============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 6 1.000 11.156 10.753 47.876 -99.200 -91.000 TRP 14 1.040 5.274 6.099 31.543 -99.200 -91.000 TRP6 14 1.020 3.039 6.807 31.828 -99.200 -91.000 PHE 15 1.000 11.846 5.475 35.688 -99.200 -91.000 TYR 19 0.840 19.160 -1.093 38.409 -99.200 -91.000 HIS 22 0.900 30.013 -1.597 36.553 -99.200 -91.000 TYR 29 0.840 18.607 4.327 37.337 -99.200 -91.000 TRP 40 1.040 10.671 -2.440 20.254 -99.200 -91.000 TRP6 40 1.020 12.999 -2.239 19.930 -99.200 -91.000 HIS 46 0.900 22.967 11.162 28.486 -99.200 -91.000 PHE 48 1.000 21.280 3.020 27.254 -99.200 -91.000 TYR 51 0.840 30.626 2.698 30.212 -99.200 -91.000 TYR 57 0.840 23.555 -1.337 28.892 -99.200 -91.000 TYR 60 0.840 15.085 -5.080 37.691 -99.200 -91.000 PHE 76 1.000 11.216 -7.470 30.766 -99.200 -91.000 HIS 84 0.900 19.561 9.178 15.012 -99.200 -91.000 TYR 87 0.840 24.801 11.284 21.767 -99.200 -91.000 HIS 94 0.900 24.607 15.101 25.741 -99.200 -91.000 HIS 95 0.900 23.844 18.485 19.216 -99.200 -91.000 TYR 126 0.840 1.938 17.036 10.806 -99.200 -91.000 PHE 131 1.000 3.260 30.071 24.404 -99.200 -91.000 PHE 140 1.000 13.968 4.931 40.928 -99.200 -91.000 TYR 148 0.840 28.153 10.696 47.997 -99.200 -91.000 TYR 150 0.840 21.878 8.665 40.144 -99.200 -91.000 HIS 164 0.900 14.253 27.610 18.694 -99.200 -91.000 HIS 171 0.900 19.251 37.833 28.241 -99.200 -91.000 TYR 172 0.840 15.755 31.692 29.568 -99.200 -91.000 TYR 173 0.840 20.199 25.548 28.217 -99.200 -91.000 TRP 189 1.040 17.263 29.624 41.168 -99.200 -91.000 TRP6 189 1.020 17.680 31.882 41.737 -99.200 -91.000 TRP 218 1.040 20.871 18.920 26.113 -99.200 -91.000 TRP6 218 1.020 21.387 21.215 25.897 -99.200 -91.000 TYR 231 0.840 12.895 17.728 29.891 -99.200 -91.000 HIS 236 0.900 10.826 18.053 15.042 -99.200 -91.000 PHE 237 1.000 14.827 12.213 16.949 -99.200 -91.000 TRP 240 1.040 16.504 6.537 14.355 -99.200 -91.000 TRP6 240 1.020 16.387 5.634 16.523 -99.200 -91.000 HIS 244 0.900 16.683 3.158 12.595 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1fv9A1 ILE 1 HA -0.03 -0.09 0.01 -0.75 4.18 3.31 1fv9A1 ILE 1 HB -0.07 0.07 -0.16 -0.04 1.89 1.69 1fv9A1 ILE 1 HG12 -0.04 -0.05 -0.21 -0.04 1.49 1.15 1fv9A1 ILE 1 HG13 -0.08 0.04 -0.24 -0.04 1.21 0.90 1fv9A1 ILE 1 HG23 -0.04 -0.15 -0.21 -0.04 0.93 0.50 1fv9A1 ILE 1 HD13 -0.04 -0.01 -0.43 -0.04 0.88 0.35 1fv9A1 ILE 2 H -0.02 0.46 0.11 -0.55 8.25 8.25 1fv9A1 ILE 2 HA -0.03 0.48 0.77 -0.75 4.18 4.65 1fv9A1 ILE 2 HB 0.00 -0.19 -0.19 -0.04 1.89 1.47 1fv9A1 ILE 2 HG12 -0.00 0.17 -0.28 -0.04 1.49 1.34 1fv9A1 ILE 2 HG13 0.02 -0.18 -0.29 -0.04 1.21 0.72 1fv9A1 ILE 2 HG23 -0.00 0.04 0.01 -0.04 0.93 0.94 1fv9A1 ILE 2 HD13 -0.01 0.00 -0.59 -0.04 0.88 0.24 1fv9A1 GLY 3 H -0.05 0.01 -0.36 -0.55 8.43 7.48 1fv9A1 GLY 3 HA2 -0.04 0.31 1.08 -0.51 4.01 4.84 1fv9A1 GLY 3 HA3 -0.04 -0.25 0.38 -0.51 4.01 3.59 1fv9A1 GLY 4 H -0.06 -0.06 0.17 -0.55 8.43 7.93 1fv9A1 GLY 4 HA2 -0.08 0.04 0.10 -0.51 4.01 3.56 1fv9A1 GLY 4 HA3 -0.07 -0.06 0.47 -0.51 4.01 3.85 1fv9A1 GLU 5 H -0.09 0.37 0.33 -0.55 8.60 8.66 1fv9A1 GLU 5 HA -0.16 0.18 0.24 -0.75 