03 -0.05 -0.04 1.64 1.37 1dv9A11 LEU 140 HG -0.22 0.09 -0.02 -0.04 1.64 1.44 1dv9A11 LEU 140 HD13 -0.28 -0.05 -0.21 -0.04 0.93 0.35 1dv9A11 LEU 140 HD23 -0.75 -0.02 -0.08 -0.04 0.89 0.00 1dv9A11 LYS 141 H -0.08 0.20 -0.34 -0.55 8.42 7.65 1dv9A11 LYS 141 HA -0.06 0.06 0.37 -0.75 4.32 3.93 1dv9A11 LYS 141 HB2 -0.03 -0.08 0.10 -0.04 1.87 1.81 1dv9A11 LYS 141 HB3 -0.04 0.29 0.19 -0.04 1.79 2.18 1dv9A11 LYS 141 HG2 -0.02 0.23 -0.05 -0.04 1.46 1.58 1dv9A11 LYS 141 HG3 -0.02 -0.03 -0.36 -0.04 1.46 1.01 1dv9A11 LYS 141 HD2 -0.02 -0.06 -0.02 -0.04 1.69 1.56 1dv9A11 LYS 141 HD3 -0.01 -0.04 0.04 -0.04 1.68 1.62 1dv9A11 LYS 141 HE2 -0.01 0.01 -0.01 -0.04 2.99 2.94 1dv9A11 LYS 141 HE3 -0.00 -0.07 -0.00 -0.04 2.99 2.87 1dv9A11 ALA 142 H -0.05 0.05 -0.74 -0.55 8.40 7.12 1dv9A11 ALA 142 HA -0.03 0.14 0.77 -0.75 4.34 4.47 1dv9A11 ALA 142 HB3 -0.02 -0.01 -0.02 -0.04 1.41 1.31 1dv9A11 LEU 143 H -0.05 0.11 -0.19 -0.55 8.37 7.68 1dv9A11 LEU 143 HA -0.03 0.13 0.89 -0.75 4.35 4.59 1dv9A11 LEU 143 HB2 -0.05 0.10 0.04 -0.04 1.64 1.69 1dv9A11 LEU 143 HB3 -0.03 -0.09 0.08 -0.04 1.64 1.56 1dv9A11 LEU 143 HG -0.07 0.04 0.19 -0.04 1.64 1.75 1dv9A11 LEU 143 HD13 -0.05 -0.04 -0.05 -0.04 0.93 0.75 1dv9A11 LEU 143 HD23 -0.02 -0.08 -0.14 -0.04 0.89 0.61 1dv9A11 PRO 144 HA -0.03 0.14 0.44 -0.51 4.44 4.49 1dv9A11 PRO 144 HB2 0.00 -0.07 0.13 -0.04 2.28 2.31 1dv9A11 PRO 144 HB3 -0.01 0.03 0.10 -0.04 2.02 2.10 1dv9A11 PRO 144 HG2 -0.02 0.01 -0.07 -0.04 2.03 1.92 1dv9A11 PRO 144 HG3 -0.01 -0.00 0.05 -0.04 2.03 2.02 1dv9A11 PRO 144 HD2 -0.03 0.06 0.13 -0.04 3.68 3.81 1dv9A11 PRO 144 HD3 -0.02 0.12 0.16 -0.04 3.65 3.87 1dv9A11 MET 145 H -0.00 0.19 0.13 -0.55 8.47 8.24 1dv9A11 MET 145 HA -0.00 -0.02 0.26 -0.75 4.52 4.00 1dv9A11 MET 145 HB2 -0.05 -0.07 -0.14 -0.04 2.15 1.85 1dv9A11 MET 145 HB3 -0.07 0.18 0.17 -0.04 2.03 2.27 1dv9A11 MET 145 HG2 -0.07 0.30 -0.46 -0.04 2.63 2.36 1dv9A11 MET 145 HG3 -0.05 -0.13 -0.29 -0.04 2.56 2.05 1dv9A11 MET 145 HE3 -0.06 0.01 -0.10 -0.04 2.10 1.92 1dv9A11 HIS 146 H 0.06 0.14 0.12 -0.55 8.41 8.20 1dv9A11 HIS 146 HA -0.03 0.19 0.99 -0.75 4.63 5.04 1dv9A11 HIS 146 HB2 -0.02 0.01 0.15 -0.04 3.26 3.35 1dv9A11 HIS 146 HB3 -0.02 -0.07 -0.10 -0.04 3.20 2.97 1dv9A11 HIS 146 HD2 -0.02 -0.01 0.06 -0.04 6.97 6.96 1dv9A11 HIS 146 HE1 -0.01 -0.05 0.05 -0.04 7.75 7.70 1dv9A11 ILE 147 H 0.06 0.29 0.27 -0.55 8.25 8.32 1dv9A11 ILE 147 HA -0.01 0.18 0.80 -0.75 4.18 4.40 1dv9A11 ILE 147 HB 0.06 0.01 -0.18 -0.04 1.89 1.74 1dv9A11 ILE 147 HG12 -0.01 -0.01 -0.30 -0.04 1.49 1.13 1dv9A11 ILE 147 HG13 -0.01 -0.00 0.06 -0.04 1.21 1.22 1dv9A11 ILE 147 HG23 0.03 0.03 -0.16 -0.04 0.93 0.80 1dv9A11 ILE 147 HD13 0.01 0.00 -0.06 -0.04 0.88 0.79 1dv9A11 ARG 148 H -0.03 0.22 0.13 -0.55 8.46 8.23 1dv9A11 ARG 148 HA -0.01 0.26 1.08 -0.75 4.34 4.92 1dv9A11 ARG 148 HB2 -0.03 0.00 -0.12 -0.04 1.90 1.71 1dv9A11 ARG 148 HB3 -0.03 -0.04 0.08 -0.04 1.80 1.76 1dv9A11 ARG 148 HG2 0.01 -0.00 -0.24 -0.04 1.67 1.40 1dv9A11 ARG 148 HG3 0.06 0.09 0.06 -0.04 1.67 1.84 1dv9A11 ARG 148 HD2 0.04 -0.00 -0.09 -0.04 3.22 3.13 1dv9A11 ARG 148 HD3 -0.02 -0.01 -0.07 -0.04 3.22 3.08 1dv9A11 LEU 149 H -0.06 0.49 0.15 -0.55 8.37 8.40 1dv9A11 LEU 149 HA -0.22 0.13 0.89 -0.75 4.35 4.39 1dv9A11 LEU 149 HB2 -0.13 -0.02 0.03 -0.04 1.64 1.48 1dv9A11 LEU 149 HB3 -0.50 0.00 -0.01 -0.04 1.64 1.10 1dv9A11 LEU 149 HG -0.07 0.05 -0.05 -0.04 1.64 1.53 1dv9A11 LEU 149 HD13 -0.62 -0.00 -0.10 -0.04 0.93 0.17 1dv9A11 LEU 149 HD23 -0.07 -0.00 -0.10 -0.04 0.89 0.67 1dv9A11 SER 150 H -0.30 0.21 0.12 -0.55 8.46 7.95 1dv9A11 SER 150 HA -0.24 0.25 1.08 -0.75 4.49 4.83 1dv9A11 SER 150 HB2 -0.09 -0.01 -0.05 -0.04 3.95 3.76 1dv9A11 SER 150 HB3 -0.07 -0.03 0.08 -0.04 3.93 3.86 1dv9A11 PHE 151 H -0.20 0.48 0.16 -0.55 8.34 8.22 1dv9A11 PHE 151 HA 0.04 0.01 0.66 -0.75 4.62 4.58 1dv9A11 PHE 151 HB2 0.07 0.12 0.07 -0.04 3.15 