============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 12 0.840 16.067 31.935 24.968 -99.200 -91.000 TRP 15 1.040 15.115 29.850 31.307 -99.200 -91.000 TRP6 15 1.020 13.843 29.046 29.488 -99.200 -91.000 TYR 35 0.840 7.273 37.188 14.916 -99.200 -91.000 PHE 42 1.000 6.997 46.900 20.642 -99.200 -91.000 HIS 45 0.900 0.309 51.487 22.269 -99.200 -91.000 PHE 50 1.000 9.690 43.483 9.816 -99.200 -91.000 TYR 51 0.840 11.137 34.917 11.368 -99.200 -91.000 PHE 54 1.000 11.888 32.666 15.556 -99.200 -91.000 HIS 69 0.900 9.458 51.414 22.733 -99.200 -91.000 TYR 80 0.840 6.274 35.289 27.188 -99.200 -91.000 PHE 82 1.000 11.716 34.449 27.665 -99.200 -91.000 TYR 95 0.840 24.024 48.370 8.536 -99.200 -91.000 TYR 108 0.840 22.578 50.496 29.265 -99.200 -91.000 TYR 131 0.840 10.450 59.111 5.125 -99.200 -91.000 HIS 136 0.900 3.624 42.593 1.362 -99.200 -91.000 TYR 153 0.840 14.729 20.938 2.445 -99.200 -91.000 TYR 156 0.840 13.203 25.554 4.153 -99.200 -91.000 TYR 173 0.840 20.384 50.301 -3.460 -99.200 -91.000 PHE 178 1.000 13.994 42.398 9.177 -99.200 -91.000 PHE 179 1.000 9.638 33.567 4.250 -99.200 -91.000 PHE 185 1.000 11.338 37.009 0.241 -99.200 -91.000 PHE 197 1.000 12.843 48.524 -3.430 -99.200 -91.000 PHE 201 1.000 12.066 43.764 -7.290 -99.200 -91.000 TYR 208 0.840 19.208 33.307 -7.310 -99.200 -91.000 PHE 253 1.000 -0.550 62.752 7.156 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2qv6A1 MET 1 HA -0.24 0.04 0.26 -0.75 4.52 3.82 2qv6A1 MET 1 HB2 -0.04 0.17 -0.12 -0.04 2.15 2.11 2qv6A1 MET 1 HB3 -0.01 -0.01 -0.01 -0.04 2.03 1.96 2qv6A1 MET 1 HG2 0.02 0.04 -0.04 -0.04 2.63 2.60 2qv6A1 MET 1 HG3 -0.01 -0.07 -0.23 -0.04 2.56 2.22 2qv6A1 MET 1 HE3 0.01 -0.00 -0.15 -0.04 2.10 1.91 2qv6A1 ILE 2 H -0.10 0.41 0.22 -0.55 8.25 8.24 2qv6A1 ILE 2 HA -0.07 0.11 0.63 -0.75 4.18 4.09 2qv6A1 ILE 2 HB -0.14 0.03 0.12 -0.04 1.89 1.86 2qv6A1 ILE 2 HG12 -0.02 0.08 -0.05 -0.04 1.49 1.46 2qv6A1 ILE 2 HG13 -0.04 -0.00 0.10 -0.04 1.21 1.22 2qv6A1 ILE 2 HG23 -0.03 0.02 -0.18 -0.04 0.93 0.70 2qv6A1 ILE 2 HD13 0.01 -0.04 0.05 -0.04 0.88 0.86 2qv6A1 GLN 3 H -0.01 0.13 0.27 -0.55 8.47 8.31 2qv6A1 GLN 3 HA -0.01 0.27 1.04 -0.75 4.36 4.91 2qv6A1 GLN 3 HB2 0.00 -0.07 0.10 -0.04 2.15 2.14 2qv6A1 GLN 3 HB3 0.01 -0.09 0.07 -0.04 2.02 1.97 2qv6A1 GLN 3 HG2 0.01 -0.02 -0.36 -0.04 2.40 2.00 2qv6A1 GLN 3 HG3 -0.01 0.04 -0.06 -0.04 2.39 2.32 2qv6A1 GLN 3 HE21 0.10 0.31 0.06 -0.04 6.97 7.40 2qv6A1 GLN 3 HE22 0.11 -0.08 -0.11 -0.04 7.69 7.56 2qv6A1 ILE 4 H -0.02 0.73 0.43 -0.55 8.25 8.84 2qv6A1 ILE 4 HA -0.02 0.21 1.09 -0.75 4.18 4.71 2qv6A1 ILE 4 HB -0.02 -0.00 -0.01 -0.04 1.89 1.82 2qv6A1 ILE 4 HG12 0.02 0.05 0.02 -0.04 1.49 1.54 2qv6A1 ILE 4 HG13 0.00 -0.08 -0.44 -0.04 1.21 0.65 2qv6A1 ILE 4 HG23 -0.01 -0.01 -0.18 -0.04 0.93 0.69 2qv6A1 ILE 4 HD13 0.03 -0.01 -0.00 -0.04 0.88 0.85 2qv6A1 THR 5 H -0.06 0.57 0.35 -0.55 8.28 8.60 2qv6A1 THR 5 HA -0.03 0.27 1.06 -0.75 4.39 4.94 2qv6A1 THR 5 HB -0.12 -0.06 0.03 -0.04 4.32 4.13 2qv6A1 THR 5 HG23 0.11 0.02 -0.27 -0.04 1.22 1.04 2qv6A1 VAL 6 H -0.03 0.61 0.35 -0.55 8.24 8.62 2qv6A1 VAL 6 HA -0.04 0.25 1.01 -0.75 4.13 4.60 2qv6A1 VAL 6 HB -0.03 -0.03 0.10 -0.04 2.12 2.12 2qv6A1 VAL 6 HG13 -0.02 0.01 -0.09 -0.04 0.97 0.82 2qv6A1 VAL 6 HG23 -0.03 0.00 -0.05 -0.04 0.95 0.83 2qv6A1 ILE 7 H -0.04 0.57 0.33 -0.55 8.25 8.57 2qv6A1 ILE 7 HA -0.01 0.33 1.01 -0.75 4.18 4.76 2qv6A1 ILE 7 HB -0.03 -0.09 0.04 -0.04 1.89 1.77 2qv6A1 ILE 7 HG12 0.06 0.04 -0.20 -0.04 1.49 1.35 2qv6A1 ILE 7 HG13 -0.04 -0.08 -0.56 -0.04 1.21 0.50 2qv6A1 ILE 7 HG23 -0.01 0.02 -0.18 -0.04 0.93 0.72 2qv6A1 ILE 7 HD13 -0.09 -0.02 -0.22 -0.04 0.88 0.51 2qv6A1 GLN 8 H -0.05 0.52 0.33 -0.55 8.47 8.72 2qv6A1 GLN 8 HA -0.07 0.25 1.06 -0.75 4.36 4.85 2qv6A1 GLN 8 HB2 -0.03 -0.05 -0.16 -0.04 2.15 1.87 2qv6A1 GLN 8 HB3 -0.04 -0.06 0.03 -0.04 2.02 1.91 2qv6A1 GLN 8 HG2 -0.03 0.20 -0.13 -0.04 2.40 2.40 2qv6A1 GLN 8 HG3 -0.02 0.03 0.13 -0.04 2.39 2.49 2qv6A1 GLN 8 HE21 0.01 -0.05 -0.01 -0.04 6.97 6.89 2qv6A1 GLN 8 HE22 0.00 -0.00 -0.01 -0.04 7.69 7.64 2qv6A1 ILE 9 H -0.18 0.59 0.32 -0.55 8.25 8.44 2qv6A1 ILE 9 HA -0.26 0.15 0.92 -0.75 4.18 4.23 2qv6A1 ILE 9 HB -0.54 -0.09 0.19 -0.04 1.89 1.41 2qv6A1 ILE 9 HG12 -0.75 0.01 -0.04 -0.04 1.49 0.67 2qv6A1 ILE 9 HG13 -0.42 0.01 0.06 -0.04 1.21 0.82 2qv6A1 ILE 9 HG23 -0.99 0.06 -0.04 -0.04 0.93 -0.08 2qv6A1 ILE 9 HD13 -1.11 -0.01 -0.00 -0.04 0.88 -0.28 2qv6A1 ASP 10 H -0.10 0.49 0.33 -0.55 8.40 8.57 2qv6A1 ASP 10 HA -0.01 0.04 0.48 -0.75 4.63 4.39 2qv6A1 ASP 10 HB2 0.00 -0.04 0.13 -0.04 2.71 2.76 2qv6A1 ASP 10 HB3 0.02 0.17 0.04 -0.04 2.70 2.88 2qv6A1 ASN 11 H 0.04 0.33 0.24 -0.55 8.53 8.59 2qv6A1 ASN 11 HA 0.08 0.01 0.43 -0.75 4.76 4.53 2qv6A1 ASN 11 HB2 0.07 0.07 -0.29 -0.04 2.88 2.69 2qv6A1 ASN 11 HB3 0.10 0.12 -0.16 -0.04 2.79 2.81 2qv6A1 ASN 11 HD21 0.08 -0.02 -0.04 -0.04 7.03 7.01 2qv6A1 ASN 11 HD22 0.10 0.08 -0.04 -0.04 7.74 7.84 2qv6A1 TYR 12 H 0.16 0.20 -0.28 -0.55 8.29 7.82 2qv6A1 TYR 12 HA 0.08 0.13 0.33 -0.75 4.56 4.34 2qv6A1 TYR 12 HB2 -0.14 0.10 -0.07 -0.04 3.06 2.90 2qv6A1 TYR 12 HB3 -0.01 -0.07 0.05 -0.04 2.98 2.91 2qv6A1 TYR 12 HD2 -0.08 0.01 -0.00 -0.04 7.15 7.04 2qv6A1 TYR 12 HE2 0.02 -0.00 -0.05 -0.04 6.85 6.78 2qv6A1 GLY 13 H 0.11 0.09 -0.04 -0.55 8.43 8.04 2qv6A1 GLY 13 HA2 -0.07 0.04 0.41 -0.51 4.01 3.88 2qv6A1 GLY 13 HA3 0.03 0.02 0.26 -0.51 4.01 3.81 2qv6A1 PRO 14 HA 0.03 0.06 0.60 -0.51 4.44 4.62 2qv6A1 PRO 14 HB2 0.12 0.12 -0.01 -0.04 2.28 2.47 2qv6A1 PRO 14 HB3 0.06 0.01 0.05 -0.04 2.02 2.10 2qv6A1 PRO 14 HG2 0.08 0.03 0.01 -0.04 2.03 2.11 2qv6A1 PRO 14 HG3 0.05 0.02 0.03 -0.04 2.03 2.08 2qv6A1 PRO 14 HD2 0.10 0.13 -0.25 -0.04 3.68 3.63 2qv6A1 PRO 14 HD3 0.06 0.03 0.02 -0.04 3.65 3.71 2qv6A1 TRP 15 H 0.30 0.31 -0.21 -0.55 7.97 7.81 2qv6A1 TRP 15 HA 0.04 0.09 0.46 -0.75 4.62 4.45 2qv6A1 TRP 15 HB2 0.12 0.03 0.13 -0.04 3.23 3.47 2qv6A1 TRP 15 HB3 0.12 0.09 0.15 -0.04 3.23 3.54 2qv6A1 TRP 15 HD1 0.11 -0.03 0.07 -0.04 7.22 7.33 2qv6A1 TRP 15 HE1 0.09 -0.02 0.06 -0.04 10.20 10.29 2qv6A1 TRP 15 HE3 0.02 0.05 -0.19 -0.04 7.59 7.44 2qv6A1 TRP 15 HZ2 0.10 -0.03 0.00 -0.04 7.44 7.47 2qv6A1 TRP 15 HZ3 0.26 -0.07 -0.06 -0.04 7.13 7.22 2qv6A1 TRP 15 HH2 0.19 -0.07 -0.04 -0.04 7.19 7.22 2qv6A1 THR 16 H 0.06 0.33 -0.26 -0.55 8.28 7.85 2qv6A1 THR 16 HA -0.34 0.05 0.26 -0.75 4.39 3.61 2qv6A1 THR 16 HB -0.10 -0.10 0.09 -0.04 4.32 4.16 2qv6A1 THR 16 HG23 -0.31 0.08 0.02 -0.04 1.22 0.96 2qv6A1 VAL 17 H -0.09 0.26 -0.36 -0.55 8.24 7.50 2qv6A1 VAL 17 HA -0.12 0.14 0.68 -0.75 4.13 4.07 2qv6A1 VAL 17 HB -0.05 -0.05 0.02 -0.04 2.12 1.99 2qv6A1 VAL 17 HG13 -0.05 -0.04 -0.12 -0.04 0.97 0.71 2qv6A1 VAL 17 HG23 -0.03 0.06 -0.02 -0.04 0.95 0.93 2qv6A1 THR 18 H -0.16 0.32 -0.19 -0.55 8.28 7.71 2qv6A1 THR 18 HA -0.07 0.08 0.75 -0.75 4.39 4.39 2qv6A1 THR 18 HB -0.03 0.29 0.10 -0.04 4.32 4.65 2qv6A1 THR 18 HG23 -0.02 -0.03 -0.18 -0.04 1.22 0.95 2qv6A1 PRO 19 HA -0.05 0.01 0.41 -0.51 4.44 4.30 2qv6A1 PRO 19 HB2 -0.04 0.00 -0.02 -0.04 2.28 2.18 2qv6A1 PRO 19 HB3 -0.03 -0.02 0.11 -0.04 2.02 2.04 2qv6A1 PRO 19 HG2 -0.07 0.01 0.06 -0.04 2.03 1.98 2qv6A1 PRO 19 HG3 -0.05 -0.01 0.08 -0.04 2.03 2.02 2qv6A1 PRO 19 HD2 -0.15 0.17 0.44 -0.04 3.68 4.11 2qv6A1 PRO 19 HD3 -0.07 0.06 0.12 -0.04 3.65 3.72 2qv6A1 ASN 20 H -0.12 0.23 -0.10 -0.55 8.53 7.99 2qv6A1 ASN 20 HA -0.06 0.19 0.57 -0.75 4.76 4.70 2qv6A1 ASN 20 HB2 -0.07 0.18 -0.08 -0.04 2.88 2.86 2qv6A1 ASN 20 HB3 -0.05 -0.06 0.17 -0.04 2.79 2.81 2qv6A1 ASN 20 HD21 -0.05 -0.04 -0.08 -0.04 7.03 6.82 2qv6A1 ASN 20 HD22 -0.08 0.07 -0.05 -0.04 7.74 7.63 2qv6A1 PRO 21 HA -0.11 0.31 0.72 -0.51 4.44 4.85 2qv6A1 PRO 21 HB2 -0.05 -0.06 0.01 -0.04 2.28 2.14 2qv6A1 PRO 21 HB3 -0.05 -0.00 0.14 -0.04 2.02 2.07 2qv6A1 PRO 21 HG2 -0.04 -0.02 0.09 -0.04 2.03 2.02 2qv6A1 PRO 21 HG3 -0.05 0.06 0.10 -0.04 2.03 2.11 2qv6A1 PRO 21 HD2 -0.05 0.03 0.21 -0.04 3.68 3.83 2qv6A1 PRO 21 HD3 -0.05 0.20 0.21 -0.04 3.65 3.96 2qv6A1 ARG 22 H -0.09 0.20 0.21 -0.55 8.46 8.24 2qv6A1 ARG 22 HA -0.08 0.13 0.87 -0.75 4.34 4.50 2qv6A1 ARG 22 HB2 -0.09 -0.04 0.06 -0.04 1.90 1.79 2qv6A1 ARG 22 HB3 -0.08 -0.07 -0.00 -0.04 1.80 1.60 2qv6A1 ARG 22 HG2 -0.24 0.05 -0.23 -0.04 1.67 1.20 2qv6A1 ARG 22 HG3 -0.28 0.35 -0.03 -0.04 1.67 1.67 2qv6A1 ARG 22 HD2 -0.49 -0.10 -0.01 -0.04 3.22 2.58 2qv6A1 ARG 22 HD3 -0.36 -0.11 -0.03 -0.04 3.22 2.68 2qv6A1 ARG 23 H -0.03 0.17 0.14 -0.55 8.46 8.19 2qv6A1 ARG 23 HA -0.01 0.04 0.40 -0.75 4.34 4.01 2qv6A1 ARG 23 HB2 0.00 0.03 0.18 -0.04 1.90 2.07 2qv6A1 ARG 23 HB3 0.00 -0.18 -0.01 -0.04 1.80 1.57 2qv6A1 ARG 23 HG2 -0.01 0.01 0.08 -0.04 1.67 1.71 2qv6A1 ARG 23 HG3 -0.02 0.07 0.11 -0.04 1.67 1.80 2qv6A1 ARG 23 HD2 -0.01 0.07 0.04 -0.04 3.22 3.28 2qv6A1 ARG 23 HD3 -0.00 0.04 0.07 -0.04 3.22 3.28 2qv6A1 GLU 24 H -0.00 0.16 0.24 -0.55 8.60 8.45 2qv6A1 GLU 24 HA 0.01 0.16 0.34 -0.75 4.29 4.05 2qv6A1 GLU 24 HB2 -0.00 0.08 0.18 -0.04 2.09 2.31 2qv6A1 GLU 24 HB3 -0.00 -0.02 0.12 -0.04 1.99 2.04 2qv6A1 GLU 24 HG2 0.00 0.03 0.03 -0.04 2.34 2.36 2qv6A1 GLU 24 HG3 -0.00 -0.04 -0.05 -0.04 2.34 2.21 2qv6A1 SER 25 H 0.01 0.08 -0.10 -0.55 8.46 7.90 2qv6A1 SER 25 HA 0.00 0.09 0.43 -0.75 4.49 4.26 2qv6A1 SER 25 HB2 0.01 0.06 0.06 -0.04 3.95 4.03 2qv6A1 SER 25 HB3 0.00 0.01 0.10 -0.04 3.93 4.00 2qv6A1 ASP 26 H 0.02 0.12 -0.22 -0.55 8.40 7.78 2qv6A1 ASP 26 HA 0.05 0.05 0.61 -0.75 4.63 4.59 2qv6A1 ASP 26 HB2 0.05 0.18 0.09 -0.04 2.71 2.99 2qv6A1 ASP 26 HB3 0.08 0.04 -0.02 -0.04 2.70 2.77 2qv6A1 LEU 27 H 0.06 0.40 -0.13 -0.55 8.37 8.16 2qv6A1 LEU 27 HA 0.21 0.07 0.52 -0.75 4.35 4.40 2qv6A1 LEU 27 HB2 0.07 0.06 0.08 -0.04 1.64 1.81 2qv6A1 LEU 27 HB3 0.16 -0.03 0.02 -0.04 1.64 1.75 2qv6A1 LEU 27 HG 0.07 0.10 -0.11 -0.04 1.64 1.67 2qv6A1 LEU 27 HD13 0.04 -0.00 0.00 -0.04 0.93 0.93 