4.29 3.80 1fv9A1 GLU 5 HB2 -0.05 -0.04 0.09 -0.04 2.09 2.04 1fv9A1 GLU 5 HB3 -0.03 0.11 -0.17 -0.04 1.99 1.86 1fv9A1 GLU 5 HG2 -0.03 0.03 0.02 -0.04 2.34 2.31 1fv9A1 GLU 5 HG3 -0.05 -0.07 -0.07 -0.04 2.34 2.12 1fv9A1 PHE 6 H 0.01 0.13 0.23 -0.55 8.34 8.15 1fv9A1 PHE 6 HA -0.05 0.32 0.83 -0.75 4.62 4.97 1fv9A1 PHE 6 HB2 -0.02 -0.09 0.19 -0.04 3.15 3.18 1fv9A1 PHE 6 HB3 -0.02 0.02 0.00 -0.04 3.06 3.02 1fv9A1 PHE 6 HD2 -0.02 0.17 -0.00 -0.04 7.28 7.39 1fv9A1 PHE 6 HE2 0.00 0.04 -0.06 -0.04 7.38 7.32 1fv9A1 PHE 6 HZ 0.00 -0.05 -0.01 -0.04 7.32 7.23 1fv9A1 THR 7 H 0.10 0.50 0.19 -0.55 8.28 8.52 1fv9A1 THR 7 HA 0.01 0.11 0.59 -0.75 4.39 4.34 1fv9A1 THR 7 HB -0.04 0.02 -0.26 -0.04 4.32 3.99 1fv9A1 THR 7 HG23 -0.12 0.02 -0.33 -0.04 1.22 0.75 1fv9A1 THR 8 H -0.05 0.22 0.16 -0.55 8.28 8.06 1fv9A1 THR 8 HA -0.02 0.22 0.56 -0.75 4.39 4.40 1fv9A1 THR 8 HB -0.01 -0.10 -0.01 -0.04 4.32 4.15 1fv9A1 THR 8 HG23 -0.01 0.04 -0.00 -0.04 1.22 1.21 1fv9A1 ILE 9 H -0.00 0.19 0.09 -0.55 8.25 7.98 1fv9A1 ILE 9 HA -0.07 0.10 -0.10 -0.75 4.18 3.35 1fv9A1 ILE 9 HB 0.05 0.06 -0.20 -0.04 1.89 1.76 1fv9A1 ILE 9 HG12 0.08 -0.10 -0.23 -0.04 1.49 1.21 1fv9A1 ILE 9 HG13 0.00 0.05 -0.17 -0.04 1.21 1.05 1fv9A1 ILE 9 HG23 0.02 0.03 -0.07 -0.04 0.93 0.87 1fv9A1 ILE 9 HD13 0.05 -0.01 0.06 -0.04 0.88 0.93 1fv9A1 GLU 10 H -0.04 0.05 -0.24 -0.55 8.60 7.83 1fv9A1 GLU 10 HA -0.07 0.14 0.24 -0.75 4.29 3.85 1fv9A1 GLU 10 HB2 -0.02 0.10 0.10 -0.04 2.09 2.23 1fv9A1 GLU 10 HB3 -0.02 -0.04 0.04 -0.04 1.99 1.93 1fv9A1 GLU 10 HG2 -0.04 0.02 -0.17 -0.04 2.34 2.11 1fv9A1 GLU 10 HG3 -0.02 0.03 -0.08 -0.04 2.34 2.23 1fv9A1 ASN 11 H -0.11 0.44 -0.19 -0.55 8.53 8.12 1fv9A1 ASN 11 HA -0.13 0.15 0.83 -0.75 4.76 4.85 1fv9A1 ASN 11 HB2 -0.12 0.02 -0.06 -0.04 2.88 2.67 1fv9A1 ASN 11 HB3 -0.09 -0.01 0.11 -0.04 2.79 2.76 1fv9A1 ASN 11 HD21 -0.04 -0.03 0.00 -0.04 7.03 6.93 1fv9A1 ASN 11 HD22 -0.06 -0.15 0.10 -0.04 7.74 7.59 1fv9A1 GLN 12 H -0.28 0.56 -0.34 -0.55 8.47 7.87 1fv9A1 GLN 12 HA -1.02 0.08 0.54 -0.75 4.36 3.21 1fv9A1 GLN 12 HB2 -0.24 -0.01 0.10 -0.04 2.15 1.96 1fv9A1 GLN 12 HB3 -0.40 -0.07 0.15 -0.04 2.02 1.66 1fv9A1 GLN 12 HG2 -0.23 -0.03 -0.42 -0.04 2.40 1.68 1fv9A1 GLN 12 HG3 -0.30 -0.02 -0.17 -0.04 2.39 1.86 1fv9A1 GLN 12 HE21 -0.12 0.00 -0.11 -0.04 6.97 6.70 1fv9A1 GLN 12 HE22 -0.16 -0.11 -0.22 -0.04 7.69 7.16 1fv9A1 PRO 13 HA -0.10 0.13 -0.06 -0.51 4.44 3.90 1fv9A1 PRO 13 HB2 0.05 -0.20 -0.03 -0.04 2.28 2.06 1fv9A1 PRO 13 HB3 -0.03 0.04 -0.10 -0.04 2.02 1.89 1fv9A1 PRO 13 HG2 -0.02 0.02 -0.02 -0.04 2.03 1.98 1fv9A1 PRO 13 HG3 -0.13 0.29 0.05 -0.04 2.03 2.20 1fv9A1 PRO 13 HD2 -0.92 0.09 -0.10 -0.04 3.68 2.71 1fv9A1 PRO 13 HD3 -0.65 0.11 -0.38 -0.04 3.65 2.68 1fv9A1 TRP 14 H -0.88 -0.02 -0.98 -0.55 7.97 5.55 1fv9A1 TRP 14 HA 0.07 0.34 1.19 -0.75 4.62 5.46 1fv9A1 TRP 14 HB2 0.07 -0.25 0.22 -0.04 3.23 3.22 1fv9A1 TRP 14 HB3 0.06 0.28 -0.17 -0.04 3.23 3.35 1fv9A1 TRP 14 HD1 0.14 -0.01 -0.22 -0.04 7.22 7.09 1fv9A1 TRP 14 HE1 0.05 -0.01 -0.08 -0.04 10.20 10.11 1fv9A1 TRP 14 HE3 0.04 0.15 -0.32 -0.04 7.59 7.41 1fv9A1 TRP 14 HZ2 0.00 -0.00 -0.07 -0.04 7.44 7.33 1fv9A1 TRP 14 HZ3 0.02 0.01 -0.08 -0.04 7.13 7.04 1fv9A1 TRP 14 HH2 0.01 -0.01 -0.06 -0.04 7.19 7.08 1fv9A1 PHE 15 H 0.04 0.55 0.16 -0.55 8.34 8.53 1fv9A1 PHE 15 HA 0.19 0.11 0.36 -0.75 4.62 4.53 1fv9A1 PHE 15 HB2 -0.13 -0.01 0.16 -0.04 3.15 3.12 1fv9A1 PHE 15 HB3 -0.03 -0.01 0.14 -0.04 3.06 3.12 1fv9A1 PHE 15 HD2 0.05 0.07 0.03 -0.04 7.28 7.39 1fv9A1 PHE 15 HE2 0.03 -0.01 -0.08 -0.04 7.38 7.28 1fv9A1 PHE 15 HZ 0.22 -0.03 -0.12 -0.04 7.32 7.35 1fv9A1 ALA 16 H -0.18 0.41 0.24 -0.55 8.40 8.33 1fv9A1 ALA 16 HA -0.14 0.45 1.47 -0.75 4.34 5.36 1fv9A1 ALA 16 HB3 -0.05 -0.03 -0.29 -0.04 1.41 0.99 1fv9A1 ALA 17 H -0.11 0.37 0.14 -0.55 8.40 8.25 1fv9A1 ALA 17 HA -0.09 0.17 0.54 -0.75 4.34 4.20 1fv9A1 ALA 17 HB3 0.26 -0.01 0.02 -0.04 1.41 1.65 1fv9A1 ILE 18 H -0.30 0.89 0.46 -0.55 8.25 8.75 1fv9A1 ILE 18 HA 0.01 0.16 1.04 -0.75 4.18 4.64 1fv9A1 ILE 18 HB -0.10 -0.07 0.19 -0.04 1.89 1.87 1fv9A1 ILE 18 HG12 -0.08 -0.05 -0.20 -0.04 1.49 1.12 1fv9A1 ILE 18 HG13 -0.04 -0.03 -0.34 -0.04 1.21 0.76 1fv9A1 ILE 18 HG23 -0.04 -0.02 -0.26 -0.04 0.93 0.57 1fv9A1 ILE 18 HD13 0.03 0.03 -0.28 -0.04 0.88 0.62 1fv9A1 TYR 19 H 0.24 0.81 0.30 -0.55 8.29 9.08 1fv9A1 TYR 19 HA 0.01 -0.00 0.99 -0.75 4.56 4.80 1fv9A1 TYR 19 HB2 0.12 0.05 0.07 -0.04 3.06 3.26 1fv9A1 TYR 19 HB3 0.06 0.09 -0.20 -0.04 2.98 2.89 1fv9A1 TYR 19 HD2 0.20 0.09 -0.33 -0.04 7.15 7.07 1fv9A1 TYR 19 HE2 0.01 -0.02 -0.12 -0.04 6.85 6.68 1fv9A1 ARG 20 H 0.09 0.68 0.41 -0.55 8.46 9.09 1fv9A1 ARG 20 HA -0.24 0.18 0.80 -0.75 4.34 4.32 1fv9A1 ARG 20 HB2 -0.08 0.01 0.16 -0.04 1.90 1.94 1fv9A1 ARG 20 HB3 -0.47 0.05 -0.12 -0.04 1.80 1.22 1fv9A1 ARG 20 HG2 -0.45 0.05 0.04 -0.04 1.67 1.27 1fv9A1 ARG 20 HG3 0.00 -0.06 -0.04 -0.04 1.67 1.53 1fv9A1 ARG 20 HD2 -0.32 -0.01 -0.00 -0.04 3.22 2.85 1fv9A1 ARG 20 HD3 -0.33 -0.03 -0.02 -0.04 3.22 2.80 1fv9A1 ARG 21 H -0.27 0.60 0.40 -0.55 8.46 8.64 1fv9A1 ARG 21 HA -0.02 0.00 0.62 -0.75 4.34 4.19 1fv9A1 ARG 21 HB2 -0.14 0.18 0.24 -0.04 1.90 2.13 1fv9A1 ARG 21 HB3 -0.08 -0.04 -0.07 -0.04 1.80 1.56 1fv9A1 ARG 21 HG2 -0.03 -0.07 -0.01 -0.04 1.67 1.52 1fv9A1 ARG 21 HG3 -0.03 0.01 -0.14 -0.04 1.67 1.46 1fv9A1 ARG 21 HD2 -0.07 0.07 0.01 -0.04 3.22 3.19 1fv9A1 ARG 21 HD3 -0.04 -0.07 -0.02 -0.04 3.22 3.05 1fv9A1 HIS 22 H 0.09 0.25 0.08 -0.55 8.41 8.29 1fv9A1 HIS 22 HA -0.06 0.40 1.30 -0.75 4.63 5.52 1fv9A1 HIS 22 HB2 -0.03 0.23 -0.40 -0.04 3.26 3.03 1fv9A1 HIS 22 HB3 -0.03 -0.08 -0.21 -0.04 3.20 2.83 1fv9A1 HIS 22 HD2 -0.03 0.27 -0.07 -0.04 6.97 7.09 1fv9A1 HIS 22 HE1 -0.13 -0.04 -0.05 -0.04 7.75 7.49 1fv9A1 ARG 23 H 0.10 0.18 0.01 -0.55 8.46 8.19 1fv9A1 ARG 23 HA 0.02 0.04 0.49 -0.75 4.34 4.13 1fv9A1 ARG 23 HB2 0.06 0.03 0.17 -0.04 1.90 2.11 1fv9A1 ARG 23 HB3 0.04 -0.01 0.14 -0.04 1.80 1.93 1fv9A1 ARG 23 HG2 0.01 0.03 0.03 -0.04 1.67 1.70 1fv9A1 ARG 23 HG3 0.03 0.01 0.04 -0.04 1.67 1.70 1fv9A1 ARG 23 HD2 0.01 0.00 0.02 -0.04 3.22 3.22 1fv9A1 ARG 23 HD3 0.01 0.00 0.01 -0.04 3.22 3.20 1fv9A1 GLY 23 H 0.02 0.22 0.18 -0.55 8.43 8.30 1fv9A1 GLY 23 HA2 0.01 0.01 0.40 -0.51 4.01 3.92 1fv9A1 GLY 23 HA3 0.01 0.07 0.48 -0.51 4.01 4.07 1fv9A1 GLY 24 H 0.02 0.46 -0.00 -0.55 8.43 8.36 1fv9A1 GLY 24 HA2 -0.01 -0.01 -0.14 -0.51 4.01 3.35 1fv9A1 GLY 24 HA3 -0.03 0.02 0.29 -0.51 4.01 3.78 1fv9A1 SER 25 H 0.04 0.62 0.48 -0.55 8.46 9.05 1fv9A1 SER 25 HA 0.03 0.03 0.42 -0.75 4.49 4.23 1fv9A1 SER 25 HB2 0.00 0.16 -0.46 -0.04 3.95 3.61 1fv9A1 SER 25 HB3 0.00 -0.06 0.12 -0.04 3.93 3.95 1fv9A1 VAL 26 H 0.03 0.15 0.16 -0.55 8.24 8.04 1fv9A1 VAL 26 HA 0.15 0.42 0.68 -0.75 4.13 4.63 1fv9A1 VAL 26 HB -0.03 -0.08 0.11 -0.04 2.12 2.08 1fv9A1 VAL 26 HG13 0.05 0.04 -0.24 -0.04 0.97 0.78 1fv9A1 VAL 26 HG23 0.01 -0.01 -0.11 -0.04 0.95 0.79 1fv9A1 THR 27 H 0.20 0.50 0.35 -0.55 8.28 8.78 1fv9A1 THR 27 HA 0.16 0.15 0.96 -0.75 4.39 4.91 1fv9A1 THR 27 HB 0.08 0.03 0.06 -0.04 4.32 4.45 1fv9A1 THR 27 HG23 0.01 0.00 -0.14 -0.04 1.22 1.06 1fv9A1 TYR 28 H 0.20 0.14 0.16 -0.55 8.29 8.24 1fv9A1 TYR 28 HA -0.33 0.00 0.48 -0.75 4.56 3.97 1fv9A1 TYR 28 HB2 -0.10 0.01 0.04 -0.04 3.06 2.97 1fv9A1 TYR 28 HB3 -0.09 -0.01 0.09 -0.04 2.98 2.94 1fv9A1 TYR 28 HD2 -0.24 0.01 -0.27 -0.04 7.15 6.61 1fv9A1 TYR 28 HE2 0.14 -0.07 -0.21 -0.04 6.85 6.66 1fv9A1 VAL 29 H -0.50 0.68 0.55 -0.55 8.24 8.43 1fv9A1 VAL 29 HA -0.02 0.11 0.69 -0.75 4.13 4.16 1fv9A1 VAL 29 HB -0.06 0.23 0.14 -0.04 2.12 2.39 1fv9A1 VAL 29 HG13 0.16 -0.02 -0.07 -0.04 0.97 1.00 1fv9A1 VAL 29 HG23 0.15 -0.02 -0.04 -0.04 0.95 1.00 1fv9A1 CYS 30 H -0.65 0.37 0.36 -0.55 8.50 8.02 1fv9A1 CYS 30 HA 0.12 0.07 0.69 -0.75 4.58 4.71 1fv9A1 CYS 30 HB2 -0.08 -0.10 -0.02 -0.04 2.97 2.74 1fv9A1 CYS 30 HB3 -0.04 0.28 0.22 -0.04 2.97 3.40 1fv9A1 GLY 31 H 0.24 0.18 -0.11 -0.55 8.43 8.20 1fv9A1 GLY 31 HA2 -0.19 0.39 0.81 -0.51 4.01 4.52 1fv9A1 GLY 31 HA3 0.41 -0.05 0.19 -0.51 4.01 4.04 1fv9A1 GLY 32 H 0.17 0.12 0.28 -0.55 8.43 8.46 1fv9A1 GLY 32 HA2 0.11 0.47 0.92 -0.51 4.01 5.01 1fv9A1 GLY 32 HA3 0.06 -0.09 0.02 -0.51 4.01 3.50 1fv9A1 SER 33 H 0.10 -0.04 0.38 -0.55 8.46 8.35 1fv9A1 SER 33 HA 0.28 0.38 1.23 -0.75 4.49 5.62 1fv9A1 SER 33 HB2 0.04 0.01 -0.04 -0.04 3.95 3.92 1fv9A1 SER 33 HB3 0.29 0.01 -0.05 -0.04 3.93 4.14 1fv9A1 LEU 34 H 0.28 0.59 0.30 -0.55 8.37 8.98 1fv9A1 LEU 34 HA 0.09 0.17 0.97 -0.75 4.35 4.83 1fv9A1 LEU 34 HB2 0.11 0.02 -0.00 -0.04 1.64 1.73 1fv9A1 LEU 34 HB3 0.20 0.20 0.15 -0.04 1.64 2.15 1fv9A1 LEU 34 HG 0.09 -0.11 -0.55 -0.04 1.64 1.02 1fv9A1 LEU 34 HD13 0.00 0.05 -0.13 -0.04 0.93 0.82 1fv9A1 LEU 34 HD23 0.05 -0.01 -0.38 -0.04 0.89 0.51 1fv9A1 MET 35 H 0.12 0.84 0.43 -0.55 8.47 9.31 1fv9A1 MET 35 HA 0.03 0.15 0.81 -0.75 4.52 4.76 1fv9A1 MET 35 HB2 0.16 0.04 0.06 -0.04 2.15 2.37 1fv9A1 MET 35 HB3 0.04 -0.05 -0.03 -0.04 2.03 1.95 1fv9A1 MET 35 HG2 0.04 -0.01 -0.14 -0.04 2.63 2.48 1fv9A1 MET 35 HG3 -0.03 -0.04 -0.06 -0.04 2.56 2.39 1fv9A1 MET 35 HE3 -0.06 -0.02 -0.02 -0.04 2.10 1.96 1fv9A1 SER 36 H 0.12 0.40 0.16 -0.55 8.46 8.59 1fv9A1 SER 36 HA 0.08 0.15 0.66 -0.75 4.49 4.62 1fv9A1 SER 36 HB2 0.12 0.01 -0.02 -0.04 3.95 4.02 1fv9A1 SER 36 HB3 0.09 0.18 -0.22 -0.04 3.93 3.94 1fv9A1 PRO 37 HA 0.01 0.08 0.03 -0.51 4.44 4.06 1fv9A1 PRO 37 HB2 0.03 -0.03 0.02 -0.04 2.28 2.25 1fv9A1 