3.37 1dv9A11 PHE 151 HB3 0.12 -0.05 -0.04 -0.04 3.06 3.05 1dv9A11 PHE 151 HD2 0.03 0.05 -0.18 -0.04 7.28 7.14 1dv9A11 PHE 151 HE2 -0.08 -0.02 -0.19 -0.04 7.38 7.05 1dv9A11 PHE 151 HZ -0.18 0.01 -0.13 -0.04 7.32 6.98 1dv9A11 ASN 152 H 0.17 0.05 0.17 -0.55 8.53 8.37 1dv9A11 ASN 152 HA 0.07 0.22 0.65 -0.75 4.76 4.96 1dv9A11 ASN 152 HB2 0.06 0.01 0.16 -0.04 2.88 3.07 1dv9A11 ASN 152 HB3 0.05 -0.13 0.10 -0.04 2.79 2.76 1dv9A11 ASN 152 HD21 0.03 -0.00 0.04 -0.04 7.03 7.05 1dv9A11 ASN 152 HD22 0.02 0.02 0.01 -0.04 7.74 7.75 1dv9A11 PRO 153 HA 0.03 0.12 0.38 -0.51 4.44 4.47 1dv9A11 PRO 153 HB2 0.01 -0.03 0.13 -0.04 2.28 2.35 1dv9A11 PRO 153 HB3 0.01 0.10 0.12 -0.04 2.02 2.22 1dv9A11 PRO 153 HG2 0.02 0.06 0.12 -0.04 2.03 2.19 1dv9A11 PRO 153 HG3 0.03 0.03 0.14 -0.04 2.03 2.19 1dv9A11 PRO 153 HD2 0.03 0.08 0.22 -0.04 3.68 3.97 1dv9A11 PRO 153 HD3 0.04 0.17 0.23 -0.04 3.65 4.05 1dv9A11 THR 154 H 0.02 0.07 -0.08 -0.55 8.28 7.74 1dv9A11 THR 154 HA -0.01 0.17 0.39 -0.75 4.39 4.18 1dv9A11 THR 154 HB 0.01 -0.10 0.08 -0.04 4.32 4.26 1dv9A11 THR 154 HG23 -0.03 0.03 -0.10 -0.04 1.22 1.08 1dv9A11 GLN 155 H 0.04 -0.04 -0.15 -0.55 8.47 7.78 1dv9A11 GLN 155 HA 0.03 0.07 0.30 -0.75 4.36 4.01 1dv9A11 GLN 155 HB2 0.08 -0.03 0.12 -0.04 2.15 2.27 1dv9A11 GLN 155 HB3 0.17 -0.20 0.13 -0.04 2.02 2.07 1dv9A11 GLN 155 HG2 0.34 0.00 -0.06 -0.04 2.40 2.65 1dv9A11 GLN 155 HG3 0.12 0.10 0.02 -0.04 2.39 2.60 1dv9A11 GLN 155 HE21 0.07 0.06 0.01 -0.04 6.97 7.07 1dv9A11 GLN 155 HE22 0.05 -0.02 0.00 -0.04 7.69 7.68 1dv9A11 LEU 156 H 0.12 0.59 -0.29 -0.55 8.37 8.24 1dv9A11 LEU 156 HA 0.12 -0.00 0.32 -0.75 4.35 4.03 1dv9A11 LEU 156 HB2 0.19 -0.07 -0.14 -0.04 1.64 1.58 1dv9A11 LEU 156 HB3 0.08 0.06 0.02 -0.04 1.64 1.75 1dv9A11 LEU 156 HG 0.10 -0.01 -0.18 -0.04 1.64 1.51 1dv9A11 LEU 156 HD13 0.16 0.00 -0.11 -0.04 0.93 0.94 1dv9A11 LEU 156 HD23 -0.01 -0.04 -0.29 -0.04 0.89 0.51 1dv9A11 GLU 157 H 0.01 0.37 -0.35 -0.55 8.60 8.08 1dv9A11 GLU 157 HA -0.04 0.09 0.63 -0.75 4.29 4.21 1dv9A11 GLU 157 HB2 -0.02 0.07 0.13 -0.04 2.09 2.23 1dv9A11 GLU 157 HB3 0.01 -0.04 0.24 -0.04 1.99 2.16 1dv9A11 GLU 157 HG2 0.04 -0.09 0.12 -0.04 2.34 2.38 1dv9A11 GLU 157 HG3 -0.07 0.02 0.05 -0.04 2.34 2.30 1dv9A11 GLU 158 H -0.09 0.54 -0.70 -0.55 8.60 7.81 1dv9A11 GLU 158 HA 0.02 -0.05 0.86 -0.75 4.29 4.36 1dv9A11 GLU 158 HB2 -0.03 0.07 -0.16 -0.04 2.09 1.93 1dv9A11 GLU 158 HB3 -0.03 0.17 0.17 -0.04 1.99 2.25 1dv9A11 GLU 158 HG2 -0.04 -0.00 -0.20 -0.04 2.34 2.05 1dv9A11 GLU 158 HG3 -0.02 -0.09 -0.04 -0.04 2.34 2.15 1dv9A11 GLN 159 H -0.01 -0.10 0.10 -0.55 8.47 7.91 1dv9A11 GLN 159 HA -0.08 0.12 0.56 -0.75 4.36 4.20 1dv9A11 GLN 159 HB2 -0.10 -0.04 -0.03 -0.04 2.15 1.93 1dv9A11 GLN 159 HB3 -0.37 0.22 -0.12 -0.04 2.02 1.71 1dv9A11 GLN 159 HG2 -0.08 -0.21 -0.08 -0.04 2.40 1.99 1dv9A11 GLN 159 HG3 -0.06 0.03 -0.15 -0.04 2.39 2.17 1dv9A11 GLN 159 HE21 -0.04 -0.07 -0.08 -0.04 6.97 6.74 1dv9A11 GLN 159 HE22 -0.02 0.07 -0.04 -0.04 7.69 7.66 1dv9A11 CYS 160 H -0.00 0.06 0.06 -0.55 8.50 8.08 1dv9A11 CYS 160 HA 0.06 0.20 0.53 -0.75 4.58 4.62 1dv9A11 CYS 160 HB2 0.00 -0.02 -0.11 -0.04 2.97 2.80 1dv9A11 CYS 160 HB3 0.00 0.01 0.14 -0.04 2.97 3.09 1dv9A11 HIS 161 H 0.11 0.03 0.03 -0.55 8.41 8.03 1dv9A11 HIS 161 HA -0.02 0.04 0.44 -0.75 4.63 4.34 1dv9A11 HIS 161 HB2 -0.02 -0.04 0.20 -0.04 3.26 3.36 1dv9A11 HIS 161 HB3 -0.01 0.03 0.17 -0.04 3.20 3.34 1dv9A11 HIS 161 HD2 -0.01 -0.04 -0.09 -0.04 6.97 6.78 1dv9A11 HIS 161 HE1 -0.03 0.03 0.05 -0.04 7.75 7.76 1dv9A11 ILE 162 H -0.09 0.19 0.25 -0.55 8.25 8.06 1dv9A11 ILE 162 HA 0.03 0.13 0.26 -0.75 4.18 3.84 1dv9A11 ILE 162 HB -0.04 -0.03 0.12 -0.04 1.89 1.91 1dv9A11 ILE 162 HG12 -0.01 -0.01 0.03 -0.04 1.49 1.46 1dv9A11 ILE 162 HG13 -0.03 0.28 0.14 -0.04 1.21 1.57 1dv9A11 ILE 162 HG23 -0.00 -0.00 0.05 -0.04 0.93 0.94 1dv9A11 ILE 162 HD13 -0.03 -0.01 0.05 -0.04 0.88 0.85