2qv6A1 LEU 27 HD23 0.30 0.01 -0.04 -0.04 0.89 1.11 2qv6A1 GLN 28 H 0.02 0.53 -0.09 -0.55 8.47 8.39 2qv6A1 GLN 28 HA -0.09 0.06 0.63 -0.75 4.36 4.21 2qv6A1 GLN 28 HB2 -0.01 0.10 0.16 -0.04 2.15 2.35 2qv6A1 GLN 28 HB3 -0.05 -0.04 -0.00 -0.04 2.02 1.89 2qv6A1 GLN 28 HG2 -0.02 0.17 0.04 -0.04 2.40 2.54 2qv6A1 GLN 28 HG3 -0.04 -0.04 -0.00 -0.04 2.39 2.26 2qv6A1 GLN 28 HE21 -0.27 0.01 -0.01 -0.04 6.97 6.66 2qv6A1 GLN 28 HE22 -0.14 -0.01 0.01 -0.04 7.69 7.50 2qv6A1 ALA 29 H 0.03 0.39 -0.15 -0.55 8.40 8.13 2qv6A1 ALA 29 HA 0.04 0.02 0.49 -0.75 4.34 4.13 2qv6A1 ALA 29 HB3 0.04 0.04 0.13 -0.04 1.41 1.57 2qv6A1 LEU 30 H 0.11 0.64 -0.04 -0.55 8.37 8.54 2qv6A1 LEU 30 HA 0.17 0.03 0.41 -0.75 4.35 4.21 2qv6A1 LEU 30 HB2 0.22 0.07 0.14 -0.04 1.64 2.03 2qv6A1 LEU 30 HB3 0.26 0.05 0.17 -0.04 1.64 2.07 2qv6A1 LEU 30 HG 0.40 -0.02 -0.16 -0.04 1.64 1.82 2qv6A1 LEU 30 HD13 0.18 -0.01 0.05 -0.04 0.93 1.11 2qv6A1 LEU 30 HD23 0.45 0.00 -0.03 -0.04 0.89 1.27 2qv6A1 GLN 31 H 0.10 0.49 -0.28 -0.55 8.47 8.23 2qv6A1 GLN 31 HA 0.12 0.04 0.40 -0.75 4.36 4.16 2qv6A1 GLN 31 HB2 -0.13 0.10 0.19 -0.04 2.15 2.26 2qv6A1 GLN 31 HB3 -0.15 -0.07 -0.00 -0.04 2.02 1.75 2qv6A1 GLN 31 HG2 0.07 -0.03 -0.02 -0.04 2.40 2.37 2qv6A1 GLN 31 HG3 0.17 0.11 0.08 -0.04 2.39 2.71 2qv6A1 GLN 31 HE21 0.26 -0.03 -0.03 -0.04 6.97 7.13 2qv6A1 GLN 31 HE22 0.55 0.01 -0.03 -0.04 7.69 8.18 2qv6A1 SER 32 H 0.02 0.60 -0.07 -0.55 8.46 8.47 2qv6A1 SER 32 HA 0.25 0.00 0.50 -0.75 4.49 4.49 2qv6A1 SER 32 HB2 0.07 0.06 0.08 -0.04 3.95 4.12 2qv6A1 SER 32 HB3 0.11 -0.07 0.04 -0.04 3.93 3.97 2qv6A1 ARG 33 H 0.13 0.62 -0.15 -0.55 8.46 8.50 2qv6A1 ARG 33 HA 0.11 -0.03 0.52 -0.75 4.34 4.18 2qv6A1 ARG 33 HB2 0.10 0.15 0.15 -0.04 1.90 2.27 2qv6A1 ARG 33 HB3 0.22 0.14 0.12 -0.04 1.80 2.24 2qv6A1 ARG 33 HG2 0.12 0.03 -0.06 -0.04 1.67 1.72 2qv6A1 ARG 33 HG3 0.08 -0.09 0.07 -0.04 1.67 1.69 2qv6A1 ARG 33 HD2 0.01 0.03 -0.02 -0.04 3.22 3.20 2qv6A1 ARG 33 HD3 -0.00 -0.01 -0.01 -0.04 3.22 3.16 2qv6A1 LEU 34 H 0.21 0.52 -0.14 -0.55 8.37 8.41 2qv6A1 LEU 34 HA 0.01 0.02 0.44 -0.75 4.35 4.07 2qv6A1 LEU 34 HB2 -0.02 0.07 0.08 -0.04 1.64 1.73 2qv6A1 LEU 34 HB3 0.09 0.15 0.11 -0.04 1.64 1.95 2qv6A1 LEU 34 HG -0.02 -0.06 -0.33 -0.04 1.64 1.19 2qv6A1 LEU 34 HD13 -0.37 -0.01 -0.05 -0.04 0.93 0.46 2qv6A1 LEU 34 HD23 -0.14 0.01 -0.09 -0.04 0.89 0.64 2qv6A1 TYR 35 H 0.27 0.50 -0.16 -0.55 8.29 8.36 2qv6A1 TYR 35 HA 0.05 -0.01 0.42 -0.75 4.56 4.27 2qv6A1 TYR 35 HB2 0.20 0.06 0.10 -0.04 3.06 3.38 2qv6A1 TYR 35 HB3 0.16 0.12 0.16 -0.04 2.98 3.37 2qv6A1 TYR 35 HD2 0.08 0.02 -0.07 -0.04 7.15 7.15 2qv6A1 TYR 35 HE2 0.05 0.01 -0.26 -0.04 6.85 6.60 2qv6A1 ALA 36 H 0.10 0.60 -0.19 -0.55 8.40 8.36 2qv6A1 ALA 36 HA -0.21 -0.01 0.41 -0.75 4.34 3.77 2qv6A1 ALA 36 HB3 0.01 0.02 0.11 -0.04 1.41 1.51 2qv6A1 ASP 37 H 0.05 0.69 -0.04 -0.55 8.40 8.55 2qv6A1 ASP 37 HA 0.01 -0.02 0.40 -0.75 4.63 4.26 2qv6A1 ASP 37 HB2 0.08 0.15 0.16 -0.04 2.71 3.05 2qv6A1 ASP 37 HB3 0.05 -0.06 -0.06 -0.04 2.70 2.59 2qv6A1 LEU 38 H 0.03 0.67 -0.15 -0.55 8.37 8.36 2qv6A1 LEU 38 HA 0.07 -0.03 0.41 -0.75 4.35 4.05 2qv6A1 LEU 38 HB2 0.09 0.14 0.08 -0.04 1.64 1.91 2qv6A1 LEU 38 HB3 0.19 -0.10 -0.09 -0.04 1.64 1.59 2qv6A1 LEU 38 HG 0.03 0.21 -0.00 -0.04 1.64 1.84 2qv6A1 LEU 38 HD13 0.07 -0.02 -0.16 -0.04 0.93 0.78 2qv6A1 LEU 38 HD23 0.13 -0.02 -0.09 -0.04 0.89 0.86 2qv6A1 ASN 39 H -0.11 0.58 -0.18 -0.55 8.53 8.27 2qv6A1 ASN 39 HA -0.04 -0.05 0.61 -0.75 4.76 4.52 2qv6A1 ASN 39 HB2 -0.30 0.19 0.15 -0.04 2.88 2.88 2qv6A1 ASN 39 HB3 -0.17 -0.01 -0.04 -0.04 2.79 2.53 2qv6A1 ASN 39 HD21 -0.29 0.32 0.13 -0.04 7.03 7.15 2qv6A1 ASN 39 HD22 -0.80 0.06 0.00 -0.04 7.74 6.96 2qv6A1 LEU 40 H -0.06 0.54 -0.07 -0.55 8.37 8.23 2qv6A1 LEU 40 HA -0.05 0.05 0.59 -0.75 4.35 4.18 2qv6A1 LEU 40 HB2 -0.03 0.10 0.17 -0.04 1.64 1.84 2qv6A1 LEU 40 HB3 -0.04 -0.04 0.01 -0.04 1.64 1.52 2qv6A1 LEU 40 HG -0.05 0.17 0.01 -0.04 1.64 1.73 2qv6A1 LEU 40 HD13 -0.02 -0.01 -0.03 -0.04 0.93 0.82 2qv6A1 LEU 40 HD23 -0.05 -0.02 -0.02 -0.04 0.89 0.76 2qv6A1 MET 41 H -0.03 0.63 -0.06 -0.55 8.47 8.46 2qv6A1 MET 41 HA -0.06 0.06 0.33 -0.75 4.52 4.10 2qv6A1 MET 41 HB2 -0.17 0.01 0.07 -0.04 2.15 2.02 2qv6A1 MET 41 HB3 -0.16 -0.04 -0.02 -0.04 2.03 1.77 2qv6A1 MET 41 HG2 -0.05 -0.05 -0.03 -0.04 2.63 2.46 2qv6A1 MET 41 HG3 -0.04 0.30 0.07 -0.04 2.56 2.85 2qv6A1 MET 41 HE3 -0.06 -0.01 -0.03 -0.04 2.10 1.96 2qv6A1 PHE 42 H 0.04 0.60 0.02 -0.55 8.34 8.45 2qv6A1 PHE 42 HA -0.02 0.06 0.59 -0.75 4.62 4.50 2qv6A1 PHE 42 HB2 -0.09 0.26 0.02 -0.04 3.15 3.30 2qv6A1 PHE 42 HB3 -0.08 -0.15 -0.18 -0.04 3.06 2.60 2qv6A1 PHE 42 HD2 -0.13 0.08 -0.04 -0.04 7.28 7.14 2qv6A1 PHE 42 HE2 -0.42 -0.00 -0.13 -0.04 7.38 6.79 2qv6A1 PHE 42 HZ -0.14 0.01 -0.12 -0.04 7.32 7.03 2qv6A1 GLY 43 H 0.05 0.36 -0.48 -0.55 8.43 7.80 2qv6A1 GLY 43 HA2 0.00 0.10 0.49 -0.51 4.01 4.09 2qv6A1 GLY 43 HA3 -0.02 0.25 0.33 -0.51 4.01 4.06 2qv6A1 ALA 44 H -0.03 0.41 -0.33 -0.55 8.40 7.91 2qv6A1 ALA 44 HA -0.12 0.00 0.47 -0.75 4.34 3.94 2qv6A1 ALA 44 HB3 -0.18 0.06 0.09 -0.04 1.41 1.34 2qv6A1 HIS 45 H 0.07 0.31 -0.65 -0.55 8.41 7.60 2qv6A1 HIS 45 HA -0.01 0.18 0.83 -0.75 4.63 4.88 2qv6A1 HIS 45 HB2 -0.01 0.02 0.06 -0.04 3.26 3.30 2qv6A1 HIS 45 HB3 0.00 -0.04 0.16 -0.04 3.20 3.28 2qv6A1 HIS 45 HD2 -0.13 0.30 -0.01 -0.04 6.97 7.08 2qv6A1 HIS 45 HE1 -0.04 -0.03 -0.02 -0.04 7.75 7.62 2qv6A1 LYS 46 H 0.01 0.53 -0.30 -0.55 8.42 8.11 2qv6A1 LYS 46 HA 0.01 0.10 0.34 -0.75 4.32 4.02 2qv6A1 LYS 46 HB2 0.05 0.21 0.08 -0.04 1.87 2.17 2qv6A1 LYS 46 HB3 0.02 -0.29 0.20 -0.04 1.79 1.68 2qv6A1 LYS 46 HG2 -0.00 0.12 -0.12 -0.04 1.46 1.42 2qv6A1 LYS 46 HG3 0.03 0.07 -0.26 -0.04 1.46 1.25 2qv6A1 LYS 46 HD2 0.01 -0.19 0.00 -0.04 1.69 1.47 2qv6A1 LYS 46 HD3 -0.00 0.03 -0.02 -0.04 1.68 1.64 2qv6A1 LYS 46 HE2 0.00 0.06 -0.03 -0.04 2.99 2.98 2qv6A1 LYS 46 HE3 0.03 0.03 -0.04 -0.04 2.99 2.97 2qv6A1 GLY 47 H 0.08 0.61 -0.16 -0.55 8.43 8.42 2qv6A1 GLY 47 HA2 -0.01 0.07 0.88 -0.51 4.01 4.44 2qv6A1 GLY 47 HA3 0.03 0.02 0.25 -0.51 4.01 3.81 2qv6A1 LEU 48 H -0.16 0.42 0.25 -0.55 8.37 8.34 2qv6A1 LEU 48 HA -0.21 0.16 0.60 -0.75 4.35 4.14 2qv6A1 LEU 48 HB2 -0.15 0.06 -0.27 -0.04 1.64 1.24 2qv6A1 LEU 48 HB3 -0.23 -0.11 0.01 -0.04 1.64 1.27 2qv6A1 LEU 48 HG -0.86 0.03 -0.24 -0.04 1.64 0.54 2qv6A1 LEU 48 HD13 -0.24 0.00 0.04 -0.04 0.93 0.69 2qv6A1 LEU 48 HD23 -0.09 -0.01 -0.12 -0.04 0.89 0.62 2qv6A1 VAL 49 H -0.36 0.28 0.15 -0.55 8.24 7.76 2qv6A1 VAL 49 HA -0.37 0.16 0.95 -0.75 4.13 4.12 2qv6A1 VAL 49 HB -0.09 0.01 -0.06 -0.04 2.12 1.94 2qv6A1 VAL 49 HG13 -0.02 0.02 -0.20 -0.04 0.97 0.73 2qv6A1 VAL 49 HG23 -0.18 -0.02 -0.32 -0.04 0.95 0.39 2qv6A1 PHE 50 H -0.25 0.74 0.38 -0.55 8.34 8.66 2qv6A1 PHE 50 HA -0.09 0.17 0.88 -0.75 4.62 4.82 2qv6A1 PHE 50 HB2 -1.13 -0.02 0.10 -0.04 3.15 2.06 2qv6A1 PHE 50 HB3 -0.70 -0.04 0.10 -0.04 3.06 2.38 2qv6A1 PHE 50 HD2 -0.43 0.06 -0.07 -0.04 7.28 6.80 2qv6A1 PHE 50 HE2 -0.10 -0.02 -0.12 -0.04 7.38 7.10 2qv6A1 PHE 50 HZ -0.03 -0.04 -0.15 -0.04 7.32 7.06 2qv6A1 TYR 51 H -0.44 0.18 0.16 -0.55 8.29 7.64 2qv6A1 TYR 51 HA -0.62 0.13 0.20 -0.75 4.56 3.51 2qv6A1 TYR 51 HB2 -1.51 0.01 -0.01 -0.04 3.06 1.51 2qv6A1 TYR 51 HB3 -2.00 0.04 0.05 -0.04 2.98 1.02 2qv6A1 TYR 51 HD2 -0.58 0.04 -0.22 -0.04 7.15 6.35 2qv6A1 TYR 51 HE2 0.03 0.04 -0.02 -0.04 6.85 6.86 2qv6A1 THR 52 H -0.57 0.04 0.02 -0.55 8.28 7.22 2qv6A1 THR 52 HA -0.01 0.02 0.37 -0.75 4.39 4.02 2qv6A1 THR 52 HB -0.06 0.37 0.15 -0.04 4.32 4.74 2qv6A1 THR 52 HG23 0.08 -0.00 -0.02 -0.04 1.22 1.24 2qv6A1 ARG 53 H -0.02 0.46 0.42 -0.55 8.46 8.76 2qv6A1 ARG 53 HA 0.11 0.19 0.93 -0.75 4.34 4.82 2qv6A1 ARG 53 HB2 0.05 0.00 0.16 -0.04 1.90 2.07 2qv6A1 ARG 53 HB3 0.10 -0.03 0.21 -0.04 1.80 2.04 2qv6A1 ARG 53 HG2 0.08 0.07 -0.04 -0.04 1.67 1.74 2qv6A1 ARG 53 HG3 0.05 -0.04 -0.09 -0.04 1.67 1.56 2qv6A1 ARG 53 HD2 0.07 0.00 0.03 -0.04 3.22 3.28 2qv6A1 ARG 53 HD3 0.05 0.01 -0.01 -0.04 3.22 3.23 2qv6A1 PHE 54 H -0.18 0.70 0.14 -0.55 8.34 8.44 2qv6A1 PHE 54 HA -0.02 0.09 0.37 -0.75 4.62 4.30 2qv6A1 PHE 54 HB2 0.04 0.22 0.21 -0.04 3.15 3.58 2qv6A1 PHE 54 HB3 0.01 -0.01 0.03 -0.04 3.06 3.04 2qv6A1 PHE 54 HD2 -0.02 0.07 -0.18 -0.04 7.28 7.11 2qv6A1 PHE 54 HE2 -0.24 -0.01 -0.09 -0.04 7.38 7.00 2qv6A1 PHE 54 HZ -0.69 -0.02 -0.07 -0.04 7.32 6.50 2qv6A1 ASP 55 H 0.16 0.40 -0.13 -0.55 8.40 8.29 2qv6A1 ASP 55 HA -0.18 0.14 0.68 -0.75 4.63 4.52 2qv6A1 ASP 55 HB2 0.07 -0.02 0.16 -0.04 2.71 2.88 2qv6A1 ASP 55 HB3 0.24 0.03 0.10 -0.04 2.70 3.03 2qv6A1 ASN 56 H 0.02 0.05 -0.25 -0.55 8.53 7.81 2qv6A1 ASN 56 HA -0.04 0.32 0.81 -0.75 4.76 5.10 2qv6A1 ASN 56 HB2 0.02 -0.11 0.07 -0.04 2.88 2.82 2qv6A1 ASN 56 HB3 -0.00 0.02 -0.05 -0.04 2.79 2.72 2qv6A1 ASN 56 HD21 0.02 0.01 -0.06 -0.04 7.03 6.97 2qv6A1 ASN 56 HD22 0.03 -0.10 -0.18 -0.04 7.74 7.45 2qv6A1 LEU 57 H -0.04 0.66 0.34 -0.55 8.37 8.78 2qv6A1 LEU 57 HA -0.07 0.11 0.86 -0.75 4.35 4.51 2qv6A1 LEU 57 HB2 -0.04 -0.06 -0.04 -0.04 1.64 1.46 2qv6A1 LEU 57 HB3 -0.06 0.13 0.06 -0.04 1.64 1.74 2qv6A1 LEU 57 HG -0.07 0.08 -0.45 -0.04 1.64 1.16 2qv6A1 LEU 57 HD13 -0.04 0.04 -0.26 -0.04 0.93 0.63 2qv6A1 LEU 57 HD23 0.03 -0.01 -0.07 -0.04 0.89 0.79 2qv6A1 ILE 58 H -0.11 0.34 0.23 -0.55 8.25 8.17 2qv6A1 ILE 58 HA -0.06 0.30 1.05 -0.75 4.18 4.72 2qv6A1 ILE 58 HB -0.09 -0.05 0.08 -0.04 1.89 1.79 2qv6A1 ILE 58 HG12 0.02 0.03 -0.02 -0.04 1.49 1.48 2qv6A1 ILE 58 HG13 0.01 -0.03 -0.43 -0.04 1.21 0.72 2qv6A1 ILE 58 HG23 0.05 -0.00 -0.10 -0.04 0.93 0.84 2qv6A1 ILE 58 HD13 0.18 -0.00 -0.07 -0.04 0.88 0.94 2qv6A1 ALA 59 H -0.10 0.44 0.36 -0.55 8.40 8.55 2qv6A1 ALA 59 HA -0.25 0.22 1.07 -0.75 4.34 4.63 2qv6A1 ALA 59 HB3 -0.45 0.01 -0.08 -0.04 1.41 0.84 2qv6A1 ILE 60 H -0.15 0.59 0.37 -0.55 8.25 8.50 2qv6A1 ILE 60 HA -0.02 0.21 1.07 -0.75 4.18 4.68 2qv6A1 ILE 60 HB -0.01 -0.04 0.27 -0.04 1.89 2.07 2qv6A1 ILE 60 HG12 0.08 0.03 0.04 -0.04 1.49 1.61 2qv6A1 ILE 60 HG13 0.14 -0.01 -0.05 -0.04 1.21 1.24 2qv6A1 ILE 60 HG23 0.02 -0.02 0.07 -0.04 0.93 0.96 2qv6A1 ILE 60 HD13 0.18 -0.01 0.00 -0.04 0.88 1.01 2qv6A1 THR 61 H -0.01 0.47 0.16 -0.55 8.28 8.36 2qv6A1 THR 61 HA 0.01 0.23 0.82 -0.75 4.39 4.69 2qv6A1 THR 61 HB 0.17 0.04 0.07 -0.04 4.32 4.56 2qv6A1 THR 61 HG23 -0.19 -0.00 -0.37 -0.04 1.22 0.61 2qv6A1 ASN 62 H 0.02 0.05 0.05 -0.55 8.53 8.10 2qv6A1 ASN 62 HA 0.04 -0.04 0.50 -0.75 4.76 4.50 2qv6A1 ASN 62 HB2 0.04 -0.17 0.24 -0.04 2.88 2.95 2qv6A1 ASN 62 HB3 0.05 0.26 0.10 -0.04 2.79 3.16 2qv6A1 ASN 62 HD21 -0.03 0.16 0.17 -0.04 7.03 7.30 2qv6A1 ASN 62 HD22 0.03 0.10 -0.02 -0.04 7.74 7.81 2qv6A1 GLY 63 H 0.05 0.11 0.27 -0.55 8.43 8.31 2qv6A1 GLY 63 HA2 0.05 0.03 0.35 -0.51 4.01 3.94 2qv6A1 GLY 63 HA3 0.06 0.13 0.55 -0.51 4.01 4.23 2qv6A1 ILE 64 H 0.09 0.61 -0.11 -0.55 8.25 8.30 2qv6A1 ILE 64 HA 0.03 0.13 0.94 -0.75 4.18 4.53 2qv6A1 ILE 64 HB 0.17 -0.02 0.08 -0.04 1.89 2.08 2qv6A1 ILE 64 HG12 0.09 0.12 -0.07 -0.04 1.49 1.59 2qv6A1 ILE 64 HG13 0.09 0.04 -0.30 -0.04 1.21 1.00 2qv6A1 ILE 64 HG23 -0.12 0.01 -0.10 -0.04 0.93 0.68 2qv6A1 ILE 64 HD13 0.18 -0.04 -0.09 -0.04 0.88 0.89 2qv6A1 ASP 65 H 0.02 0.11 0.13 -0.55 8.40 8.11 2qv6A1 ASP 65 HA 0.06 0.18 0.34 -0.75 4.63 4.45 2qv6A1 ASP 65 HB2 0.02 -0.08 0.16 -0.04 2.71 2.76 2qv6A1 ASP 65 HB3 0.02 0.15 0.03 -0.04 2.70 2.87 2qv6A1 LEU 66 H 0.01 0.18 0.14 -0.55 8.37 8.16 2qv6A1 LEU 66 HA -0.04 0.14 0.37 -0.75 4.35 4.08 2qv6A1 LEU 66 HB2 -0.03 -0.00 0.11 -0.04 1.64 1.68 2qv6A1 LEU 66 HB3 -0.01 0.03 0.04 -0.04 1.64 1.65 2qv6A1 LEU 66 HG -0.03 0.03 -0.07 -0.04 1.64 1.54 2qv6A1 LEU 66 HD13 -0.11 0.00 -0.14 -0.04 0.93 0.63 2qv6A1 LEU 66 HD23 -0.02 0.02 -0.04 -0.04 0.89 0.80 2qv6A1 ILE 67 H 0.01 0.07 -0.06 -0.55 8.25 7.72 2qv6A1 ILE 67 HA -0.00 0.15 0.42 -0.75 4.18 3.99 2qv6A1 ILE 67 HB -0.01 -0.06 0.08 -0.04 1.89 1.87 2qv6A1 ILE 67 HG12 -0.00 -0.06 0.02 -0.04 1.49 1.41 2qv6A1 ILE 67 HG13 -0.00 0.05 0.02 -0.04 1.21 1.23 2qv6A1 ILE 67 HG23 -0.02 0.03 -0.16 -0.04 0.93 0.74 2qv6A1 ILE 67 HD13 -0.00 0.02 0.01 -0.04 0.88 0.87 2qv6A1 THR 68 H -0.03 0.03 -0.28 -0.55 8.28 7.46 2qv6A1 THR 68 HA -0.15 0.10 0.49 -0.75 4.39 4.08 2qv6A1 THR 68 HB -0.19 0.10 -0.01 -0.04 4.32 4.18 2qv6A1 THR 68 HG23 -0.77 0.03 -0.07 -0.04 1.22 0.37 2qv6A1 HIS 69 H 0.15 0.38 -0.24 -0.55 8.41 8.15 2qv6A1 HIS 69 HA -0.09 0.03 0.41 -0.75 4.63 4.23 2qv6A1 HIS 69 HB2 -0.01 0.11 0.11 -0.04 3.26 3.43 2qv6A1 HIS 69 HB3 0.02 0.01 -0.10 -0.04 3.20 3.09 2qv6A1 HIS 69 HD2 0.17 -0.00 -0.13 -0.04 6.97 6.97 2qv6A1 HIS 69 HE1 0.07 0.18 -0.14 -0.04 7.75 7.82 2qv6A1 LYS 70 H 0.05 0.45 -0.19 -0.55 8.42 8.17 2qv6A1 LYS 70 HA 0.01 0.06 0.47 -0.75 4.32 4.11 2qv6A1 LYS 70 HB2 0.01 0.04 0.12 -0.04 1.87 1.99 2qv6A1 LYS 70 HB3 -0.01 0.11 0.15 -0.04 1.79 2.00 2qv6A1 LYS 70 HG2 -0.01 -0.01 -0.13 -0.04 1.46 1.27 2qv6A1 LYS 70 HG3 -0.00 0.02 0.06 -0.04 1.46 1.49 2qv6A1 LYS 70 HD2 -0.00 0.00 0.00 -0.04 1.69 1.65 2qv6A1 LYS 70 HD3 -0.00 -0.04 -0.01 -0.04 1.68 1.59 2qv6A1 LYS 70 HE2 -0.00 -0.01 -0.02 -0.04 2.99 2.92 2qv6A1 LYS 70 HE3 -0.00 0.04 0.00 -0.04 2.99 2.99 2qv6A1 ARG 71 H -0.05 0.40 -0.21 -0.55 8.46 8.05 2qv6A1 ARG 71 HA -0.03 0.05 0.47 -0.75 4.34 4.08 2qv6A1 ARG 71 HB2 -0.07 0.05 0.06 -0.04 1.90 1.90 2qv6A1 ARG 71 HB3 -0.04 -0.02 0.06 -0.04 1.80 1.76 2qv6A1 ARG 71 HG2 -0.03 -0.04 0.04 -0.04 1.67 1.59 2qv6A1 ARG 71 HG3 -0.05 0.05 0.04 -0.04 1.67 1.67 2qv6A1 ARG 71 HD2 -0.02 -0.01 -0.02 -0.04 3.22 3.13 2qv6A1 ARG 71 HD3 -0.02 -0.05 -0.05 -0.04 3.22 3.06 2qv6A1 ILE 72 H -0.15 0.49 -0.17 -0.55 8.25 7.87 2qv6A1 ILE 72 HA -0.14 0.04 0.54 -0.75 4.18 3.87 2qv6A1 ILE 72 HB -0.34 0.10 0.08 -0.04 1.89 1.70 2qv6A1 ILE 72 HG12 -0.31 -0.04 -0.07 -0.04 1.49 1.03 2qv6A1 ILE 72 HG13 -0.36 0.19 0.00 -0.04 1.21 1.00 2qv6A1 ILE 72 HG23 -0.31 -0.02 -0.16 -0.04 0.93 0.41 2qv6A1 ILE 72 HD13 -1.21 -0.00 -0.22 -0.04 0.88 -0.59 2qv6A1 GLN 73 H -0.05 0.56 -0.15 -0.55 8.47 8.29 2qv6A1 GLN 73 HA -0.01 -0.02 0.46 -0.75 4.36 4.03 2qv6A1 GLN 73 HB2 0.01 0.07 0.12 -0.04 2.15 2.31 2qv6A1 GLN 73 HB3 -0.01 0.14 0.14 -0.04 2.02 2.25 2qv6A1 GLN 73 HG2 -0.00 -0.06 -0.02 -0.04 2.40 2.28 2qv6A1 GLN 73 HG3 -0.00 -0.00 0.10 -0.04 2.39 2.45 2qv6A1 GLN 73 HE21 -0.03 0.22 -0.10 -0.04 6.97 7.01 2qv6A1 GLN 73 HE22 -0.01 0.44 0.25 -0.04 7.69 8.33 2qv6A1 GLU 74 H -0.03 0.46 -0.21 -0.55 8.60 8.28 2qv6A1 GLU 74 HA -0.01 0.03 0.48 -0.75 4.29 4.04 2qv6A1 GLU 74 HB2 -0.01 0.03 0.11 -0.04 2.09 2.17 2qv6A1 GLU 74 HB3 -0.02 0.08 0.15 -0.04 1.99 2.16 2qv6A1 GLU 74 HG2 -0.01 0.00 -0.19 -0.04 2.34 2.11 2qv6A1 GLU 74 HG3 -0.01 -0.02 0.03 -0.04 2.34 2.30 2qv6A1 SER 75 H -0.03 0.43 -0.21 -0.55 8.46 8.11 2qv6A1 SER 75 HA -0.00 0.03 0.48 -0.75 4.49 4.25 2qv6A1 SER 75 HB2 -0.03 0.02 0.12 -0.04 3.95 4.02 2qv6A1 SER 75 HB3 -0.03 0.09 0.14 -0.04 3.93 4.09 2qv6A1 ILE 76 H 0.00 0.45 -0.18 -0.55 8.25 7.96 2qv6A1 ILE 76 HA 0.18 0.00 0.39 -0.75 4.18 4.00 2qv6A1 ILE 76 HB -0.01 0.10 0.13 -0.04 1.89 2.08 2qv6A1 ILE 76 HG12 -0.03 0.24 0.05 -0.04 1.49 1.71 2qv6A1 ILE 76 HG13 -0.06 -0.07 -0.05 -0.04 1.21 0.99 2qv6A1 ILE 76 HG23 -0.16 0.00 -0.14 -0.04 0.93 0.59 2qv6A1 ILE 76 HD13 -0.13 -0.02 -0.07 -0.04 0.88 0.62 2qv6A1 ARG 77 H 0.02 0.44 -0.09 -0.55 8.46 8.27 2qv6A1 ARG 77 HA 0.01 0.15 0.53 -0.75 4.34 4.28 2qv6A1 ARG 77 HB2 0.01 -0.04 0.18 -0.04 1.90 2.01 2qv6A1 ARG 77 HB3 0.01 0.12 0.16 -0.04 1.80 2.04 2qv6A1 ARG 77 HG2 0.00 0.02 -0.19 -0.04 1.67 1.46 2qv6A1 ARG 77 HG3 0.01 -0.01 0.05 -0.04 1.67 1.68 2qv6A1 ARG 77 HD2 0.01 -0.03 -0.02 -0.04 3.22 3.13 2qv6A1 ARG 77 HD3 0.01 -0.03 0.01 -0.04 3.22 3.17 2qv6A1 ASN 78 H 0.02 0.34 -0.37 -0.55 8.53 7.97 2qv6A1 ASN 78 HA -0.01 0.06 0.49 -0.75 4.76 4.55 2qv6A1 ASN 78 HB2 -0.00 0.12 0.09 -0.04 2.88 3.05 2qv6A1 ASN 78 HB3 -0.02 -0.08 0.05 -0.04 2.79 2.71 2qv6A1 ASN 78 HD21 -0.01 -0.09 -0.03 -0.04 7.03 6.86 2qv6A1 ASN 78 HD22 -0.01 -0.04 -0.03 -0.04 7.74 7.63 2qv6A1 ARG 79 H 0.03 0.29 -0.23 -0.55 8.46 7.99 2qv6A1 ARG 79 HA -0.12 0.17 0.97 -0.75 4.34 4.60 2qv6A1 ARG 79 HB2 -0.04 0.03 0.01 -0.04 1.90 1.86 2qv6A1 ARG 79 HB3 -0.23 -0.09 0.12 -0.04 1.80 1.56 2qv6A1 ARG 79 HG2 -0.06 0.02 -0.12 -0.04 1.67 1.47 2qv6A1 ARG 79 HG3 -0.02 0.05 -0.23 -0.04 1.67 1.43 2qv6A1 ARG 79 HD2 -0.05 -0.06 -0.02 -0.04 3.22 3.05 2qv6A1 ARG 79 HD3 -0.02 -0.05 -0.04 -0.04 3.22 3.06 2qv6A1 TYR 80 H -0.01 0.36 0.08 -0.55 8.29 8.18 2qv6A1 TYR 80 HA -0.30 0.16 0.97 -0.75 4.56 4.63 2qv6A1 TYR 80 HB2 -0.38 0.26 0.11 -0.04 3.06 3.02 2qv6A1 TYR 80 HB3 -1.30 -0.10 0.06 -0.04 2.98 1.59 2qv6A1 TYR 80 HD2 -0.27 0.05 0.01 -0.04 7.15 6.89 2qv6A1 TYR 80 HE2 -0.00 -0.00 -0.05 -0.04 6.85 6.75 2qv6A1 PRO 81 HA -0.11 0.17 0.62 -0.51 4.44 4.61 2qv6A1 PRO 81 HB2 -0.02 0.03 0.14 -0.04 2.28 2.39 2qv6A1 PRO 81 HB3 0.13 0.01 0.11 -0.04 2.02 2.23 2qv6A1 PRO 81 HG2 -0.68 0.01 -0.02 -0.04 2.03 1.30 2qv6A1 PRO 81 HG3 0.09 -0.00 0.05 -0.04 2.03 2.13 2qv6A1 PRO 81 HD2 -0.62 0.06 0.19 -0.04 3.68 3.27 2qv6A1 PRO 81 HD3 -0.23 0.14 0.16 -0.04 3.65 3.68 2qv6A1 PHE 82 H -0.57 0.24 -0.50 -0.55 8.34 6.96 2qv6A1 PHE 82 HA -0.18 0.14 0.66 -0.75 4.62 4.48 2qv6A1 PHE 82 HB2 -0.25 0.03 0.12 -0.04 3.15 3.02 2qv6A1 PHE 82 HB3 -0.58 0.10 -0.12 -0.04 3.06 2.42 2qv6A1 PHE 82 HD2 -0.62 0.05 -0.34 -0.04 7.28 6.33 2qv6A1 PHE 82 HE2 -0.35 -0.03 -0.11 -0.04 7.38 6.85 2qv6A1 PHE 82 HZ -0.22 -0.00 -0.08 -0.04 7.32 6.97 2qv6A1 THR 83 H 0.10 0.16 0.17 -0.55 8.28 8.16 2qv6A1 THR 83 HA 0.08 0.26 0.87 -0.75 4.39 4.85 2qv6A1 THR 83 HB 0.02 -0.01 0.12 -0.04 4.32 4.41 2qv6A1 THR 83 HG23 0.02 0.02 -0.08 -0.04 1.22 1.14 2qv6A1 VAL 84 H 0.01 0.27 0.21 -0.55 8.24 8.18 2qv6A1 VAL 84 HA -0.06 0.21 1.13 -0.75 4.13 4.66 2qv6A1 VAL 84 HB -0.05 0.04 0.00 -0.04 2.12 2.08 2qv6A1 VAL 84 HG13 -0.09 -0.01 -0.27 -0.04 0.97 0.57 2qv6A1 VAL 84 HG23 -0.00 -0.00 -0.07 -0.04 0.95 0.84 2qv6A1 SER 85 H -0.05 0.51 0.36 -0.55 8.46 8.74 2qv6A1 SER 85 HA -0.05 0.33 0.90 -0.75 4.49 4.92 2qv6A1 SER 85 HB2 -0.05 0.01 0.07 -0.04 3.95 3.94 2qv6A1 SER 85 HB3 -0.09 0.02 -0.01 -0.04 3.93 3.81 2qv6A1 MET 86 H -0.06 0.74 0.14 -0.55 8.47 8.74 2qv6A1 MET 86 HA -0.01 0.35 1.05 -0.75 4.52 5.16 2qv6A1 MET 86 HB2 0.04 -0.02 0.06 -0.04 2.15 2.20 2qv6A1 MET 86 HB3 0.10 -0.04 -0.08 -0.04 2.03 1.97 2qv6A1 MET 86 HG2 0.08 0.01 -0.14 -0.04 2.63 2.54 2qv6A1 MET 86 HG3 0.04 -0.02 -0.54 -0.04 2.56 2.01 2qv6A1 MET 86 HE3 0.08 -0.01 -0.10 -0.04 2.10 2.03 2qv6A1 VAL 87 H -0.04 0.49 0.26 -0.55 8.24 8.40 2qv6A1 VAL 87 HA -0.07 0.18 0.96 -0.75 4.13 4.44 2qv6A1 VAL 87 HB -0.04 0.02 0.07 -0.04 2.12 2.13 2qv6A1 VAL 87 HG13 -0.02 -0.02 -0.14 -0.04 0.97 0.75 2qv6A1 VAL 87 HG23 -0.09 -0.02 -0.25 -0.04 0.95 0.55 2qv6A1 ILE 88 H -0.08 0.57 0.37 -0.55 8.25 8.56 2qv6A1 ILE 88 HA -0.06 0.28 1.02 -0.75 4.18 4.67 2qv6A1 ILE 88 HB -0.13 -0.04 0.13 -0.04 1.89 1.81 2qv6A1 ILE 88 HG12 -0.24 0.01 -0.16 -0.04 1.49 1.06 2qv6A1 ILE 88 HG13 -0.22 0.01 -0.19 -0.04 1.21 0.77 2qv6A1 ILE 88 HG23 -0.08 -0.00 -0.11 -0.04 0.93 0.70 2qv6A1 ILE 88 HD13 -0.80 0.00 -0.13 -0.04 0.88 -0.09 2qv6A1 ALA 89 H -0.03 0.64 0.44 -0.55 8.40 8.90 2qv6A1 ALA 89 HA -0.02 -0.11 0.73 -0.75 4.34 4.18 2qv6A1 ALA 89 HB3 -0.03 0.09 0.06 -0.04 1.41 1.50 2qv6A1 SER 90 H -0.02 0.08 0.30 -0.55 8.46 8.28 2qv6A1 SER 90 HA -0.02 0.34 1.11 -0.75 4.49 5.17 2qv6A1 SER 90 HB2 -0.01 -0.04 0.00 -0.04 3.95 3.86 2qv6A1 SER 90 HB3 -0.01 0.04 -0.09 -0.04 3.93 3.83 2qv6A1 ALA 91 H -0.02 0.62 0.29 -0.55 8.40 8.74 2qv6A1 ALA 91 HA -0.00 0.08 0.45 -0.75 4.34 4.12 2qv6A1 ALA 91 HB3 -0.00 0.04 -0.07 -0.04 1.41 1.33 2qv6A1 GLU 92 H 0.01 0.15 0.17 -0.55 8.60 8.39 2qv6A1 GLU 92 HA -0.02 0.08 0.45 -0.75 4.29 4.05 2qv6A1 GLU 92 HB2 0.02 -0.02 0.14 -0.04 2.09 2.19 2qv6A1 GLU 92 HB3 0.02 0.06 0.06 -0.04 1.99 2.10 2qv6A1 