PRO 37 HB3 0.04 0.36 0.11 -0.04 2.02 2.49 1fv9A1 PRO 37 HG2 0.04 0.05 0.09 -0.04 2.03 2.17 1fv9A1 PRO 37 HG3 0.05 0.09 0.11 -0.04 2.03 2.24 1fv9A1 PRO 37 HD2 0.06 0.11 0.11 -0.04 3.68 3.91 1fv9A1 PRO 37 HD3 0.06 0.14 0.23 -0.04 3.65 4.04 1fv9A1 CYS 38 H 0.03 0.07 -0.35 -0.55 8.50 7.71 1fv9A1 CYS 38 HA -0.19 0.11 0.91 -0.75 4.58 4.65 1fv9A1 CYS 38 HB2 -0.25 0.04 0.04 -0.04 2.97 2.75 1fv9A1 CYS 38 HB3 -0.54 0.04 0.20 -0.04 2.97 2.63 1fv9A1 TRP 39 H 0.11 0.59 0.14 -0.55 7.97 8.26 1fv9A1 TRP 39 HA -0.04 0.36 1.37 -0.75 4.62 5.55 1fv9A1 TRP 39 HB2 -0.01 -0.06 0.01 -0.04 3.23 3.12 1fv9A1 TRP 39 HB3 -0.01 0.02 -0.15 -0.04 3.23 3.05 1fv9A1 TRP 39 HD1 -0.01 -0.08 -0.14 -0.04 7.22 6.95 1fv9A1 TRP 39 HE1 -0.02 0.11 -0.05 -0.04 10.20 10.20 1fv9A1 TRP 39 HE3 -0.01 -0.03 -0.18 -0.04 7.59 7.32 1fv9A1 TRP 39 HZ2 -0.04 0.03 0.00 -0.04 7.44 7.39 1fv9A1 TRP 39 HZ3 -0.01 -0.04 -0.47 -0.04 7.13 6.56 1fv9A1 TRP 39 HH2 -0.04 0.03 -0.08 -0.04 7.19 7.05 1fv9A1 VAL 40 H 0.38 0.34 0.37 -0.55 8.24 8.78 1fv9A1 VAL 40 HA 0.12 0.47 1.36 -0.75 4.13 5.32 1fv9A1 VAL 40 HB 0.07 -0.05 -0.08 -0.04 2.12 2.02 1fv9A1 VAL 40 HG13 0.05 -0.00 -0.25 -0.04 0.97 0.73 1fv9A1 VAL 40 HG23 -0.04 0.01 -0.32 -0.04 0.95 0.56 1fv9A1 ILE 41 H 0.09 0.07 0.42 -0.55 8.25 8.27 1fv9A1 ILE 41 HA 0.09 0.32 1.21 -0.75 4.18 5.05 1fv9A1 ILE 41 HB 0.03 -0.00 -0.13 -0.04 1.89 1.75 1fv9A1 ILE 41 HG12 -0.01 -0.00 -0.01 -0.04 1.49 1.43 1fv9A1 ILE 41 HG13 0.03 0.05 0.03 -0.04 1.21 1.27 1fv9A1 ILE 41 HG23 0.03 0.01 0.02 -0.04 0.93 0.94 1fv9A1 ILE 41 HD13 -0.02 -0.01 -0.08 -0.04 0.88 0.74 1fv9A1 SER 42 H 0.05 0.62 0.43 -0.55 8.46 9.01 1fv9A1 SER 42 HA 0.01 0.17 0.73 -0.75 4.49 4.65 1fv9A1 SER 42 HB2 0.09 0.08 -0.22 -0.04 3.95 3.86 1fv9A1 SER 42 HB3 0.16 -0.07 -0.04 -0.04 3.93 3.94 1fv9A1 ALA 43 H -0.23 0.30 0.12 -0.55 8.40 8.04 1fv9A1 ALA 43 HA -0.16 0.17 1.17 -0.75 4.34 4.77 1fv9A1 ALA 43 HB3 -0.15 0.03 -0.11 -0.04 1.41 1.13 1fv9A1 THR 44 H -0.19 0.18 -0.16 -0.55 8.28 7.56 1fv9A1 THR 44 HA -0.24 0.06 -0.04 -0.75 4.39 3.41 1fv9A1 THR 44 HB -0.15 0.02 0.08 -0.04 4.32 4.23 1fv9A1 THR 44 HG23 -0.07 -0.00 0.20 -0.04 1.22 1.31 1fv9A1 HIS 45 H -0.30 0.05 -0.41 -0.55 8.41 7.20 1fv9A1 HIS 45 HA -0.39 0.04 0.20 -0.75 4.63 3.72 1fv9A1 HIS 45 HB2 -0.09 0.04 0.06 -0.04 3.26 3.23 1fv9A1 HIS 45 HB3 -0.14 -0.08 0.04 -0.04 3.20 2.98 1fv9A1 HIS 45 HD2 -0.21 -0.08 0.04 -0.04 6.97 6.68 1fv9A1 HIS 45 HE1 -0.06 -0.05 -0.00 -0.04 7.75 7.59 1fv9A1 CYS 46 H -0.84 0.64 -0.31 -0.55 8.50 7.44 1fv9A1 CYS 46 HA -0.38 0.07 0.14 -0.75 4.58 3.65 1fv9A1 CYS 46 HB2 -1.87 -0.00 0.00 -0.04 2.97 1.06 1fv9A1 CYS 46 HB3 -0.65 0.01 -0.05 -0.04 2.97 2.24 1fv9A1 PHE 47 H -0.54 0.35 -0.13 -0.55 8.34 7.46 1fv9A1 PHE 47 HA 0.10 0.28 0.92 -0.75 4.62 5.17 1fv9A1 PHE 47 HB2 -0.10 -0.03 -0.25 -0.04 3.15 2.74 1fv9A1 PHE 47 HB3 -0.12 0.04 -0.15 -0.04 3.06 2.79 1fv9A1 PHE 47 HD2 -0.19 0.05 -0.32 -0.04 7.28 6.78 1fv9A1 PHE 47 HE2 -0.20 -0.02 -0.24 -0.04 7.38 6.89 1fv9A1 PHE 47 HZ -0.19 0.05 -0.18 -0.04 7.32 6.97 1fv9A1 ILE 48 H -0.09 0.55 -0.01 -0.55 8.25 8.15 1fv9A1 ILE 48 HA 0.04 0.03 0.28 -0.75 4.18 3.78 1fv9A1 ILE 48 HB -0.20 -0.07 -0.03 -0.04 1.89 1.55 1fv9A1 ILE 48 HG12 0.03 0.00 -0.16 -0.04 1.49 1.33 1fv9A1 ILE 48 HG13 0.02 0.04 0.01 -0.04 1.21 1.24 1fv9A1 ILE 48 HG23 -0.07 0.04 -0.13 -0.04 0.93 0.73 1fv9A1 ILE 48 HD13 0.06 -0.01 -0.04 -0.04 0.88 0.85 1fv9A1 ASP 49 H 0.01 0.15 -0.28 -0.55 8.40 7.73 1fv9A1 ASP 49 HA -0.12 0.10 0.70 -0.75 4.63 4.55 1fv9A1 ASP 49 HB2 -0.39 0.05 -0.02 -0.04 2.71 2.30 1fv9A1 ASP 49 HB3 -0.57 -0.01 0.02 -0.04 2.70 2.10 1fv9A1 TYR 50 H 0.20 0.29 -0.36 -0.55 8.29 7.86 1fv9A1 TYR 50 HA 0.08 0.15 0.74 -0.75 4.56 4.77 1fv9A1 TYR 50 HB2 0.22 0.04 0.14 -0.04 3.06 3.42 1fv9A1 TYR 50 HB3 0.06 -0.03 0.13 -0.04 2.98 3.09 1fv9A1 TYR 50 HD2 0.08 0.04 -0.03 -0.04 7.15 7.20 1fv9A1 TYR 50 HE2 0.08 -0.01 -0.03 -0.04 6.85 6.84 1fv9A1 PRO 51 HA 0.23 0.10 -0.25 -0.51 4.44 4.01 1fv9A1 PRO 51 HB2 0.09 -0.05 0.11 -0.04 2.28 2.39 1fv9A1 PRO 51 HB3 0.11 -0.02 -0.02 -0.04 2.02 2.05 1fv9A1 PRO 51 HG2 0.06 -0.03 -0.02 -0.04 2.03 2.00 1fv9A1 PRO 51 HG3 0.07 0.26 -0.06 -0.04 2.03 2.26 1fv9A1 PRO 51 HD2 0.08 0.03 -0.08 -0.04 3.68 3.66 1fv9A1 PRO 51 HD3 0.05 0.30 -0.25 -0.04 3.65 3.71 1fv9A1 LYS 52 H 0.14 0.44 -0.03 -0.55 8.42 8.41 1fv9A1 LYS 52 HA 0.06 0.10 0.66 -0.75 4.32 4.38 1fv9A1 LYS 52 HB2 0.01 0.07 0.11 -0.04 1.87 2.02 1fv9A1 LYS 52 HB3 -0.00 -0.08 -0.01 -0.04 1.79 1.66 1fv9A1 LYS 52 HG2 0.03 0.02 -0.03 -0.04 1.46 1.44 1fv9A1 LYS 52 HG3 0.04 0.03 -0.09 -0.04 1.46 1.40 1fv9A1 LYS 52 HD2 0.02 0.00 -0.03 -0.04 1.69 1.64 1fv9A1 LYS 52 HD3 0.00 0.02 -0.03 -0.04 1.68 1.63 1fv9A1 LYS 52 HE2 0.01 -0.01 -0.01 -0.04 2.99 2.94 1fv9A1 LYS 52 HE3 -0.00 0.00 -0.02 -0.04 2.99 2.93 1fv9A1 LYS 53 H 0.08 0.27 0.07 -0.55 8.42 8.28 1fv9A1 LYS 53 HA 0.21 0.03 0.17 -0.75 4.32 3.97 1fv9A1 LYS 53 HB2 0.03 0.07 -0.05 -0.04 1.87 1.88 1fv9A1 LYS 53 HB3 0.04 -0.03 0.10 -0.04 1.79 1.86 1fv9A1 LYS 53 HG2 0.02 -0.02 0.09 -0.04 1.46 1.52 1fv9A1 LYS 53 HG3 0.02 -0.11 0.11 -0.04 1.46 1.44 1fv9A1 LYS 53 HD2 -0.00 0.43 -0.13 -0.04 1.69 1.95 1fv9A1 LYS 53 HD3 -0.00 -0.04 -0.29 -0.04 1.68 1.31 1fv9A1 LYS 53 HE2 -0.01 -0.09 0.03 -0.04 2.99 2.88 1fv9A1 LYS 53 HE3 -0.02 0.06 0.10 -0.04 2.99 3.09 1fv9A1 GLU 54 H 0.01 -0.01 -0.37 -0.55 8.60 7.68 1fv9A1 GLU 54 HA -0.02 0.05 -0.50 -0.75 4.29 3.07 1fv9A1 GLU 54 HB2 -0.02 -0.05 0.04 -0.04 2.09 2.02 1fv9A1 GLU 54 HB3 -0.04 0.01 0.07 -0.04 1.99 1.99 1fv9A1 GLU 54 HG2 -0.02 -0.01 0.03 -0.04 2.34 2.29 1fv9A1 GLU 54 HG3 -0.02 0.04 0.02 -0.04 2.34 2.34 1fv9A1 ASP 55 H -0.21 0.62 -0.02 -0.55 8.40 8.24 1fv9A1 ASP 55 HA -0.19 0.13 0.98 -0.75 4.63 4.80 1fv9A1 ASP 55 HB2 -0.66 0.07 0.00 -0.04 2.71 2.08 1fv9A1 ASP 55 HB3 -0.38 -0.08 0.23 -0.04 2.70 2.43 1fv9A1 TYR 56 H -0.29 0.42 0.12 -0.55 8.29 7.99 1fv9A1 TYR 56 HA -0.03 0.45 0.92 -0.75 4.56 5.15 1fv9A1 TYR 56 HB2 -0.12 -0.03 -0.07 -0.04 3.06 2.80 1fv9A1 TYR 56 HB3 -0.12 -0.10 -0.14 -0.04 2.98 2.58 1fv9A1 TYR 56 HD2 -0.12 0.06 -0.11 -0.04 7.15 6.94 1fv9A1 TYR 56 HE2 0.00 -0.04 -0.24 -0.04 6.85 6.53 1fv9A1 ILE 57 H 0.18 0.39 0.09 -0.55 8.25 8.36 1fv9A1 ILE 57 HA 0.04 0.28 0.71 -0.75 4.18 4.45 1fv9A1 ILE 57 HB 0.23 -0.06 0.13 -0.04 