GLU 92 HG2 0.02 0.03 0.03 -0.04 2.34 2.37 2qv6A1 GLU 92 HG3 0.02 -0.02 0.07 -0.04 2.34 2.36 2qv6A1 THR 93 H 0.02 -0.01 -0.03 -0.55 8.28 7.71 2qv6A1 THR 93 HA 0.01 0.35 0.99 -0.75 4.39 4.98 2qv6A1 THR 93 HB 0.06 0.29 0.21 -0.04 4.32 4.83 2qv6A1 THR 93 HG23 0.04 0.04 -0.07 -0.04 1.22 1.19 2qv6A1 PRO 94 HA 0.02 0.04 0.50 -0.51 4.44 4.49 2qv6A1 PRO 94 HB2 0.07 0.12 0.03 -0.04 2.28 2.46 2qv6A1 PRO 94 HB3 0.07 -0.02 0.06 -0.04 2.02 2.09 2qv6A1 PRO 94 HG2 0.05 0.20 -0.22 -0.04 2.03 2.02 2qv6A1 PRO 94 HG3 0.03 -0.08 0.04 -0.04 2.03 1.98 2qv6A1 PRO 94 HD2 0.05 0.41 0.27 -0.04 3.68 4.37 2qv6A1 PRO 94 HD3 0.01 0.10 0.25 -0.04 3.65 3.97 2qv6A1 TYR 95 H 0.15 0.51 -0.12 -0.55 8.29 8.28 2qv6A1 TYR 95 HA -0.00 0.06 0.28 -0.75 4.56 4.14 2qv6A1 TYR 95 HB2 -0.02 0.07 -0.14 -0.04 3.06 2.93 2qv6A1 TYR 95 HB3 -0.01 -0.01 0.08 -0.04 2.98 3.00 2qv6A1 TYR 95 HD2 -0.02 -0.01 -0.18 -0.04 7.15 6.90 2qv6A1 TYR 95 HE2 -0.02 0.01 -0.06 -0.04 6.85 6.74 2qv6A1 GLU 96 H 0.13 0.10 -0.17 -0.55 8.60 8.11 2qv6A1 GLU 96 HA 0.03 0.08 0.40 -0.75 4.29 4.04 2qv6A1 GLU 96 HB2 0.03 -0.01 0.12 -0.04 2.09 2.20 2qv6A1 GLU 96 HB3 0.02 0.03 -0.01 -0.04 1.99 1.98 2qv6A1 GLU 96 HG2 0.06 0.06 0.05 -0.04 2.34 2.47 2qv6A1 GLU 96 HG3 0.11 0.02 0.06 -0.04 2.34 2.49 2qv6A1 ALA 97 H -0.01 0.48 -0.27 -0.55 8.40 8.05 2qv6A1 ALA 97 HA -0.03 0.00 0.12 -0.75 4.34 3.69 2qv6A1 ALA 97 HB3 -0.02 0.06 0.00 -0.04 1.41 1.42 2qv6A1 GLN 98 H -0.08 0.54 -0.12 -0.55 8.47 8.26 2qv6A1 GLN 98 HA -0.06 0.03 0.41 -0.75 4.36 3.99 2qv6A1 GLN 98 HB2 -0.06 -0.03 0.01 -0.04 2.15 2.03 2qv6A1 GLN 98 HB3 -0.03 -0.02 0.03 -0.04 2.02 1.96 2qv6A1 GLN 98 HG2 -0.05 -0.06 -0.05 -0.04 2.40 2.20 2qv6A1 GLN 98 HG3 -0.18 0.16 0.12 -0.04 2.39 2.44 2qv6A1 GLN 98 HE21 -0.53 -0.03 -0.08 -0.04 6.97 6.29 2qv6A1 GLN 98 HE22 -0.97 0.07 0.03 -0.04 7.69 6.78 2qv6A1 LYS 99 H -0.23 0.45 -0.27 -0.55 8.42 7.82 2qv6A1 LYS 99 HA -0.16 0.03 0.43 -0.75 4.32 3.86 2qv6A1 LYS 99 HB2 -0.50 0.06 0.09 -0.04 1.87 1.48 2qv6A1 LYS 99 HB3 -0.17 0.11 0.17 -0.04 1.79 1.86 2qv6A1 LYS 99 HG2 -0.05 -0.02 -0.20 -0.04 1.46 1.15 2qv6A1 LYS 99 HG3 -0.09 -0.02 0.00 -0.04 1.46 1.31 2qv6A1 LYS 99 HD2 0.04 0.01 -0.04 -0.04 1.69 1.65 2qv6A1 LYS 99 HD3 0.02 -0.01 -0.03 -0.04 1.68 1.61 2qv6A1 LYS 99 HE2 0.07 0.00 -0.03 -0.04 2.99 2.99 2qv6A1 LYS 99 HE3 0.09 -0.00 -0.03 -0.04 2.99 3.00 2qv6A1 LEU 100 H -0.07 0.56 -0.05 -0.55 8.37 8.26 2qv6A1 LEU 100 HA -0.02 0.05 0.49 -0.75 4.35 4.10 2qv6A1 LEU 100 HB2 -0.03 0.09 0.12 -0.04 1.64 1.79 2qv6A1 LEU 100 HB3 -0.02 -0.06 -0.01 -0.04 1.64 1.51 2qv6A1 LEU 100 HG -0.02 0.16 0.06 -0.04 1.64 1.80 2qv6A1 LEU 100 HD13 -0.01 -0.01 0.01 -0.04 0.93 0.89 2qv6A1 LEU 100 HD23 -0.01 -0.01 0.00 -0.04 0.89 0.83 2qv6A1 ALA 101 H -0.04 0.53 -0.15 -0.55 8.40 8.20 2qv6A1 ALA 101 HA -0.02 -0.03 0.24 -0.75 4.34 3.78 2qv6A1 ALA 101 HB3 -0.03 0.04 -0.01 -0.04 1.41 1.36 2qv6A1 THR 102 H -0.04 0.59 -0.27 -0.55 8.28 8.00 2qv6A1 THR 102 HA -0.01 -0.01 0.31 -0.75 4.39 3.92 2qv6A1 THR 102 HB -0.04 0.10 0.08 -0.04 4.32 4.42 2qv6A1 THR 102 HG23 -0.01 -0.03 -0.02 -0.04 1.22 1.12 2qv6A1 GLU 103 H -0.02 0.41 -0.32 -0.55 8.60 8.13 2qv6A1 GLU 103 HA 0.01 0.01 0.35 -0.75 4.29 3.90 2qv6A1 GLU 103 HB2 -0.01 0.12 0.22 -0.04 2.09 2.38 2qv6A1 GLU 103 HB3 0.00 -0.04 -0.03 -0.04 1.99 1.88 2qv6A1 GLU 103 HG2 -0.00 -0.04 0.02 -0.04 2.34 2.27 2qv6A1 GLU 103 HG3 -0.01 0.02 0.03 -0.04 2.34 2.34 2qv6A1 THR 104 H 0.02 0.46 -0.12 -0.55 8.28 8.09 2qv6A1 THR 104 HA 0.07 0.05 0.47 -0.75 4.39 4.23 2qv6A1 THR 104 HB 0.04 0.07 0.04 -0.04 4.32 4.43 2qv6A1 THR 104 HG23 0.18 -0.01 -0.16 -0.04 1.22 1.18 2qv6A1 LEU 105 H 0.04 0.43 -0.27 -0.55 8.37 8.02 2qv6A1 LEU 105 HA 0.05 -0.01 0.31 -0.75 4.35 3.94 2qv6A1 LEU 105 HB2 -0.01 -0.00 0.03 -0.04 1.64 1.62 2qv6A1 LEU 105 HB3 0.01 0.15 0.12 -0.04 1.64 1.88 2qv6A1 LEU 105 HG 0.01 0.05 -0.21 -0.04 1.64 1.45 2qv6A1 LEU 105 HD13 -0.05 -0.02 -0.13 -0.04 0.93 0.68 2qv6A1 LEU 105 HD23 -0.02 -0.02 -0.12 -0.04 0.89 0.70 2qv6A1 GLN 106 H 0.05 0.47 -0.27 -0.55 8.47 8.17 2qv6A1 GLN 106 HA 0.05 0.10 0.22 -0.75 4.36 3.97 2qv6A1 GLN 106 HB2 0.02 0.12 0.10 -0.04 2.15 2.35 2qv6A1 GLN 106 HB3 0.02 -0.07 0.01 -0.04 2.02 1.94 2qv6A1 GLN 106 HG2 0.02 -0.09 -0.01 -0.04 2.40 2.28 2qv6A1 GLN 106 HG3 0.02 0.12 0.06 -0.04 2.39 2.55 2qv6A1 GLN 106 HE21 0.01 -0.03 -0.05 -0.04 6.97 6.86 2qv6A1 GLN 106 HE22 0.01 -0.05 -0.03 -0.04 7.69 7.58 2qv6A1 GLU 107 H 0.06 0.35 -0.28 -0.55 8.60 8.19 2qv6A1 GLU 107 HA -0.01 -0.02 0.46 -0.75 4.29 3.97 2qv6A1 GLU 107 HB2 0.01 0.09 0.16 -0.04 2.09 2.31 2qv6A1 GLU 107 HB3 -0.00 0.17 0.09 -0.04 1.99 2.20 2qv6A1 GLU 107 HG2 -0.13 -0.00 -0.04 -0.04 2.34 2.13 2qv6A1 GLU 107 HG3 -0.05 -0.05 0.05 -0.04 2.34 2.26 2qv6A1 TYR 108 H 0.25 0.41 -0.34 -0.55 8.29 8.05 2qv6A1 TYR 108 HA 0.00 0.02 0.55 -0.75 4.56 4.38 2qv6A1 TYR 108 HB2 -0.00 0.26 0.11 -0.04 3.06 3.39 2qv6A1 TYR 108 HB3 0.00 -0.10 -0.03 -0.04 2.98 2.82 2qv6A1 TYR 108 HD2 -0.00 0.23 0.03 -0.04 7.15 7.37 2qv6A1 TYR 108 HE2 -0.01 -0.03 -0.05 -0.04 6.85 6.72 2qv6A1 GLY 109 H 0.10 0.30 -0.25 -0.55 8.43 8.03 2qv6A1 GLY 109 HA2 0.04 -0.01 0.22 -0.51 4.01 3.76 2qv6A1 GLY 109 HA3 0.06 0.14 0.84 -0.51 4.01 4.54 2qv6A1 SER 110 H 0.04 0.10 0.12 -0.55 8.46 8.17 2qv6A1 SER 110 HA 0.03 0.08 0.42 -0.75 4.49 4.27 2qv6A1 SER 110 HB2 0.03 0.09 0.09 -0.04 3.95 4.11 2qv6A1 SER 110 HB3 0.03 0.01 -0.05 -0.04 3.93 3.89 2qv6A1 ALA 111 H 0.03 0.17 0.17 -0.55 8.40 8.23 2qv6A1 ALA 111 HA 0.03 0.14 0.51 -0.75 4.34 4.26 2qv6A1 ALA 111 HB3 0.03 0.02 0.11 -0.04 1.41 1.53 2qv6A1 GLN 112 H 0.04 0.00 -0.56 -0.55 8.47 7.41 2qv6A1 GLN 112 HA 0.06 0.14 0.70 -0.75 4.36 4.50 2qv6A1 GLN 112 HB2 0.04 0.00 0.10 -0.04 2.15 2.25 2qv6A1 GLN 112 HB3 0.05 0.04 0.16 -0.04 2.02 2.23 2qv6A1 GLN 112 HG2 0.06 0.06 -0.11 -0.04 2.40 2.37 2qv6A1 GLN 112 HG3 0.04 -0.06 -0.24 -0.04 2.39 2.09 2qv6A1 GLN 112 HE21 0.04 0.05 -0.03 -0.04 6.97 6.99 2qv6A1 GLN 112 HE22 0.05 -0.04 -0.02 -0.04 7.69 7.65 2qv6A1 ASP 113 H 0.04 0.48 -0.14 -0.55 8.40 8.23 2qv6A1 ASP 113 HA 0.04 0.12 0.85 -0.75 4.63 4.89 2qv6A1 ASP 113 HB2 0.04 -0.09 0.06 -0.04 2.71 2.68 2qv6A1 ASP 113 HB3 0.04 0.19 0.22 -0.04 2.70 3.10 2qv6A1 GLU 114 H 0.05 0.20 0.03 -0.55 8.60 8.33 2qv6A1 GLU 114 HA 0.06 0.12 0.27 -0.75 4.29 3.98 2qv6A1 GLU 114 HB2 0.06 0.06 0.03 -0.04 2.09 2.19 2qv6A1 GLU 114 HB3 0.06 0.02 0.06 -0.04 1.99 2.09 2qv6A1 GLU 114 HG2 0.04 -0.02 0.05 -0.04 2.34 2.36 2qv6A1 GLU 114 HG3 0.04 -0.02 -0.12 -0.04 2.34 2.20 2qv6A1 ASN 115 H 0.04 -0.02 -0.35 -0.55 8.53 7.65 2qv6A1 ASN 115 HA 0.04 0.15 0.62 -0.75 4.76 4.81 2qv6A1 ASN 115 HB2 0.03 -0.03 -0.01 -0.04 2.88 2.83 2qv6A1 ASN 115 HB3 0.03 0.04 0.04 -0.04 2.79 2.86 2qv6A1 ASN 115 HD21 0.03 -0.01 -0.04 -0.04 7.03 6.97 2qv6A1 ASN 115 HD22 0.03 0.07 -0.01 -0.04 7.74 7.79 2qv6A1 ARG 116 H 0.04 0.31 -0.33 -0.55 8.46 7.93 2qv6A1 ARG 116 HA 0.05 0.14 0.74 -0.75 4.34 4.51 2qv6A1 ARG 116 HB2 0.05 -0.10 0.05 -0.04 1.90 1.86 2qv6A1 ARG 116 HB3 0.04 0.05 0.16 -0.04 1.80 2.01 2qv6A1 ARG 116 HG2 0.05 -0.05 -0.22 -0.04 1.67 1.41 2qv6A1 ARG 116 HG3 0.11 0.21 -0.21 -0.04 1.67 1.73 2qv6A1 ARG 116 HD2 0.06 0.01 -0.29 -0.04 3.22 2.96 2qv6A1 ARG 116 HD3 0.06 -0.02 -0.50 -0.04 3.22 2.72 2qv6A1 LYS 117 H 0.03 0.36 0.01 -0.55 8.42 8.27 2qv6A1 LYS 117 HA 0.00 0.06 0.54 -0.75 4.32 4.17 2qv6A1 LYS 117 HB2 0.02 -0.07 -0.02 -0.04 1.87 1.76 2qv6A1 LYS 117 HB3 0.03 0.10 -0.15 -0.04 1.79 1.72 2qv6A1 LYS 117 HG2 0.03 0.08 -0.16 -0.04 1.46 1.37 2qv6A1 LYS 117 HG3 0.02 -0.01 -0.12 -0.04 1.46 1.31 2qv6A1 LYS 117 HD2 0.03 -0.02 -0.06 -0.04 1.69 1.60 2qv6A1 LYS 117 HD3 0.03 -0.04 -0.08 -0.04 1.68 1.55 2qv6A1 LYS 117 HE2 0.04 0.35 -0.04 -0.04 2.99 3.30 2qv6A1 LYS 117 HE3 0.05 -0.05 -0.04 -0.04 2.99 2.91 2qv6A1 GLU 118 H -0.01 0.10 -0.06 -0.55 8.60 8.08 2qv6A1 GLU 118 HA -0.03 0.24 0.28 -0.75 4.29 4.03 2qv6A1 GLU 118 HB2 -0.01 0.08 -0.16 -0.04 2.09 1.97 2qv6A1 GLU 118 HB3 -0.01 -0.00 0.18 -0.04 1.99 2.11 2qv6A1 GLU 118 HG2 -0.00 0.17 0.12 -0.04 2.34 2.58 2qv6A1 GLU 118 HG3 0.00 -0.11 -0.05 -0.04 2.34 2.14 2qv6A1 VAL 119 H -0.08 -0.02 -0.24 -0.55 8.24 7.35 2qv6A1 VAL 119 HA -0.22 0.12 0.52 -0.75 4.13 3.79 2qv6A1 VAL 119 HB -0.21 -0.12 -0.04 -0.04 2.12 1.71 2qv6A1 VAL 119 HG13 -0.82 0.02 -0.16 -0.04 0.97 -0.04 2qv6A1 VAL 119 HG23 -0.18 0.02 -0.13 -0.04 0.95 0.63 2qv6A1 LEU 120 H -0.20 0.25 0.08 -0.55 8.37 7.96 2qv6A1 LEU 120 HA -0.09 0.44 0.59 -0.75 4.35 4.53 2qv6A1 LEU 120 HB2 -0.04 0.12 0.01 -0.04 1.64 1.69 2qv6A1 LEU 120 HB3 -0.05 -0.01 0.13 -0.04 1.64 1.67 2qv6A1 LEU 120 HG -0.04 -0.07 -0.13 -0.04 1.64 1.36 2qv6A1 LEU 120 HD13 -0.02 -0.00 -0.03 -0.04 0.93 0.84 2qv6A1 LEU 120 HD23 0.00 0.00 -0.04 -0.04 0.89 0.81 2qv6A1 ASP 121 H -0.10 0.44 0.34 -0.55 8.40 8.53 2qv6A1 ASP 121 HA -0.03 0.13 0.72 -0.75 4.63 4.69 2qv6A1 ASP 121 HB2 -0.14 -0.03 -0.29 -0.04 2.71 2.21 2qv6A1 ASP 121 HB3 -0.00 -0.03 -0.13 -0.04 2.70 2.50 2qv6A1 VAL 122 H -0.01 0.28 0.15 -0.55 8.24 8.12 2qv6A1 VAL 122 HA -0.05 0.15 0.94 -0.75 4.13 4.42 2qv6A1 VAL 122 HB -0.02 0.07 -0.00 -0.04 2.12 2.12 2qv6A1 VAL 122 HG13 -0.03 -0.03 -0.40 -0.04 0.97 0.47 2qv6A1 VAL 122 HG23 -0.07 -0.01 -0.17 -0.04 0.95 0.65 2qv6A1 ALA 123 H -0.02 0.70 0.30 -0.55 8.40 8.83 2qv6A1 ALA 123 HA 0.02 0.10 0.45 -0.75 4.34 4.15 2qv6A1 ALA 123 HB3 -0.00 -0.03 0.04 -0.04 1.41 1.37 2qv6A1 ASN 124 H -0.01 -0.06 0.08 -0.55 8.53 8.00 2qv6A1 ASN 124 HA -0.00 0.29 0.97 -0.75 4.76 5.26 2qv6A1 ASN 124 HB2 -0.00 0.03 0.05 -0.04 2.88 2.92 2qv6A1 ASN 124 HB3 -0.00 0.07 0.03 -0.04 2.79 2.85 2qv6A1 ASN 124 HD21 -0.01 0.67 0.28 -0.04 7.03 7.93 2qv6A1 ASN 124 HD22 -0.00 -0.02 0.08 -0.04 7.74 7.75 2qv6A1 GLU 125 H -0.01 0.12 0.20 -0.55 8.60 8.37 2qv6A1 GLU 125 HA -0.01 0.16 0.63 -0.75 4.29 4.32 2qv6A1 GLU 125 HB2 -0.00 0.09 0.01 -0.04 2.09 2.14 2qv6A1 GLU 125 HB3 -0.00 0.15 -0.14 -0.04 1.99 1.95 2qv6A1 GLU 125 HG2 -0.00 -0.06 -0.17 -0.04 2.34 2.06 2qv6A1 GLU 125 HG3 -0.00 -0.07 -0.22 -0.04 2.34 2.01 2qv6A1 LEU 126 H -0.01 0.18 0.09 -0.55 8.37 8.09 2qv6A1 LEU 126 HA -0.01 0.08 0.71 -0.75 4.35 4.37 2qv6A1 LEU 126 HB2 0.00 0.01 0.03 -0.04 1.64 1.64 2qv6A1 LEU 126 HB3 0.01 0.09 -0.08 -0.04 1.64 1.61 2qv6A1 LEU 126 HG -0.02 -0.02 -0.03 -0.04 1.64 1.53 2qv6A1 LEU 126 HD13 -0.00 -0.00 -0.02 -0.04 0.93 0.87 2qv6A1 LEU 126 HD23 -0.06 0.03 -0.10 -0.04 0.89 0.73 2qv6A1 VAL 127 H 0.01 0.10 0.03 -0.55 8.24 7.83 2qv6A1 VAL 127 HA 0.01 0.05 0.35 -0.75 4.13 3.78 2qv6A1 VAL 127 HB 0.02 -0.12 0.14 -0.04 2.12 2.12 2qv6A1 VAL 127 HG13 0.02 0.07 -0.25 -0.04 0.97 0.78 2qv6A1 VAL 127 HG23 -0.00 0.01 -0.22 -0.04 0.95 0.69 2qv6A1 VAL 128 H 0.01 0.16 0.15 -0.55 8.24 8.02 2qv6A1 VAL 128 HA 0.02 0.10 0.60 -0.75 4.13 4.09 2qv6A1 VAL 128 HB 0.01 0.02 0.04 -0.04 2.12 2.15 2qv6A1 VAL 128 HG13 0.01 0.02 0.02 -0.04 0.97 0.99 2qv6A1 VAL 128 HG23 0.01 0.01 0.09 -0.04 0.95 1.02 2qv6A1 ASP 129 H 0.02 0.11 -0.04 -0.55 8.40 7.95 2qv6A1 ASP 129 HA 0.03 0.21 0.92 -0.75 4.63 5.03 2qv6A1 ASP 129 HB2 0.01 -0.05 0.16 -0.04 2.71 2.78 2qv6A1 ASP 129 HB3 0.00 0.04 0.07 -0.04 2.70 2.77 2qv6A1 GLY 130 H 0.06 0.19 -0.02 -0.55 8.43 8.11 2qv6A1 GLY 130 HA2 0.14 0.18 0.77 -0.51 4.01 4.59 2qv6A1 GLY 130 HA3 0.06 0.20 0.38 -0.51 4.01 4.14 2qv6A1 TYR 131 H -0.05 0.42 0.19 -0.55 8.29 8.30 2qv6A1 TYR 131 HA 0.05 0.14 0.52 -0.75 4.56 4.52 2qv6A1 TYR 131 HB2 0.06 0.03 0.06 -0.04 3.06 3.16 2qv6A1 TYR 131 HB3 0.04 0.09 -0.24 -0.04 2.98 2.83 2qv6A1 TYR 131 HD2 0.04 0.04 -0.27 -0.04 7.15 6.91 2qv6A1 TYR 131 HE2 0.03 -0.02 -0.05 -0.04 6.85 6.77 2qv6A1 VAL 132 H 0.16 0.63 0.23 -0.55 8.24 8.72 2qv6A1 VAL 132 HA -0.11 0.11 0.81 -0.75 4.13 4.19 2qv6A1 VAL 132 HB 0.00 0.00 0.09 -0.04 2.12 2.17 2qv6A1 VAL 132 HG13 0.04 0.01 -0.33 -0.04 0.97 0.65 2qv6A1 VAL 132 HG23 0.07 -0.01 -0.20 -0.04 0.95 0.76 2qv6A1 GLN 133 H 0.03 0.13 0.19 -0.55 8.47 8.26 2qv6A1 GLN 133 HA 0.15 0.34 1.03 -0.75 4.36 5.12 2qv6A1 GLN 133 HB2 0.28 0.03 0.03 -0.04 2.15 2.46 2qv6A1 GLN 133 HB3 0.14 -0.15 0.04 -0.04 2.02 2.01 2qv6A1 GLN 133 HG2 0.13 -0.05 -0.42 -0.04 2.40 2.02 2qv6A1 GLN 133 HG3 0.11 0.11 -0.15 -0.04 2.39 2.43 2qv6A1 GLN 133 HE21 0.17 0.32 -0.06 -0.04 6.97 7.36 2qv6A1 GLN 133 HE22 0.21 -0.05 -0.18 -0.04 7.69 7.64 2qv6A1 ILE 134 H 0.09 0.73 0.27 -0.55 8.25 8.78 2qv6A1 ILE 134 HA 0.09 0.22 0.98 -0.75 4.18 4.71 2qv6A1 ILE 134 HB 0.08 -0.01 -0.12 -0.04 1.89 1.79 2qv6A1 ILE 134 HG12 0.12 0.04 -0.13 -0.04 1.49 1.47 2qv6A1 ILE 134 HG13 0.09 -0.09 -0.32 -0.04 1.21 0.84 2qv6A1 ILE 134 HG23 0.09 -0.01 -0.31 -0.04 0.93 0.66 2qv6A1 ILE 134 HD13 0.13 0.01 -0.10 -0.04 0.88 0.87 2qv6A1 ALA 135 H 0.08 0.59 0.23 -0.55 8.40 8.75 2qv6A1 ALA 135 HA -0.04 0.33 1.07 -0.75 4.34 4.94 2qv6A1 ALA 135 HB3 -0.27 -0.00 0.00 -0.04 1.41 1.10 2qv6A1 HIS 136 H 0.10 0.68 0.31 -0.55 8.41 8.95 2qv6A1 HIS 136 HA 0.07 0.19 0.95 -0.75 4.63 5.08 2qv6A1 HIS 136 HB2 0.03 -0.05 -0.00 -0.04 3.26 3.20 2qv6A1 HIS 136 HB3 0.01 -0.03 0.21 -0.04 3.20 3.35 2qv6A1 HIS 136 HD2 0.05 0.24 -0.00 -0.04 6.97 7.21 2qv6A1 HIS 136 HE1 0.00 -0.01 -0.05 -0.04 7.75 7.65 2qv6A1 ILE 137 H 0.28 0.51 0.30 -0.55 8.25 8.79 2qv6A1 ILE 137 HA 0.09 0.34 0.88 -0.75 4.18 4.73 2qv6A1 ILE 137 HB 0.33 -0.05 0.03 -0.04 1.89 2.16 2qv6A1 ILE 137 HG12 0.29 0.01 -0.16 -0.04 1.49 1.59 2qv6A1 ILE 137 HG13 0.14 -0.10 -0.37 -0.04 1.21 0.84 2qv6A1 ILE 137 HG23 0.10 0.01 -0.11 -0.04 0.93 0.89 2qv6A1 ILE 137 HD13 0.28 -0.01 -0.15 -0.04 0.88 0.96 2qv6A1 ASP 138 H -0.00 0.48 0.42 -0.55 8.40 8.75 2qv6A1 ASP 138 HA 0.06 0.29 0.87 -0.75 4.63 5.10 2qv6A1 ASP 138 HB2 -0.10 0.02 -0.21 -0.04 2.71 2.38 2qv6A1 ASP 138 HB3 -0.08 0.01 -0.05 -0.04 2.70 2.54 2qv6A1 ILE 139 H 0.03 0.20 0.24 -0.55 8.25 8.17 2qv6A1 ILE 139 HA -0.02 0.27 0.87 -0.75 4.18 4.54 2qv6A1 ILE 139 HB 0.04 -0.12 0.15 -0.04 1.89 1.92 2qv6A1 ILE 139 HG12 0.05 0.05 -0.10 -0.04 1.49 1.44 2qv6A1 ILE 139 HG13 0.15 -0.00 -0.10 -0.04 1.21 1.22 2qv6A1 ILE 139 HG23 0.01 0.01 -0.13 -0.04 0.93 0.77 2qv6A1 ILE 139 HD13 0.11 -0.01 -0.02 -0.04 0.88 0.92 2qv6A1 ASN 140 H -0.03 0.74 0.30 -0.55 8.53 8.99 2qv6A1 ASN 140 HA -0.02 0.04 0.63 -0.75 4.76 4.65 2qv6A1 ASN 140 HB2 -0.02 0.01 0.14 -0.04 2.88 2.96 2qv6A1 ASN 140 HB3 -0.01 0.00 -0.02 -0.04 2.79 2.72 2qv6A1 ASN 140 HD21 -0.02 0.04 -0.15 -0.04 7.03 6.85 2qv6A1 ASN 140 HD22 -0.02 -0.02 -0.09 -0.04 7.74 7.57 2qv6A1 ASN 141 H -0.01 0.18 0.18 -0.55 8.53 8.34 2qv6A1 ASN 141 HA -0.00 -0.04 0.38 -0.75 4.76 4.34 2qv6A1 ASN 141 HB2 -0.00 0.06 -0.04 -0.04 2.88 2.86 2qv6A1 ASN 141 HB3 0.00 0.20 -0.03 -0.04 2.79 2.92 2qv6A1 ASN 141 HD21 0.01 0.03 -0.03 -0.04 7.03 6.99 2qv6A1 ASN 141 HD22 0.00 0.12 -0.02 -0.04 7.74 7.80 2qv6A1 ILE 142 H 0.00 0.23 -0.16 -0.55 8.25 7.78 2qv6A1 ILE 142 HA 0.01 0.18 0.45 -0.75 4.18 4.07 2qv6A1 ILE 142 HB 0.02 0.08 0.05 -0.04 1.89 2.00 2qv6A1 ILE 142 HG12 0.03 0.03 -0.05 -0.04 1.49 1.45 2qv6A1 ILE 142 HG13 0.02 -0.15 0.06 -0.04 1.21 1.10 2qv6A1 ILE 142 HG23 0.02 -0.01 -0.05 -0.04 0.93 0.85 2qv6A1 ILE 142 HD13 0.03 0.03 0.01 -0.04 0.88 0.92 2qv6A1 THR 143 H 0.01 0.10 -0.21 -0.55 8.28 7.64 2qv6A1 THR 143 HA 0.02 0.02 0.30 -0.75 4.39 3.97 2qv6A1 THR 143 HB 0.01 0.03 0.06 -0.04 4.32 4.37 2qv6A1 THR 143 HG23 0.01 0.03 -0.05 -0.04 1.22 1.18 2qv6A1 GLY 144 H 0.01 0.06 -0.13 -0.55 8.43 7.82 2qv6A1 GLY 144 HA2 0.01 0.12 0.43 -0.51 4.01 4.06 2qv6A1 GLY 144 HA3 0.01 0.05 0.25 -0.51 4.01 3.82 2qv6A1 THR 145 H 0.01 0.23 -0.22 -0.55 8.28 7.75 2qv6A1 THR 145 HA 0.01 0.20 0.78 -0.75 4.39 4.62 2qv6A1 THR 145 HB 0.01 0.01 0.09 -0.04 4.32 4.39 2qv6A1 THR 145 HG23 0.01 -0.00 0.02 -0.04 1.22 1.21 2qv6A1 LEU 146 H 0.02 0.30 -0.06 -0.55 8.37 8.08 2qv6A1 LEU 146 HA 0.02 0.17 0.88 -0.75 4.35 4.66 2qv6A1 LEU 146 HB2 0.02 0.01 0.14 -0.04 1.64 1.77 2qv6A1 LEU 146 HB3 0.02 -0.07 -0.01 -0.04 1.64 1.55 2qv6A1 LEU 146 HG 0.02 0.04 -0.35 -0.04 1.64 1.30 2qv6A1 LEU 146 HD13 0.01 -0.00 -0.03 -0.04 0.93 0.86 2qv6A1 LEU 146 HD23 0.02 0.01 0.01 -0.04 0.89 0.88 2qv6A1 THR 147 H 0.02 0.46 0.27 -0.55 8.28 8.48 2qv6A1 THR 147 HA 0.03 0.03 0.20 -0.75 4.39 3.89 2qv6A1 THR 147 HB 0.02 -0.01 0.13 -0.04 4.32 4.42 2qv6A1 THR 147 HG23 0.03 0.00 -0.06 -0.04 1.22 1.14 2qv6A1 ASP 148 H 0.02 0.49 -0.01 -0.55 8.40 8.35 2qv6A1 ASP 148 HA 0.02 0.10 0.62 -0.75 4.63 4.62 2qv6A1 ASP 148 HB2 0.01 0.15 0.06 -0.04 2.71 2.90 2qv6A1 ASP 148 HB3 0.01 -0.02 0.09 -0.04 2.70 2.74 2qv6A1 ILE 149 H 0.02 0.20 -0.50 -0.55 8.25 7.42 2qv6A1 ILE 149 HA 0.02 0.19 0.97 -0.75 4.18 4.59 2qv6A1 ILE 149 HB 0.02 -0.04 0.01 -0.04 1.89 1.84 2qv6A1 ILE 149 HG12 0.02 -0.09 -0.44 -0.04 1.49 0.94 2qv6A1 ILE 149 HG13 0.02 -0.04 -0.15 -0.04 1.21 1.01 2qv6A1 ILE 149 HG23 0.01 -0.00 -0.25 -0.04 0.93 0.65 2qv6A1 ILE 149 HD13 0.02 0.03 0.01 -0.04 0.88 0.90 2qv6A1 VAL 150 H 0.03 0.46 0.15 -0.55 8.24 8.33 2qv6A1 VAL 150 HA 0.03 0.21 0.95 -0.75 4.13 4.56 2qv6A1 VAL 150 HB 0.04 -0.17 0.16 -0.04 2.12 2.11 2qv6A1 VAL 150 HG13 0.03 0.03 -0.04 -0.04 0.97 0.94 2qv6A1 VAL 150 HG23 0.03 0.04 -0.07 -0.04 0.95 0.90 2qv6A1 SER 151 H 0.05 0.07 0.15 -0.55 8.46 8.19 2qv6A1 SER 151 HA 0.05 0.18 0.33 -0.75 4.49 4.29 2qv6A1 SER 151 HB2 0.07 0.02 0.16 -0.04 3.95 4.17 2qv6A1 SER 151 HB3 0.06 0.12 0.17 -0.04 3.93 4.24 2qv6A1 ALA 152 H 0.06 0.20 0.19 -0.55 8.40 8.30 2qv6A1 ALA 152 HA 0.06 0.14 0.55 -0.75 4.34 4.33 2qv6A1 ALA 152 HB3 0.05 0.03 0.13 -0.04 1.41 1.58 2qv6A1 TYR 153 H 0.19 0.10 -0.15 -0.55 8.29 7.88 2qv6A1 TYR 153 HA 0.09 0.12 0.50 -0.75 4.56 4.52 2qv6A1 TYR 153 HB2 0.01 0.02 0.08 -0.04 3.06 3.13 2qv6A1 TYR 153 HB3 0.05 0.02 0.01 -0.04 2.98 3.02 2qv6A1 TYR 153 HD2 -0.02 0.00 -0.07 -0.04 7.15 7.02 2qv6A1 TYR 153 HE2 0.05 0.03 -0.02 -0.04 6.85 6.87 2qv6A1 ASP 154 H 0.13 0.10 -0.22 -0.55 8.40 7.86 2qv6A1 ASP 154 HA 0.04 0.09 0.52 -0.75 4.63 4.51 2qv6A1 ASP 154 HB2 0.06 0.04 0.11 -0.04 2.71 2.88 2qv6A1 ASP 154 HB3 0.04 0.07 0.03 -0.04 2.70 2.80 2qv6A1 THR 155 H 0.05 0.55 -0.18 -0.55 8.28 8.15 2qv6A1 THR 155 HA 0.01 0.05 0.42 -0.75 4.39 4.12 2qv6A1 THR 155 HB 0.06 0.09 0.06 -0.04 4.32 4.48 2qv6A1 THR 155 HG23 0.04 -0.02 -0.07 -0.04 1.22 1.12 2qv6A1 TYR 156 H 0.09 0.41 -0.22 -0.55 8.29 8.02 2qv6A1 TYR 156 HA -0.10 0.00 0.39 -0.75 4.56 4.11 2qv6A1 TYR 156 HB2 -0.06 -0.01 0.11 -0.04 3.06 3.06 2qv6A1 TYR 156 HB3 -0.20 0.06 0.22 -0.04 2.98 3.03 2qv6A1 TYR 156 HD2 -0.52 0.04 0.01 -0.04 7.15 6.64 2qv6A1 TYR 156 HE2 -0.08 -0.00 -0.03 -0.04 6.85 6.70 2qv6A1 LEU 157 H -0.19 0.56 -0.15 -0.55 8.37 8.05 2qv6A1 LEU 157 HA -0.43 0.00 0.52 -0.75 4.35 3.70 2qv6A1 LEU 157 HB2 -0.26 0.02 0.14 -0.04 1.64 1.50 2qv6A1 LEU 157 HB3 -0.11 0.10 0.22 -0.04 1.64 1.81 2qv6A1 LEU 157 HG -0.07 0.03 -0.15 -0.04 1.64 1.41 2qv6A1 LEU 157 HD13 -0.10 -0.02 0.02 -0.04 0.93 0.78 2qv6A1 LEU 157 HD23 0.05 -0.01 -0.00 -0.04 0.89 0.88 2qv6A1 ASN 158 H -0.10 0.65 -0.07 -0.55 8.53 8.45 2qv6A1 ASN 158 HA -0.12 0.01 0.42 -0.75 4.76 4.32 2qv6A1 ASN 158 HB2 -0.04 0.11 0.21 -0.04 2.88 3.12 2qv6A1 ASN 158 HB3 -0.05 -0.04 -0.01 -0.04 2.79 2.65 2qv6A1 ASN 158 HD21 0.01 -0.04 -0.01 -0.04 7.03 6.94 2qv6A1 ASN 158 HD22 -0.00 0.00 -0.10 -0.04 7.74 7.59 2qv6A1 VAL 159 H -0.12 0.58 -0.14 -0.55 8.24 8.00 2qv6A1 VAL 159 HA -0.03 -0.00 0.44 -0.75 4.13 3.79 2qv6A1 VAL 159 HB -0.14 0.08 0.12 -0.04 2.12 2.14 2qv6A1 VAL 159 HG13 -0.16 0.00 -0.10 -0.04 0.97 0.67 2qv6A1 VAL 159 HG23 0.02 0.03 0.04 -0.04 0.95 1.01 2qv6A1 ASN 160 H -0.32 0.54 -0.17 -0.55 8.53 8.04 2qv6A1 ASN 160 HA -0.24 -0.01 0.63 -0.75 4.76 4.39 2qv6A1 ASN 160 HB2 -0.42 0.17 0.22 -0.04 2.88 2.81 2qv6A1 ASN 160 HB3 -0.26 -0.05 0.03 -0.04 2.79 2.47 2qv6A1 ASN 160 HD21 -0.81 -0.11 0.00 -0.04 7.03 6.08 2qv6A1 ASN 160 HD22 -1.11 0.53 0.07 -0.04 7.74 7.18 2qv6A1 LYS 161 H -0.22 0.58 -0.08 -0.55 8.42 8.14 2qv6A1 LYS 161 HA -0.19 0.01 0.58 -0.75 4.32 3.97 2qv6A1 LYS 161 HB2 -0.30 0.18 0.18 -0.04 1.87 1.89 2qv6A1 LYS 161 HB3 -0.48 -0.03 -0.03 -0.04 1.79 1.21 2qv6A1 LYS 161 HG2 -0.09 -0.06 0.04 -0.04 1.46 1.31 2qv6A1 LYS 161 HG3 -0.14 0.13 0.04 -0.04 1.46 1.45 2qv6A1 LYS 161 HD2 -0.06 -0.00 -0.04 -0.04 1.69 1.55 2qv6A1 LYS 161 HD3 -0.00 0.01 -0.01 -0.04 1.68 1.65 2qv6A1 LYS 161 HE2 0.03 -0.01 -0.01 -0.04 2.99 2.95 2qv6A1 LYS 161 HE3 -0.02 -0.02 -0.03 -0.04 2.99 2.87 2qv6A1 VAL 162 H -0.29 0.51 -0.08 -0.55 8.24 7.83 2qv6A1 VAL 162 HA -0.40 0.03 0.44 -0.75 4.13 3.45 2qv6A1 VAL 162 HB -0.11 0.09 0.09 -0.04 2.12 2.15 2qv6A1 VAL 162 HG13 -0.21 -0.02 -0.18 -0.04 0.97 0.51 2qv6A1 VAL 162 HG23 -0.20 0.04 -0.01 -0.04 0.95 0.74 2qv6A1 LYS 163 H -0.21 0.47 -0.30 -0.55 8.42 7.84 2qv6A1 LYS 163 HA -0.55 -0.01 0.30 -0.75 4.32 3.30 2qv6A1 LYS 163 HB2 0.02 0.07 0.08 -0.04 1.87 2.01 2qv6A1 LYS 163 HB3 -0.14 0.20 0.16 -0.04 1.79 1.96 2qv6A1 LYS 163 HG2 -0.08 0.02 -0.27 -0.04 1.46 1.09 2qv6A1 LYS 163 HG3 -0.01 -0.08 -0.09 -0.04 1.46 1.24 2qv6A1 LYS 163 HD2 0.09 -0.07 -0.03 -0.04 1.69 1.64 2qv6A1 LYS 163 HD3 -0.13 0.05 -0.00 -0.04 1.68 1.56 2qv6A1 LYS 163 HE2 -0.00 0.05 -0.02 -0.04 2.99 2.97 2qv6A1 LYS 163 HE3 0.08 -0.10 0.02 -0.04 2.99 2.95 2qv6A1 LEU 164 H -0.16 0.50 -0.18 -0.55 8.37 7.97 2qv6A1 LEU 164 HA -0.10 0.03 0.55 -0.75 4.35 4.08 2qv6A1 LEU 164 HB2 -0.09 0.08 0.13 -0.04 1.64 1.72 2qv6A1 LEU 164 HB3 -0.09 0.08 0.11 -0.04 1.64 1.70 2qv6A1 LEU 164 HG -0.05 -0.04 -0.07 -0.04 1.64 1.45 2qv6A1 LEU 164 HD13 -0.05 -0.01 0.03 -0.04 0.93 0.86 2qv6A1 LEU 164 HD23 -0.03 0.00 -0.01 -0.04 0.89 0.81 2qv6A1 ALA 165 H -0.13 0.53 -0.12 -0.55 8.40 8.13 2qv6A1 ALA 165 HA 0.00 0.00 0.47 -0.75 4.34 4.06 2qv6A1 ALA 165 HB3 0.06 0.04 0.10 -0.04 1.41 1.57 2qv6A1 LEU 166 H -0.15 0.66 -0.20 -0.55 8.37 8.14 2qv6A1 LEU 166 HA -0.03 -0.01 0.36 -0.75 4.35 3.91 2qv6A1 LEU 166 HB2 -0.30 0.16 0.06 -0.04 1.64 1.51 2qv6A1 LEU 166 HB3 -0.13 -0.06 -0.12 -0.04 1.64 1.29 2qv6A1 LEU 166 HG -0.11 0.04 -0.05 -0.04 1.64 1.48 2qv6A1 LEU 166 HD13 -0.43 -0.02 -0.18 -0.04 0.93 0.26 2qv6A1 LEU 166 HD23 0.15 -0.02 -0.10 -0.04 0.89 0.88 2qv6A1 MET 167 H -0.12 0.40 -0.30 -0.55 8.47 7.90 2qv6A1 MET 167 HA -0.11 0.00 0.39 -0.75 4.52 4.05 2qv6A1 MET 167 HB2 -0.09 0.13 0.21 -0.04 2.15 2.35 2qv6A1 MET 167 HB3 -0.09 -0.05 -0.03 -0.04 2.03 1.81 2qv6A1 MET 167 HG2 -0.18 -0.04 0.06 -0.04 2.63 2.43 2qv6A1 MET 167 HG3 -0.14 0.17 0.04 -0.04 2.56 2.59 2qv6A1 MET 167 HE3 -0.08 -0.01 0.00 -0.04 2.10 1.97 2qv6A1 GLU 168 H -0.06 0.55 -0.05 -0.55 8.60 8.50 2qv6A1 GLU 168 HA -0.06 0.02 0.50 -0.75 4.29 4.00 2qv6A1 GLU 168 HB2 -0.03 0.07 0.13 -0.04 2.09 2.22 2qv6A1 GLU 168 HB3 -0.04 -0.04 0.04 -0.04 1.99 1.91 2qv6A1 GLU 168 HG2 -0.04 -0.07 0.06 -0.04 2.34 2.25 2qv6A1 GLU 168 HG3 -0.03 0.10 0.02 -0.04 2.34 2.39 2qv6A1 GLU 169 H -0.02 0.61 -0.06 -0.55 8.60 8.58 2qv6A1 GLU 169 HA -0.01 0.01 0.42 -0.75 4.29 3.95 2qv6A1 GLU 169 HB2 -0.00 0.09 0.10 -0.04 2.09 2.24 2qv6A1 GLU 169 HB3 0.02 -0.08 -0.10 -0.04 1.99 1.79 2qv6A1 GLU 169 HG2 0.01 0.14 0.05 -0.04 2.34 2.50 2qv6A1 GLU 169 HG3 0.03 -0.04 -0.04 -0.04 2.34 2.25 2qv6A1 LEU 170 H -0.03 0.58 -0.24 -0.55 8.37 8.13 2qv6A1 LEU 170 HA 0.08 0.00 0.43 -0.75 4.35 4.10 2qv6A1 LEU 170 HB2 -0.05 0.16 0.02 -0.04 1.64 1.73 2qv6A1 LEU 170 HB3 -0.03 -0.06 -0.16 -0.04 1.64 1.35 2qv6A1 LEU 170 HG -0.03 0.02 -0.04 -0.04 1.64 1.54 2qv6A1 LEU 170 HD13 0.04 0.00 -0.17 -0.04 0.93 0.76 2qv6A1 LEU 170 HD23 -0.22 -0.03 -0.08 -0.04 0.89 0.52 2qv6A1 LEU 171 H -0.05 0.45 -0.25 -0.55 8.37 7.98 2qv6A1 LEU 171 HA -0.10 0.04 0.43 -0.75 4.35 3.97 2qv6A1 LEU 171 HB2 -0.09 0.23 0.19 -0.04 1.64 1.93 2qv6A1 LEU 171 HB3 -0.11 0.10 0.09 -0.04 1.64 1.68 2qv6A1 LEU 171 HG -0.24 -0.04 -0.04 -0.04 1.64 1.28 2qv6A1 LEU 171 HD13 -0.31 -0.03 0.04 -0.04 0.93 0.59 2qv6A1 LEU 171 HD23 -0.08 -0.01 -0.01 -0.04 0.89 0.76 2qv6A1 LYS 172 H -0.10 0.35 -0.41 -0.55 8.42 7.71 2qv6A1 LYS 172 HA -0.21 0.03 0.50 -0.75 4.32 3.89 2qv6A1 LYS 172 HB2 -0.32 0.21 0.07 -0.04 1.87 1.79 2qv6A1 LYS 172 HB3 -0.41 -0.06 0.05 -0.04 1.79 1.32 2qv6A1 LYS 172 HG2 -0.17 -0.06 0.04 -0.04 1.46 1.23 2qv6A1 LYS 172 HG3 -0.14 -0.00 0.03 -0.04 1.46 1.31 2qv6A1 LYS 172 HD2 -0.09 -0.07 -0.01 -0.04 1.69 1.49 2qv6A1 LYS 172 HD3 -0.07 0.13 0.13 -0.04 1.68 1.82 2qv6A1 LYS 172 HE2 -0.19 -0.06 0.01 -0.04 2.99 2.71 2qv6A1 LYS 172 HE3 -0.07 -0.07 0.02 -0.04 2.99 2.83 2qv6A1 TYR 173 H 0.05 0.50 -0.33 -0.55 8.29 7.96 2qv6A1 TYR 173 HA -0.09 0.16 0.81 -0.75 4.56 4.69 2qv6A1 TYR 173 HB2 -0.13 0.10 0.09 -0.04 3.06 3.09 2qv6A1 TYR 173 HB3 -0.10 -0.05 0.12 -0.04 2.98 2.90 2qv6A1 TYR 173 HD2 -0.13 0.08 0.04 -0.04 7.15 7.09 2qv6A1 TYR 173 HE2 -0.13 0.00 -0.02 -0.04 6.85 6.66 2qv6A1 ASN 174 H -0.08 0.45 -0.33 -0.55 8.53 8.01 2qv6A1 ASN 174 HA -0.08 0.08 0.30 -0.75 4.76 4.31 2qv6A1 ASN 174 HB2 0.03 0.26 0.06 -0.04 2.88 3.19 2qv6A1 ASN 174 HB3 0.10 -0.35 0.26 -0.04 2.79 2.76 2qv6A1 ASN 174 HD21 -0.01 0.03 -0.04 -0.04 7.03 6.97 2qv6A1 ASN 174 HD22 0.03 -0.03 -0.04 -0.04 7.74 7.66 2qv6A1 ALA 175 H 0.02 0.41 -0.15 -0.55 8.40 8.14 2qv6A1 ALA 175 HA 0.04 0.08 0.80 -0.75 4.34 4.51 2qv6A1 ALA 175 HB3 0.01 0.04 0.01 -0.04 1.41 1.42 2qv6A1 LEU 176 H 0.01 0.45 0.26 -0.55 8.37 8.55 2qv6A1 LEU 176 HA -0.15 0.14 0.64 -0.75 4.35 4.23 2qv6A1 LEU 176 HB2 0.01 -0.01 0.04 -0.04 1.64 1.63 2qv6A1 LEU 176 HB3 -0.31 -0.02 0.06 -0.04 1.64 1.32 2qv6A1 LEU 176 HG 0.06 -0.04 -0.12 -0.04 1.64 1.50 2qv6A1 LEU 176 HD13 0.15 0.01 -0.12 -0.04 0.93 0.93 2qv6A1 LEU 176 HD23 0.08 0.02 -0.30 -0.04 0.89 0.65 2qv6A1 LEU 177 H -0.69 0.22 0.15 -0.55 8.37 7.50 2qv6A1 LEU 177 HA -0.20 0.24 0.84 -0.75 4.35 4.47 2qv6A1 LEU 177 HB2 -0.14 0.08 -0.35 -0.04 1.64 1.18 2qv6A1 LEU 177 HB3 -0.23 -0.03 -0.00 -0.04 1.64 1.34 2qv6A1 LEU 177 HG -0.15 -0.02 -0.29 -0.04 1.64 1.14 2qv6A1 LEU 177 HD13 -0.11 0.01 -0.33 -0.04 0.93 0.46 2qv6A1 LEU 177 HD23 0.01 0.00 -0.15 -0.04 0.89 0.71 2qv6A1 PHE 178 H -0.04 0.52 0.29 -0.55 8.34 8.57 2qv6A1 PHE 178 HA -0.10 0.12 0.93 -0.75 4.62 4.82 2qv6A1 PHE 178 HB2 -0.61 0.01 0.09 -0.04 3.15 2.59 2qv6A1 PHE 178 HB3 -0.26 0.02 0.04 -0.04 3.06 2.81 2qv6A1 PHE 178 HD2 -0.61 0.03 -0.03 -0.04 7.28 6.64 2qv6A1 PHE 178 HE2 -0.20 -0.01 -0.06 -0.04 7.38 7.06 2qv6A1 PHE 178 HZ -0.09 -0.00 -0.06 -0.04 7.32 7.13 2qv6A1 PHE 179 H 0.24 0.14 0.18 -0.55 8.34 8.34 2qv6A1 PHE 179 HA 0.11 0.19 0.80 -0.75 4.62 4.97 2qv6A1 PHE 179 HB2 0.17 0.03 0.12 -0.04 3.15 3.43 2qv6A1 PHE 179 HB3 0.13 -0.01 0.13 -0.04 3.06 3.26 2qv6A1 PHE 179 HD2 -0.13 0.10 0.01 -0.04 7.28 7.22 2qv6A1 PHE 179 HE2 -0.15 -0.01 -0.20 -0.04 7.38 6.99 2qv6A1 PHE 179 HZ -0.01 0.15 -0.08 -0.04 7.32 7.34 2qv6A1 ILE 180 H -0.41 0.57 0.25 -0.55 8.25 8.11 2qv6A1 ILE 180 HA -0.08 0.16 0.79 -0.75 4.18 4.30 2qv6A1 ILE 180 HB -0.04 0.00 0.12 -0.04 1.89 1.93 2qv6A1 ILE 180 HG12 -0.01 -0.06 -0.30 -0.04 1.49 1.08 2qv6A1 ILE 180 HG13 -0.14 0.10 -0.26 -0.04 1.21 0.86 2qv6A1 ILE 180 HG23 0.17 -0.00 -0.24 -0.04 0.93 0.81 2qv6A1 ILE 180 HD13 -0.13 -0.00 -0.12 -0.04 0.88 0.59 2qv6A1 GLY 181 H -1.93 0.07 0.03 -0.55 8.43 6.04 2qv6A1 GLY 181 HA2 -0.59 0.00 0.34 -0.51 4.01 3.25 2qv6A1 GLY 181 HA3 -0.26 0.23 0.82 -0.51 4.01 4.29 2qv6A1 GLY 182 H 0.03 0.16 0.14 -0.55 8.43 8.22 2qv6A1 GLY 182 HA2 0.07 0.06 0.35 -0.51 4.01 3.97 2qv6A1 GLY 182 HA3 -0.01 0.06 0.48 -0.51 4.01 4.04 2qv6A1 ASP 183 H -0.00 0.17 0.19 -0.55 8.40 8.21 2qv6A1 ASP 183 HA 0.03 0.19 0.66 -0.75 4.63 4.76 2qv6A1 ASP 183 HB2 0.05 -0.02 0.25 -0.04 2.71 2.95 2qv6A1 ASP 183 HB3 0.04 0.02 0.06 -0.04 2.70 2.78 2qv6A1 ASN 184 H -0.16 0.33 -0.13 -0.55 8.53 8.02 2qv6A1 ASN 184 HA -0.07 0.33 0.96 -0.75 4.76 5.22 2qv6A1 ASN 184 HB2 -0.13 0.34 0.12 -0.04 2.88 3.18 2qv6A1 ASN 184 HB3 0.07 -0.00 -0.04 -0.04 2.79 2.78 2qv6A1 ASN 184 HD21 0.01 -0.03 -0.06 -0.04 7.03 6.91 2qv6A1 ASN 184 HD22 0.77 0.04 -0.05 -0.04 7.74 8.46 2qv6A1 PHE 185 H 0.19 0.70 0.41 -0.55 8.34 9.09 2qv6A1 PHE 185 HA 0.16 0.17 0.99 -0.75 4.62 5.19 2qv6A1 PHE 185 HB2 0.11 -0.05 -0.03 -0.04 3.15 3.15 2qv6A1 PHE 185 HB3 0.09 0.00 -0.06 -0.04 3.06 3.05 2qv6A1 PHE 185 HD2 0.14 0.00 -0.26 -0.04 7.28 7.12 2qv6A1 PHE 185 HE2 -0.04 -0.00 -0.18 -0.04 7.38 7.11 2qv6A1 PHE 185 HZ -0.07 0.06 -0.11 -0.04 7.32 7.15 2qv6A1 MET 186 H 0.17 0.58 0.35 -0.55 8.47 9.02 2qv6A1 MET 186 HA 0.12 0.30 1.02 -0.75 4.52 5.21 2qv6A1 MET 186 HB2 0.16 -0.01 0.05 -0.04 2.15 2.31 2qv6A1 MET 186 HB3 0.12 -0.04 -0.08 -0.04 2.03 1.98 2qv6A1 MET 186 HG2 -0.07 0.04 0.03 -0.04 2.63 2.59 2qv6A1 MET 186 HG3 -0.17 -0.00 -0.18 -0.04 2.56 2.17 2qv6A1 MET 186 HE3 0.30 -0.01 -0.13 -0.04 2.10 2.22 2qv6A1 ALA 187 H 0.10 0.54 0.23 -0.55 8.40 8.72 2qv6A1 ALA 187 HA 0.01 0.33 0.98 -0.75 4.34 4.91 2qv6A1 ALA 187 HB3 0.14 -0.01 0.03 -0.04 1.41 1.53 2qv6A1 PRO 188 HA 0.09 0.21 0.84 -0.51 4.44 5.07 2qv6A1 PRO 188 HB2 0.09 -0.04 0.14 -0.04 2.28 2.43 2qv6A1 PRO 188 HB3 0.10 0.01 0.15 -0.04 2.02 2.24 2qv6A1 PRO 188 HG2 0.18 0.02 0.01 -0.04 2.03 2.19 2qv6A1 PRO 188 HG3 0.15 0.03 -0.00 -0.04 2.03 2.17 2qv6A1 PRO 188 HD2 0.02 0.10 0.03 -0.04 3.68 3.79 2qv6A1 PRO 188 HD3 -0.01 0.15 -0.20 -0.04 3.65 3.55 2qv6A1 SER 189 H 0.08 0.35 0.33 -0.55 8.46 8.68 2qv6A1 SER 189 HA 0.06 0.17 0.74 -0.75 4.49 4.70 2qv6A1 SER 189 HB2 0.12 -0.04 0.06 -0.04 3.95 4.05 2qv6A1 SER 189 HB3 0.18 0.10 -0.40 -0.04 3.93 3.76 2qv6A1 ASN 190 H 0.03 0.03 0.22 -0.55 8.53 8.27 2qv6A1 ASN 190 HA 0.11 -0.04 0.49 -0.75 4.76 4.56 2qv6A1 ASN 190 HB2 -0.04 0.06 0.31 -0.04 2.88 3.16 2qv6A1 ASN 190 HB3 -0.09 0.10 0.13 -0.04 2.79 2.90 2qv6A1 ASN 190 HD21 -0.57 0.34 0.12 -0.04 7.03 6.87 2qv6A1 ASN 190 HD22 -0.74 0.07 0.08 -0.04 7.74 7.10 2qv6A1 GLY 191 H 0.15 0.08 0.23 -0.55 8.43 8.35 2qv6A1 GLY 191 HA2 0.09 -0.04 0.37 -0.51 4.01 3.92 2qv6A1 GLY 191 HA3 0.07 0.19 0.73 -0.51 4.01 4.48 2qv6A1 MET 192 H 0.05 0.55 -0.03 -0.55 8.47 8.50 2qv6A1 MET 192 HA -0.10 0.07 0.64 -0.75 4.52 4.38 2qv6A1 MET 192 HB2 -0.01 0.05 0.05 -0.04 2.15 2.20 2qv6A1 MET 192 HB3 -0.47 -0.07 0.05 -0.04 2.03 1.50 2qv6A1 MET 192 HG2 -0.38 0.00 -0.01 -0.04 2.63 2.20 2qv6A1 MET 192 HG3 -0.11 0.13 -0.06 -0.04 2.56 2.48 2qv6A1 MET 192 HE3 -1.59 -0.01 -0.11 -0.04 2.10 0.34 2qv6A1 SER 193 H -0.11 0.09 0.22 -0.55 8.46 8.12 2qv6A1 SER 193 HA 0.05 0.25 0.80 -0.75 4.49 4.83 2qv6A1 SER 193 HB2 0.02 -0.00 0.13 -0.04 3.95 4.05 2qv6A1 SER 193 HB3 0.01 0.18 0.02 -0.04 3.93 4.10 2qv6A1 GLU 194 H 0.05 0.24 0.11 -0.55 8.60 8.45 2qv6A1 GLU 194 HA 0.15 0.11 0.29 -0.75 4.29 4.08 2qv6A1 GLU 194 HB2 0.03 0.02 -0.02 -0.04 2.09 2.08 2qv6A1 GLU 194 HB3 0.03 0.03 -0.04 -0.04 1.99 1.98 2qv6A1 GLU 194 HG2 0.03 0.02 -0.05 -0.04 2.34 2.30 2qv6A1 GLU 194 HG3 0.03 0.01 0.06 -0.04 2.34 2.40 2qv6A1 GLU 195 H 0.01 0.09 -0.24 -0.55 8.60 7.91 2qv6A1 GLU 195 HA -0.01 0.11 0.47 -0.75 4.29 4.10 2qv6A1 GLU 195 HB2 -0.01 -0.01 0.05 -0.04 2.09 2.07 2qv6A1 GLU 195 HB3 -0.01 0.08 0.01 -0.04 1.99 2.03 2qv6A1 GLU 195 HG2 0.00 0.08 0.00 -0.04 2.34 2.39 2qv6A1 GLU 195 HG3 0.00 0.03 -0.01 -0.04 2.34 2.32 2qv6A1 ASP 196 H -0.10 0.09 -0.25 -0.55 8.40 7.60 2qv6A1 ASP 196 HA -0.17 0.09 0.45 -0.75 4.63 4.25 2qv6A1 ASP 196 HB2 -0.51 0.17 0.16 -0.04 2.71 2.49 2qv6A1 ASP 196 HB3 -0.95 0.07 0.02 -0.04 2.70 1.81 2qv6A1 PHE 197 H -0.11 0.26 -0.22 -0.55 8.34 7.72 2qv6A1 PHE 197 HA -0.53 0.08 0.45 -0.75 4.62 3.87 2qv6A1 PHE 197 HB2 -0.32 0.06 0.03 -0.04 3.15 2.88 2qv6A1 PHE 197 HB3 -0.95 0.02 -0.11 -0.04 3.06 1.98 2qv6A1 PHE 197 HD2 -0.22 0.02 -0.13 -0.04 7.28 6.90 2qv6A1 PHE 197 HE2 -0.06 0.02 -0.17 -0.04 7.38 7.13 2qv6A1 PHE 197 HZ -0.05 0.04 -0.10 -0.04 7.32 7.17 2qv6A1 LEU 198 H -0.10 0.41 -0.17 -0.55 8.37 7.97 2qv6A1 LEU 198 HA -0.02 0.03 0.40 -0.75 4.35 4.01 2qv6A1 LEU 198 HB2 -0.02 0.06 0.17 -0.04 1.64 1.81 2qv6A1 LEU 198 HB3 0.02 0.01 -0.02 -0.04 1.64 1.60 2qv6A1 LEU 198 HG 0.03 0.06 0.02 -0.04 1.64 1.70 2qv6A1 LEU 198 HD13 0.03 -0.02 -0.05 -0.04 0.93 0.85 2qv6A1 LEU 198 HD23 0.11 -0.02 0.00 -0.04 0.89 0.94 2qv6A1 ASP 199 H -0.08 0.50 -0.17 -0.55 8.40 8.10 2qv6A1 ASP 199 HA -0.01 0.03 0.60 -0.75 4.63 4.51 2qv6A1 ASP 199 HB2 -0.07 0.15 0.17 -0.04 2.71 2.92 2qv6A1 ASP 199 HB3 -0.01 0.00 -0.09 -0.04 2.70 2.56 2qv6A1 ILE 200 H -0.16 0.45 -0.09 -0.55 8.25 7.89 2qv6A1 ILE 200 HA 0.01 0.02 0.41 -0.75 4.18 3.87 2qv6A1 ILE 200 HB -0.23 0.07 0.15 -0.04 1.89 1.83 2qv6A1 ILE 200 HG12 0.00 -0.02 -0.01 -0.04 1.49 1.42 2qv6A1 ILE 200 HG13 -0.16 0.17 0.08 -0.04 1.21 1.26 2qv6A1 ILE 200 HG23 0.09 -0.01 -0.14 -0.04 0.93 0.82 2qv6A1 ILE 200 HD13 -0.27 -0.01 -0.15 -0.04 0.88 0.41 2qv6A1 PHE 201 H -0.07 0.65 -0.18 -0.55 8.34 8.19 2qv6A1 PHE 201 HA 0.04 -0.01 0.30 -0.75 4.62 4.19 2qv6A1 PHE 201 HB2 0.05 0.07 0.09 -0.04 3.15 3.32 2qv6A1 PHE 201 HB3 0.04 -0.05 0.04 -0.04 3.06 3.05 2qv6A1 PHE 201 HD2 0.06 -0.04 -0.16 -0.04 7.28 7.10 2qv6A1 PHE 201 HE2 0.07 -0.00 -0.20 -0.04 7.38 7.21 2qv6A1 PHE 201 HZ 0.03 -0.02 -0.23 -0.04 7.32 7.06 2qv6A1 ASN 202 H 0.12 0.47 -0.19 -0.55 8.53 8.39 2qv6A1 ASN 202 HA 0.08 0.02 0.62 -0.75 4.76 4.72 2qv6A1 ASN 202 HB2 0.06 0.04 0.17 -0.04 2.88 3.10 2qv6A1 ASN 202 HB3 0.04 0.16 0.23 -0.04 2.79 3.18 2qv6A1 ASN 202 HD21 0.01 -0.02 -0.02 -0.04 7.03 6.96 2qv6A1 ASN 202 HD22 0.02 0.01 0.03 -0.04 7.74 7.75 2qv6A1 ARG 203 H 0.05 0.49 -0.09 -0.55 8.46 8.36 2qv6A1 ARG 203 HA 0.01 0.01 0.43 -0.75 4.34 4.04 2qv6A1 ARG 203 HB2 0.04 0.18 0.16 -0.04 1.90 2.23 2qv6A1 ARG 203 HB3 0.01 -0.04 0.01 -0.04 1.80 1.74 2qv6A1 ARG 203 HG2 0.00 -0.04 0.04 -0.04 1.67 1.63 2qv6A1 ARG 203 HG3 0.01 0.10 0.06 -0.04 1.67 1.80 2qv6A1 ARG 203 HD2 -0.00 -0.02 0.00 -0.04 3.22 3.16 2qv6A1 ARG 203 HD3 -0.01 -0.02 -0.01 -0.04 3.22 3.14 2qv6A1 ILE 204 H 0.12 0.35 -0.23 -0.55 8.25 7.93 2qv6A1 ILE 204 HA 0.15 0.03 0.48 -0.75 4.18 4.09 2qv6A1 ILE 204 HB 0.14 0.06 0.11 -0.04 1.89 2.16 2qv6A1 ILE 204 HG12 0.14 0.26 -0.03 -0.04 1.49 1.82 2qv6A1 ILE 204 HG13 0.15 -0.05 -0.12 -0.04 1.21 1.15 2qv6A1 ILE 204 HG23 0.14 -0.01 -0.11 -0.04 0.93 0.91 2qv6A1 ILE 204 HD13 0.12 -0.01 -0.13 -0.04 0.88 0.82 2qv6A1 ASN 205 H 0.08 0.61 -0.03 -0.55 8.53 8.65 2qv6A1 ASN 205 HA 0.06 -0.08 0.56 -0.75 4.76 4.55 2qv6A1 ASN 205 HB2 0.05 0.03 0.16 -0.04 2.88 3.07 2qv6A1 ASN 205 HB3 0.05 0.13 0.26 -0.04 2.79 3.20 2qv6A1 ASN 205 HD21 0.02 -0.04 -0.08 -0.04 7.03 6.89 2qv6A1 ASN 205 HD22 0.03 0.02 -0.00 -0.04 7.74 7.75 2qv6A1 LYS 206 H 0.01 0.57 -0.10 -0.55 8.42 8.35 2qv6A1 LYS 206 HA -0.02 0.03 0.44 -0.75 4.32 4.03 2qv6A1 LYS 206 HB2 -0.01 -0.02 0.08 -0.04 1.87 1.88 2qv6A1 LYS 206 HB3 -0.03 0.05 0.12 -0.04 1.79 1.90 2qv6A1 LYS 206 HG2 -0.03 -0.05 -0.03 -0.04 1.46 1.31 2qv6A1 LYS 206 HG3 -0.05 0.03 -0.26 -0.04 1.46 1.14 2qv6A1 LYS 206 HD2 -0.03 -0.02 -0.01 -0.04 1.69 1.59 2qv6A1 LYS 206 HD3 -0.02 0.03 0.09 -0.04 1.68 1.74 2qv6A1 LYS 206 HE2 -0.01 0.01 0.01 -0.04 2.99 2.95 2qv6A1 LYS 206 HE3 -0.01 -0.03 -0.01 -0.04 2.99 2.90 2qv6A1 LYS 207 H -0.11 0.39 -0.17 -0.55 8.42 7.97 2qv6A1 LYS 207 HA -0.24 0.05 0.53 -0.75 4.32 3.91 2qv6A1 LYS 207 HB2 -0.38 0.12 0.22 -0.04 1.87 1.79 2qv6A1 LYS 207 HB3 -1.27 -0.04 -0.03 -0.04 1.79 0.40 2qv6A1 LYS 207 HG2 -0.32 -0.05 0.02 -0.04 1.46 1.07 2qv6A1 LYS 207 HG3 -0.21 -0.02 0.03 -0.04 1.46 1.22 2qv6A1 LYS 207 HD2 -0.09 -0.07 0.02 -0.04 1.69 1.51 2qv6A1 LYS 207 HD3 -0.10 0.37 0.12 -0.04 1.68 2.02 2qv6A1 LYS 207 HE2 -0.02 -0.04 -0.04 -0.04 2.99 2.85 2qv6A1 LYS 207 HE3 -0.04 -0.01 -0.02 -0.04 2.99 2.88 2qv6A1 TYR 208 H -0.05 0.60 0.02 -0.55 8.29 8.30 2qv6A1 TYR 208 HA -0.01 0.20 0.78 -0.75 4.56 4.78 2qv6A1 TYR 208 HB2 -0.01 0.04 0.05 -0.04 3.06 3.09 2qv6A1 TYR 208 HB3 -0.01 -0.05 0.07 -0.04 2.98 2.95 2qv6A1 TYR 208 HD2 -0.02 0.05 0.01 -0.04 7.15 7.15 2qv6A1 TYR 208 HE2 -0.03 -0.03 -0.04 -0.04 6.85 6.72 2qv6A1 LYS 209 H 0.03 0.47 -0.06 -0.55 8.42 8.31 2qv6A1 LYS 209 HA 0.03 0.13 0.35 -0.75 4.32 4.08 2qv6A1 LYS 209 HB2 0.04 0.11 0.06 -0.04 1.87 2.03 2qv6A1 LYS 209 HB3 0.02 -0.09 0.18 -0.04 1.79 1.86 2qv6A1 LYS 209 HG2 0.01 0.04 -0.32 -0.04 1.46 1.15 2qv6A1 LYS 209 HG3 0.01 -0.07 -0.06 -0.04 1.46 1.30 2qv6A1 LYS 209 HD2 0.01 -0.11 0.01 -0.04 1.69 1.56 2qv6A1 LYS 209 HD3 0.00 0.31 0.07 -0.04 1.68 2.02 2qv6A1 LYS 209 HE2 -0.01 -0.10 -0.00 -0.04 2.99 2.84 2qv6A1 LYS 209 HE3 -0.01 -0.08 0.03 -0.04 2.99 2.89 2qv6A1 ILE 210 H 0.08 0.14 -0.20 -0.55 8.25 7.73 2qv6A1 ILE 210 HA 0.02 0.13 0.79 -0.75 4.18 4.37 2qv6A1 ILE 210 HB 0.07 -0.02 -0.08 -0.04 1.89 1.82 2qv6A1 ILE 210 HG12 0.02 -0.05 -0.05 -0.04 1.49 1.37 2qv6A1 ILE 210 HG13 0.04 0.19 -0.30 -0.04 1.21 1.11 2qv6A1 ILE 210 HG23 -0.00 -0.03 -0.28 -0.04 0.93 0.57 2qv6A1 ILE 210 HD13 -0.01 -0.02 -0.08 -0.04 0.88 0.73 2qv6A1 GLU 211 H -0.00 0.19 0.13 -0.55 8.60 8.37 2qv6A1 GLU 211 HA -0.03 0.16 0.84 -0.75 4.29 4.50 2qv6A1 GLU 211 HB2 -0.00 0.05 0.02 -0.04 2.09 2.11 2qv6A1 GLU 211 HB3 -0.02 -0.04 0.14 -0.04 1.99 2.03 2qv6A1 GLU 211 HG2 -0.03 0.04 -0.16 -0.04 2.34 2.15 2qv6A1 GLU 211 HG3 -0.01 0.01 0.04 -0.04 2.34 2.34 2qv6A1 LEU 212 H -0.19 0.19 0.22 -0.55 8.37 8.05 2qv6A1 LEU 212 HA -0.21 0.27 1.00 -0.75 4.35 4.65 2qv6A1 LEU 212 HB2 -1.25 -0.05 0.04 -0.04 1.64 0.34 2qv6A1 LEU 212 HB3 -0.82 0.04 0.02 -0.04 1.64 0.84 2qv6A1 LEU 212 HG -0.18 0.03 -0.21 -0.04 1.64 1.23 2qv6A1 LEU 212 HD13 -0.14 -0.01 -0.12 -0.04 0.93 0.62 2qv6A1 LEU 212 HD23 -0.06 0.00 -0.26 -0.04 0.89 0.54 2qv6A1 LYS 213 H -0.19 0.53 0.40 -0.55 8.42 8.61 2qv6A1 LYS 213 HA -0.03 0.28 0.77 -0.75 4.32 4.58 2qv6A1 LYS 213 HB2 -0.02 0.04 0.13 -0.04 1.87 1.98 2qv6A1 LYS 213 HB3 -0.04 -0.00 0.01 -0.04 1.79 1.72 2qv6A1 LYS 213 HG2 -0.07 -0.02 -0.13 -0.04 1.46 1.21 2qv6A1 LYS 213 HG3 -0.06 -0.04 -0.09 -0.04 1.46 1.23 2qv6A1 LYS 213 HD2 -0.04 0.03 -0.08 -0.04 1.69 1.56 2qv6A1 LYS 213 HD3 -0.03 0.01 -0.11 -0.04 1.68 1.51 2qv6A1 LYS 213 HE2 -0.07 -0.03 -0.10 -0.04 2.99 2.76 2qv6A1 LYS 213 HE3 -0.04 0.03 -0.05 -0.04 2.99 2.88 2qv6A1 ALA 214 H 0.06 0.61 0.33 -0.55 8.40 8.86 2qv6A1 ALA 214 HA 0.00 0.38 0.80 -0.75 4.34 4.76 2qv6A1 ALA 214 HB3 0.04 -0.03 -0.16 -0.04 1.41 1.22 2qv6A1 GLY 215 H -0.02 0.42 0.29 -0.55 8.43 8.57 2qv6A1 GLY 215 HA2 -0.02 0.19 0.89 -0.51 4.01 4.56 2qv6A1 GLY 215 HA3 -0.01 0.16 0.46 -0.51 4.01 4.11 2qv6A1 ILE 216 H -0.02 0.82 0.43 -0.55 8.25 8.92 2qv6A1 ILE 216 HA -0.03 0.27 1.10 -0.75 4.18 4.77 2qv6A1 ILE 216 HB -0.03 -0.08 0.10 -0.04 1.89 1.84 2qv6A1 ILE 216 HG12 -0.35 0.03 -0.18 -0.04 1.49 0.95 2qv6A1 ILE 216 HG13 -0.21 -0.04 -0.48 -0.04 1.21 0.44 2qv6A1 ILE 216 HG23 0.02 -0.00 -0.22 -0.04 0.93 0.69 2qv6A1 ILE 216 HD13 -0.17 -0.02 -0.21 -0.04 0.88 0.44 2qv6A1 GLY 217 H 0.04 0.61 0.35 -0.55 8.43 8.88 2qv6A1 GLY 217 HA2 0.03 0.32 1.05 -0.51 4.01 4.91 2qv6A1 GLY 217 HA3 0.04 0.10 0.42 -0.51 4.01 4.07 2qv6A1 ILE 218 H 0.05 0.61 0.40 -0.55 8.25 8.76 2qv6A1 ILE 218 HA 0.15 0.25 1.06 -0.75 4.18 4.88 2qv6A1 ILE 218 HB 0.04 -0.06 0.21 -0.04 1.89 2.04 2qv6A1 ILE 218 HG12 0.13 -0.00 -0.05 -0.04 1.49 1.52 2qv6A1 ILE 218 HG13 0.06 -0.02 -0.33 -0.04 1.21 0.88 2qv6A1 ILE 218 HG23 0.06 0.00 -0.08 -0.04 0.93 0.87 2qv6A1 ILE 218 HD13 0.02 -0.00 -0.08 -0.04 0.88 0.77 2qv6A1 GLY 219 H 0.16 0.62 0.34 -0.55 8.43 9.00 2qv6A1 GLY 219 HA2 0.13 0.13 0.65 -0.51 4.01 4.41 2qv6A1 GLY 219 HA3 0.09 -0.07 0.32 -0.51 4.01 3.85 2qv6A1 ARG 220 H 0.17 0.13 0.19 -0.55 8.46 8.39 2qv6A1 ARG 220 HA 0.17 0.23 0.57 -0.75 4.34 4.56 2qv6A1 ARG 220 HB2 0.28 0.04 0.13 -0.04 1.90 2.31 2qv6A1 ARG 220 HB3 0.18 -0.06 0.14 -0.04 1.80 2.02 2qv6A1 ARG 220 HG2 0.11 0.01 -0.24 -0.04 1.67 1.51 2qv6A1 ARG 220 HG3 0.11 0.05 0.09 -0.04 1.67 1.88 2qv6A1 ARG 220 HD2 0.14 0.00 0.04 -0.04 3.22 3.36 2qv6A1 ARG 220 HD3 0.16 -0.02 0.00 -0.04 3.22 3.32 2qv6A1 THR 221 H 0.08 -0.03 -0.03 -0.55 8.28 7.76 2qv6A1 THR 221 HA 0.06 0.29 0.87 -0.75 4.39 4.85 2qv6A1 THR 221 HB 0.04 0.26 0.21 -0.04 4.32 4.79 2qv6A1 THR 221 HG23 0.06 0.06 -0.12 -0.04 1.22 1.18 2qv6A1 ALA 222 H 0.03 0.29 0.15 -0.55 8.40 8.33 2qv6A1 ALA 222 HA 0.04 -0.01 0.48 -0.75 4.34 4.10 2qv6A1 ALA 222 HB3 -0.01 0.04 0.08 -0.04 1.41 1.49 2qv6A1 GLU 223 H 0.01 0.51 -0.10 -0.55 8.60 8.47 2qv6A1 GLU 223 HA -0.01 0.08 0.26 -0.75 4.29 3.86 2qv6A1 GLU 223 HB2 -0.00 0.12 0.07 -0.04 2.09 2.23 2qv6A1 GLU 223 HB3 0.01 -0.06 0.07 -0.04 1.99 1.96 2qv6A1 GLU 223 HG2 -0.01 -0.04 -0.18 -0.04 2.34 2.07 2qv6A1 GLU 223 HG3 -0.02 -0.02 0.01 -0.04 2.34 2.28 2qv6A1 ASP 224 H 0.02 0.10 -0.22 -0.55 8.40 7.75 2qv6A1 ASP 224 HA 0.00 0.10 0.39 -0.75 4.63 4.37 2qv6A1 ASP 224 HB2 0.04 -0.09 0.13 -0.04 2.71 2.76 2qv6A1 ASP 224 HB3 0.01 0.01 0.05 -0.04 2.70 2.73 2qv6A1 ALA 225 H 0.05 0.55 -0.17 -0.55 8.40 8.28 2qv6A1 ALA 225 HA 0.06 -0.04 0.11 -0.75 4.34 3.72 2qv6A1 ALA 225 HB3 0.07 0.04 -0.03 -0.04 1.41 1.45 2qv6A1 SER 226 H 0.03 0.58 -0.20 -0.55 8.46 8.32 2qv6A1 SER 226 HA 0.05 0.03 0.35 -0.75 4.49 4.15 2qv6A1 SER 226 HB2 -0.01 -0.02 -0.02 -0.04 3.95 3.86 2qv6A1 SER 226 HB3 0.02 -0.01 -0.00 -0.04 3.93 3.89 2qv6A1 ASN 227 H 0.02 0.48 -0.18 -0.55 8.53 8.30 2qv6A1 ASN 227 HA 0.02 0.06 0.61 -0.75 4.76 4.70 2qv6A1 ASN 227 HB2 0.00 0.10 0.18 -0.04 2.88 3.12 2qv6A1 ASN 227 HB3 0.00 -0.04 -0.03 -0.04 2.79 2.68 2qv6A1 ASN 227 HD21 -0.01 -0.00 -0.03 -0.04 7.03 6.94 2qv6A1 ASN 227 HD22 -0.01 -0.05 -0.04 -0.04 7.74 7.61 2qv6A1 LEU 228 H 0.02 0.55 -0.11 -0.55 8.37 8.28 2qv6A1 LEU 228 HA 0.01 0.03 0.51 -0.75 4.35 4.15 2qv6A1 LEU 228 HB2 0.03 0.08 0.14 -0.04 1.64 1.85 2qv6A1 LEU 228 HB3 0.02 -0.01 0.02 -0.04 1.64 1.62 2qv6A1 LEU 228 HG 0.00 0.09 0.03 -0.04 1.64 1.72 2qv6A1 LEU 228 HD13 0.01 -0.05 -0.24 -0.04 0.93 0.62 2qv6A1 LEU 228 HD23 -0.01 -0.02 -0.07 -0.04 0.89 0.75 2qv6A1 ALA 229 H 0.05 0.44 -0.20 -0.55 8.40 8.15 2qv6A1 ALA 229 HA 0.04 -0.05 0.16 -0.75 4.34 3.73 2qv6A1 ALA 229 HB3 0.10 0.04 0.07 -0.04 1.41 1.58 2qv6A1 ASP 230 H 0.08 0.39 -0.39 -0.55 8.40 7.93 2qv6A1 ASP 230 HA 0.08 0.03 0.50 -0.75 4.63 4.48 2qv6A1 ASP 230 HB2 0.05 0.18 0.19 -0.04 2.71 3.09 2qv6A1 ASP 230 HB3 0.04 -0.05 -0.03 -0.04 2.70 2.62 2qv6A1 ILE 231 H 0.02 0.44 -0.12 -0.55 8.25 8.03 2qv6A1 ILE 231 HA 0.00 0.04 0.52 -0.75 4.18 3.99 2qv6A1 ILE 231 HB 0.01 0.11 0.13 -0.04 1.89 2.10 2qv6A1 ILE 231 HG12 0.00 -0.02 0.03 -0.04 1.49 1.46 2qv6A1 ILE 231 HG13 0.01 0.14 0.08 -0.04 1.21 1.40 2qv6A1 ILE 231 HG23 -0.00 -0.01 -0.12 -0.04 0.93 0.76 2qv6A1 ILE 231 HD13 -0.00 -0.02 -0.02 -0.04 0.88 0.80 2qv6A1 GLY 232 H 0.01 0.47 -0.25 -0.55 8.43 8.11 2qv6A1 GLY 232 HA2 -0.00 0.01 0.32 -0.51 4.01 3.83 2qv6A1 GLY 232 HA3 -0.00 0.05 0.28 -0.51 4.01 3.82 2qv6A1 LEU 233 H -0.03 0.39 -0.26 -0.55 8.37 7.92 2qv6A1 LEU 233 HA -0.05 0.02 0.34 -0.75 4.35 3.91 2qv6A1 LEU 233 HB2 -0.11 0.13 0.20 -0.04 1.64 1.82 2qv6A1 LEU 233 HB3 -0.11 0.04 -0.02 -0.04 1.64 1.52 2qv6A1 LEU 233 HG -0.15 -0.04 -0.04 -0.04 1.64 1.36 2qv6A1 LEU 233 HD13 -0.10 -0.04 -0.10 -0.04 0.93 0.66 2qv6A1 LEU 233 HD23 -0.56 0.00 -0.06 -0.04 0.89 0.23 2qv6A1 GLU 234 H -0.02 0.39 -0.31 -0.55 8.60 8.11 2qv6A1 GLU 234 HA -0.02 0.03 0.49 -0.75 4.29 4.03 2qv6A1 GLU 234 HB2 -0.01 0.12 0.17 -0.04 2.09 2.33 2qv6A1 GLU 234 HB3 -0.01 -0.03 -0.04 -0.04 1.99 1.86 2qv6A1 GLU 234 HG2 -0.01 0.09 0.01 -0.04 2.34 2.38 2qv6A1 GLU 234 HG3 -0.01 -0.02 -0.01 -0.04 2.34 2.26 2qv6A1 LYS 235 H -0.01 0.58 -0.05 -0.55 8.42 8.39 2qv6A1 LYS 235 HA -0.01 0.02 0.41 -0.75 4.32 4.00 2qv6A1 LYS 235 HB2 -0.01 0.13 0.09 -0.04 1.87 2.04 2qv6A1 LYS 235 HB3 -0.00 -0.03 -0.18 -0.04 1.79 1.54 2qv6A1 LYS 235 HG2 -0.00 -0.02 -0.02 -0.04 1.46 1.38 2qv6A1 LYS 235 HG3 -0.00 0.12 -0.05 -0.04 1.46 1.49 2qv6A1 LYS 235 HD2 -0.00 -0.04 -0.11 -0.04 1.69 1.49 2qv6A1 LYS 235 HD3 -0.00 0.02 -0.08 -0.04 1.68 1.57 2qv6A1 LYS 235 HE2 -0.00 0.01 -0.04 -0.04 2.99 2.93 2qv6A1 LYS 235 HE3 -0.00 -0.03 -0.06 -0.04 2.99 2.86 2qv6A1 ILE 236 H -0.01 0.48 -0.32 -0.55 8.25 7.84 2qv6A1 ILE 236 HA -0.00 0.06 0.40 -0.75 4.18 3.88 2qv6A1 ILE 236 HB -0.02 0.07 0.06 -0.04 1.89 1.96 2qv6A1 ILE 236 HG12 0.00 0.12 -0.13 -0.04 1.49 1.44 2qv6A1 ILE 236 HG13 -0.01 0.06 -0.09 -0.04 1.21 1.14 2qv6A1 ILE 236 HG23 -0.00 0.01 -0.11 -0.04 0.93 0.78 2qv6A1 ILE 236 HD13 -0.00 -0.06 -0.33 -0.04 0.88 0.45 2qv6A1 ARG 237 H -0.02 0.44 -0.16 -0.55 8.46 8.17 2qv6A1 ARG 237 HA -0.01 -0.00 0.37 -0.75 4.34 3.94 2qv6A1 ARG 237 HB2 -0.02 0.11 0.20 -0.04 1.90 2.15 2qv6A1 ARG 237 HB3 -0.01 -0.06 0.02 -0.04 1.80 1.70 2qv6A1 ARG 237 HG2 -0.02 -0.07 0.05 -0.04 1.67 1.58 2qv6A1 ARG 237 HG3 -0.03 0.27 0.09 -0.04 1.67 1.96 2qv6A1 ARG 237 HD2 -0.02 -0.00 -0.02 -0.04 3.22 3.13 2qv6A1 ARG 237 HD3 -0.02 -0.03 0.01 -0.04 3.22 3.14 2qv6A1 GLY 238 H -0.01 0.48 -0.32 -0.55 8.43 8.03 2qv6A1 GLY 238 HA2 -0.00 0.06 0.49 -0.51 4.01 4.05 2qv6A1 GLY 238 HA3 -0.00 -0.03 0.32 -0.51 4.01 3.78 2qv6A1 LYS 239 H -0.00 0.36 -0.83 -0.55 8.42 7.39 2qv6A1 LYS 239 HA 0.00 0.16 0.32 -0.75 4.32 4.05 2qv6A1 LYS 239 HB2 -0.00 -0.02 -0.10 -0.04 1.87 1.71 2qv6A1 LYS 239 HB3 0.00 -0.05 0.18 -0.04 1.79 1.88 2qv6A1 LYS 239 HG2 0.00 0.10 0.08 -0.04 1.46 1.59 2qv6A1 LYS 239 HG3 -0.00 0.09 0.00 -0.04 1.46 1.50 2qv6A1 LYS 239 HD2 0.00 -0.03 0.03 -0.04 1.69 1.65 2qv6A1 LYS 239 HD3 0.00 -0.03 0.02 -0.04 1.68 1.63 2qv6A1 LYS 239 HE2 -0.00 0.02 -0.03 -0.04 2.99 2.94 2qv6A1 LYS 239 HE3 0.00 -0.05 0.00 -0.04 2.99 2.90 2qv6A1 LEU 240 H -0.00 0.30 -0.43 -0.55 8.37 7.69 2qv6A1 LEU 240 HA 0.00 0.16 0.88 -0.75 4.35 4.64 2qv6A1 LEU 240 HB2 0.00 -0.09 0.18 -0.04 1.64 1.69 2qv6A1 LEU 240 HB3 -0.00 0.05 0.07 -0.04 1.64 1.72 2qv6A1 LEU 240 HG -0.00 0.12 0.01 -0.04 1.64 1.72 2qv6A1 LEU 240 HD13 -0.00 -0.04 -0.02 -0.04 0.93 0.83 2qv6A1 LEU 240 HD23 -0.00 0.05 0.01 -0.04 0.89 0.90 2qv6A1 VAL 241 H 0.00 0.29 -0.14 -0.55 8.24 7.84 2qv6A1 VAL 241 HA 0.01 0.08 0.30 -0.75 4.13 3.75 2qv6A1 VAL 241 HB 0.00 0.02 -0.05 -0.04 2.12 2.05 2qv6A1 VAL 241 HG13 0.01 0.04 -0.21 -0.04 0.97 0.76 2qv6A1 VAL 241 HG23 0.01 -0.05 0.10 -0.04 0.95 0.97 2qv6A1 ASP 242 H 0.01 0.09 0.09 -0.55 8.40 8.04 2qv6A1 ASP 242 HA 0.01 0.15 0.37 -0.75 4.63 4.40 2qv6A1 ASP 242 HB2 0.01 -0.06 0.12 -0.04 2.71 2.74 2qv6A1 ASP 242 HB3 0.01 0.00 -0.01 -0.04 2.70 2.66 2qv6A1 LYS 243 H 0.02 0.03 -0.11 -0.55 8.42 7.80 2qv6A1 LYS 243 HA 0.03 0.23 0.66 -0.75 4.32 4.47 2qv6A1 LYS 243 HB2 0.04 -0.13 0.12 -0.04 1.87 1.86 2qv6A1 LYS 243 HB3 0.03 0.05 0.02 -0.04 1.79 1.85 2qv6A1 LYS 243 HG2 0.02 -0.06 0.05 -0.04 1.46 1.43 2qv6A1 LYS 243 HG3 0.02 0.11 0.10 -0.04 1.46 1.65 2qv6A1 LYS 243 HD2 0.03 -0.02 0.01 -0.04 1.69 1.66 2qv6A1 LYS 243 HD3 0.02 -0.01 0.00 -0.04 1.68 1.66 2qv6A1 LYS 243 HE2 0.02 -0.06 0.00 -0.04 2.99 2.90 2qv6A1 LYS 243 HE3 0.01 -0.00 0.03 -0.04 2.99 2.99 2qv6A1 ASN 244 H 0.06 0.12 0.15 -0.55 8.53 8.31 2qv6A1 ASN 244 HA 0.03 0.22 0.71 -0.75 4.76 4.97 2qv6A1 ASN 244 HB2 0.11 -0.05 0.17 -0.04 2.88 3.07 2qv6A1 ASN 244 HB3 0.07 0.10 0.36 -0.04 2.79 3.27 2qv6A1 ASN 244 HD21 0.01 -0.02 -0.03 -0.04 7.03 6.95 2qv6A1 ASN 244 HD22 0.03 0.04 0.06 -0.04 7.74 7.82 2qv6A1 VAL 245 H 0.05 0.09 -0.27 -0.55 8.24 7.56 2qv6A1 VAL 245 HA 0.04 0.40 0.83 -0.75 4.13 4.65 2qv6A1 VAL 245 HB -0.01 -0.04 -0.03 -0.04 2.12 2.01 2qv6A1 VAL 245 HG13 0.11 -0.00 -0.16 -0.04 0.97 0.88 2qv6A1 VAL 245 HG23 0.04 -0.03 -0.09 -0.04 0.95 0.83 2qv6A1 CYS 246 H -0.02 0.41 0.21 -0.55 8.50 8.55 2qv6A1 CYS 246 HA 0.00 0.07 0.77 -0.75 4.58 4.67 2qv6A1 CYS 246 HB2 0.00 0.10 -0.32 -0.04 2.97 2.71 2qv6A1 CYS 246 HB3 -0.01 -0.06 0.07 -0.04 2.97 2.93 2qv6A1 THR 247 H 0.00 0.19 0.17 -0.55 8.28 8.10 2qv6A1 THR 247 HA -0.00 0.27 1.17 -0.75 4.39 5.07 2qv6A1 THR 247 HB 0.01 -0.01 0.10 -0.04 4.32 4.37 2qv6A1 THR 247 HG23 0.02 0.00 -0.18 -0.04 1.22 1.02 2qv6A1 LEU 248 H 0.01 0.90 0.43 -0.55 8.37 9.16 2qv6A1 LEU 248 HA 0.01 0.13 0.90 -0.75 4.35 4.63 2qv6A1 LEU 248 HB2 0.01 0.03 0.08 -0.04 1.64 1.72 2qv6A1 LEU 248 HB3 0.01 0.01 0.01 -0.04 1.64 1.63 2qv6A1 LEU 248 HG 0.00 0.00 -0.32 -0.04 1.64 1.29 2qv6A1 LEU 248 HD13 0.00 -0.00 -0.09 -0.04 0.93 0.80 2qv6A1 LEU 248 HD23 0.00 0.01 0.06 -0.04 0.89 0.92 2qv6A1 LYS 249 H 0.01 0.20 0.18 -0.55 8.42 8.26 2qv6A1 LYS 249 HA 0.03 0.16 1.01 -0.75 4.32 4.77 2qv6A1 LYS 249 HB2 0.02 -0.02 0.07 -0.04 1.87 1.90 2qv6A1 LYS 249 HB3 0.04 0.13 -0.07 -0.04 1.79 1.84 2qv6A1 LYS 249 HG2 0.01 0.00 0.01 -0.04 1.46 1.43 2qv6A1 LYS 249 HG3 0.01 -0.04 -0.12 -0.04 1.46 1.26 2qv6A1 LYS 249 HD2 0.00 -0.00 -0.03 -0.04 1.69 1.62 2qv6A1 LYS 249 HD3 -0.01 0.05 -0.02 -0.04 1.68 1.66 2qv6A1 LYS 249 HE2 -0.04 0.02 -0.03 -0.04 2.99 2.90 2qv6A1 LYS 249 HE3 -0.06 -0.01 -0.04 -0.04 2.99 2.84 2qv6A1 GLN 250 H 0.06 0.44 0.32 -0.55 8.47 8.74 2qv6A1 GLN 250 HA -0.04 0.02 0.66 -0.75 4.36 4.24 2qv6A1 GLN 250 HB2 0.01 0.04 0.25 -0.04 2.15 2.40 2qv6A1 GLN 250 HB3 0.12 0.00 0.26 -0.04 2.02 2.36 2qv6A1 GLN 250 HG2 -0.60 -0.00 -0.16 -0.04 2.40 1.59 2qv6A1 GLN 250 HG3 -0.23 0.00 0.09 -0.04 2.39 2.21 2qv6A1 GLN 250 HE21 -0.09 0.01 0.03 -0.04 6.97 6.87 2qv6A1 GLN 250 HE22 -0.92 0.07 -0.07 -0.04 7.69 6.73 2qv6A1 ASP 251 H -0.07 0.11 0.22 -0.55 8.40 8.11 2qv6A1 ASP 251 HA 0.20 0.15 0.36 -0.75 4.63 4.59 2qv6A1 ASP 251 HB2 0.11 0.01 0.19 -0.04 2.71 2.99 2qv6A1 ASP 251 HB3 0.06 0.06 -0.22 -0.04 2.70 2.57 2qv6A1 ASP 252 H -0.27 0.04 0.10 -0.55 8.40 7.73 2qv6A1 ASP 252 HA -0.08 0.14 0.57 -0.75 4.63 4.50 2qv6A1 ASP 252 HB2 -0.11 0.07 0.19 -0.04 2.71 2.82 2qv6A1 ASP 252 HB3 -0.12 -0.01 0.15 -0.04 2.70 2.68 2qv6A1 PHE 253 H 0.07 0.58 -0.58 -0.55 8.34 7.86 2qv6A1 PHE 253 HA 0.01 0.20 0.40 -0.75 4.62 4.47 2qv6A1 PHE 253 HB2 0.00 0.06 -0.03 -0.04 3.15 3.15 2qv6A1 PHE 253 HB3 0.01 0.03 0.01 -0.04 3.06 3.06 2qv6A1 PHE 253 HD2 0.01 0.05 -0.09 -0.04 7.28 7.21 2qv6A1 PHE 253 HE2 0.01 0.08 -0.07 -0.04 7.38 7.37 2qv6A1 PHE 253 HZ 0.02 -0.09 -0.01 -0.04 7.32 7.20