1.89 2.15 1fv9A1 ILE 57 HG12 -0.00 0.01 -0.20 -0.04 1.49 1.25 1fv9A1 ILE 57 HG13 0.02 0.06 -0.59 -0.04 1.21 0.65 1fv9A1 ILE 57 HG23 0.01 -0.02 -0.10 -0.04 0.93 0.78 1fv9A1 ILE 57 HD13 0.03 -0.02 -0.16 -0.04 0.88 0.68 1fv9A1 VAL 58 H 0.08 0.39 0.12 -0.55 8.24 8.27 1fv9A1 VAL 58 HA 0.21 0.34 1.25 -0.75 4.13 5.18 1fv9A1 VAL 58 HB 0.02 0.04 -0.24 -0.04 2.12 1.90 1fv9A1 VAL 58 HG13 -0.01 -0.02 -0.22 -0.04 0.97 0.68 1fv9A1 VAL 58 HG23 -0.02 -0.01 -0.35 -0.04 0.95 0.53 1fv9A1 TYR 59 H 0.28 0.58 0.25 -0.55 8.29 8.85 1fv9A1 TYR 59 HA 0.25 0.22 1.05 -0.75 4.56 5.32 1fv9A1 TYR 59 HB2 0.21 -0.03 0.04 -0.04 3.06 3.24 1fv9A1 TYR 59 HB3 0.17 -0.04 -0.18 -0.04 2.98 2.88 1fv9A1 TYR 59 HD2 0.23 0.05 -0.25 -0.04 7.15 7.14 1fv9A1 TYR 59 HE2 -0.01 -0.00 -0.16 -0.04 6.85 6.64 1fv9A1 LEU 60 H 0.28 0.39 0.25 -0.55 8.37 8.75 1fv9A1 LEU 60 HA 0.12 0.34 0.93 -0.75 4.35 4.99 1fv9A1 LEU 60 HB2 0.13 -0.03 -0.11 -0.04 1.64 1.58 1fv9A1 LEU 60 HB3 0.07 0.10 0.02 -0.04 1.64 1.79 1fv9A1 LEU 60 HG -0.07 -0.02 -0.13 -0.04 1.64 1.38 1fv9A1 LEU 60 HD13 -0.17 0.00 -0.16 -0.04 0.93 0.56 1fv9A1 LEU 60 HD23 -0.09 0.04 -0.51 -0.04 0.89 0.28 1fv9A1 GLY 61 H 0.12 0.31 0.14 -0.55 8.43 8.45 1fv9A1 GLY 61 HA2 0.09 0.15 0.30 -0.51 4.01 4.04 1fv9A1 GLY 61 HA3 0.12 0.06 0.42 -0.51 4.01 4.10 1fv9A1 ARG 62 H 0.19 0.14 -0.43 -0.55 8.46 7.81 1fv9A1 ARG 62 HA 0.11 -0.03 0.34 -0.75 4.34 4.00 1fv9A1 ARG 62 HB2 0.17 0.05 -0.12 -0.04 1.90 1.95 1fv9A1 ARG 62 HB3 0.23 0.03 -0.08 -0.04 1.80 1.94 1fv9A1 ARG 62 HG2 -0.01 0.07 -0.17 -0.04 1.67 1.52 1fv9A1 ARG 62 HG3 0.12 -0.14 -0.26 -0.04 1.67 1.35 1fv9A1 ARG 62 HD2 -0.02 -0.15 0.20 -0.04 3.22 3.21 1fv9A1 ARG 62 HD3 -0.15 -0.04 -0.01 -0.04 3.22 2.98 1fv9A1 SER 63 H 0.10 0.09 0.19 -0.55 8.46 8.30 1fv9A1 SER 63 HA 0.17 0.23 0.95 -0.75 4.49 5.08 1fv9A1 SER 63 HB2 0.06 -0.01 0.11 -0.04 3.95 4.06 1fv9A1 SER 63 HB3 0.06 0.09 0.01 -0.04 3.93 4.04 1fv9A1 ARG 64 H 0.14 0.14 0.04 -0.55 8.46 8.23 1fv9A1 ARG 64 HA 0.25 0.15 0.67 -0.75 4.34 4.66 1fv9A1 ARG 64 HB2 -0.00 -0.12 0.05 -0.04 1.90 1.78 1fv9A1 ARG 64 HB3 -0.04 0.15 0.02 -0.04 1.80 1.89 1fv9A1 ARG 64 HG2 -0.00 0.07 0.20 -0.04 1.67 1.89 1fv9A1 ARG 64 HG3 0.04 -0.06 -0.41 -0.04 1.67 1.20 1fv9A1 ARG 64 HD2 -0.04 -0.00 -0.03 -0.04 3.22 3.11 1fv9A1 ARG 64 HD3 -0.02 -0.08 -0.07 -0.04 3.22 3.01 1fv9A1 LEU 65 H -0.67 0.30 -0.00 -0.55 8.37 7.45 1fv9A1 LEU 65 HA -0.53 -0.01 0.17 -0.75 4.35 3.22 1fv9A1 LEU 65 HB2 -0.56 0.18 0.06 -0.04 1.64 1.28 1fv9A1 LEU 65 HB3 -0.21 -0.05 -0.01 -0.04 1.64 1.33 1fv9A1 LEU 65 HG -0.08 -0.03 -0.16 -0.04 1.64 1.32 1fv9A1 LEU 65 HD13 -0.43 -0.01 -0.00 -0.04 0.93 0.45 1fv9A1 LEU 65 HD23 -0.10 0.02 -0.08 -0.04 0.89 0.68 1fv9A1 ASN 66 H -0.12 0.07 -0.22 -0.55 8.53 7.72 1fv9A1 ASN 66 HA -0.12 0.24 0.97 -0.75 4.76 5.10 1fv9A1 ASN 66 HB2 -0.07 -0.05 0.01 -0.04 2.88 2.73 1fv9A1 ASN 66 HB3 -0.07 -0.04 0.22 -0.04 2.79 2.86 1fv9A1 ASN 66 HD21 0.05 -0.04 -0.01 -0.04 7.03 6.99 1fv9A1 ASN 66 HD22 -0.10 0.02 0.13 -0.04 7.74 7.74 1fv9A1 SER 67 H -0.09 0.64 0.13 -0.55 8.46 8.59 1fv9A1 SER 67 HA -0.05 0.13 0.83 -0.75 4.49 4.64 1fv9A1 SER 67 HB2 -0.04 -0.03 -0.02 -0.04 3.95 3.82 1fv9A1 SER 67 HB3 -0.03 0.03 -0.05 -0.04 3.93 3.83 1fv9A1 ASN 68 H -0.04 0.17 0.10 -0.55 8.53 8.22 1fv9A1 ASN 68 HA -0.03 0.08 0.67 -0.75 4.76 4.72 1fv9A1 ASN 68 HB2 -0.01 -0.01 0.19 -0.04 2.88 3.01 1fv9A1 ASN 68 HB3 0.02 0.04 0.06 -0.04 2.79 2.86 1fv9A1 ASN 68 HD21 0.01 0.03 -0.04 -0.04 7.03 6.99 1fv9A1 ASN 68 HD22 0.04 0.00 -0.02 -0.04 7.74 7.72 1fv9A1 THR 69 H 0.02 0.12 0.21 -0.55 8.28 8.08 1fv9A1 THR 69 HA 0.01 0.18 0.76 -0.75 4.39 4.60 1fv9A1 THR 69 HB 0.05 0.23 0.00 -0.04 4.32 4.56 1fv9A1 THR 69 HG23 0.03 -0.03 0.10 -0.04 1.22 1.27 1fv9A1 GLN 70 H 0.02 0.10 0.15 -0.55 8.47 8.19 1fv9A1 GLN 70 HA 0.03 0.00 0.21 -0.75 4.36 3.85 1fv9A1 GLN 70 HB2 0.02 0.04 0.04 -0.04 2.15 2.21 1fv9A1 GLN 70 HB3 0.02 0.02 0.10 -0.04 2.02 2.11 1fv9A1 GLN 70 HG2 0.01 0.02 0.09 -0.04 2.40 2.48 1fv9A1 GLN 70 HG3 0.02 -0.08 0.19 -0.04 2.39 2.47 1fv9A1 GLN 70 HE21 0.02 -0.04 0.02 -0.04 6.97 6.93 1fv9A1 GLN 70 HE22 0.02 -0.04 0.05 -0.04 7.69 7.68 1fv9A1 GLY 71 H 0.04 0.16 0.25 -0.55 8.43 8.33 1fv9A1 GLY 71 HA2 0.04 0.00 0.36 -0.51 4.01 3.90 1fv9A1 GLY 71 HA3 0.04 0.06 0.74 -0.51 4.01 4.33 1fv9A1 GLU 72 H 0.08 0.13 0.05 -0.55 8.60 8.31 1fv9A1 GLU 72 HA 0.14 0.09 0.28 -0.75 4.29 4.04 1fv9A1 GLU 72 HB2 0.29 0.10 -0.06 -0.04 2.09 2.38 1fv9A1 GLU 72 HB3 0.14 -0.03 -0.13 -0.04 1.99 1.93 1fv9A1 GLU 72 HG2 0.12 -0.08 -0.16 -0.04 2.34 2.19 1fv9A1 GLU 72 HG3 0.29 -0.01 -0.33 -0.04 2.34 2.25 1fv9A1 MET 73 H 0.21 0.50 0.31 -0.55 8.47 8.94 1fv9A1 MET 73 HA 0.01 0.12 0.77 -0.75 4.52 4.67 1fv9A1 MET 73 HB2 0.31 -0.04 0.06 -0.04 2.15 2.44 1fv9A1 MET 73 HB3 -0.05 0.04 -0.03 -0.04 2.03 1.95 1fv9A1 MET 73 HG2 -0.00 -0.02 0.07 -0.04 2.63 2.64 1fv9A1 MET 73 HG3 0.08 0.15 -0.17 -0.04 2.56 2.58 1fv9A1 MET 73 HE3 0.08 0.09 0.07 -0.04 2.10 2.30 1fv9A1 LYS 74 H -0.22 0.10 0.14 -0.55 8.42 7.89 1fv9A1 LYS 74 HA -0.65 0.17 0.61 -0.75 4.32 3.70 1fv9A1 LYS 74 HB2 -0.19 -0.03 0.03 -0.04 1.87 1.64 1fv9A1 LYS 74 HB3 -0.26 -0.06 0.09 -0.04 1.79 1.52 1fv9A1 LYS 74 HG2 -0.35 0.06 -0.04 -0.04 1.46 1.09 1fv9A1 LYS 74 HG3 -0.61 0.03 -0.03 -0.04 1.46 0.80 1fv9A1 LYS 74 HD2 -0.04 0.01 -0.05 -0.04 1.69 1.57 1fv9A1 LYS 74 HD3 -0.11 -0.05 -0.03 -0.04 1.68 1.44 1fv9A1 LYS 74 HE2 -0.11 -0.06 -0.08 -0.04 2.99 2.71 1fv9A1 LYS 74 HE3 -0.11 0.07 -0.10 -0.04 2.99 2.81 1fv9A1 PHE 75 H -0.19 0.49 0.27 -0.55 8.34 8.36 1fv9A1 PHE 75 HA -0.12 0.00 0.66 -0.75 4.62 4.41 1fv9A1 PHE 75 HB2 -0.09 0.05 -0.01 -0.04 3.15 3.06 1fv9A1 PHE 75 HB3 -0.08 0.24 -0.03 -0.04 3.06 3.15 1fv9A1 PHE 75 HD2 -0.09 -0.22 -0.29 -0.04 7.28 6.64 1fv9A1 PHE 75 HE2 -0.03 0.02 -0.18 -0.04 7.38 7.15 1fv9A1 PHE 75 HZ -0.02 -0.07 -0.15 -0.04 7.32 7.05 1fv9A1 GLU 76 H -0.04 0.21 0.12 -0.55 8.60 8.34 1fv9A1 GLU 76 HA 0.01 0.30 0.79 -0.75 4.29 4.63 1fv9A1 GLU 76 HB2 -0.04 0.04 0.03 -0.04 2.09 2.09 1fv9A1 GLU 76 HB3 -0.02 -0.02 -0.13 -0.04 1.99 1.78 1fv9A1 GLU 76 HG2 -0.03 -0.01 -0.02 -0.04 2.34 2.23 1fv9A1 GLU 76 HG3 -0.02 0.17 0.07 -0.04 2.34 2.51 1fv9A1 VAL 77 H -0.00 0.30 -0.09 -0.55 8.24 7.90 1fv9A1 VAL 77 HA -0.05 0.25 0.52 -0.75 4.13 4.10 1fv9A1 VAL 77 HB 0.03 0.05 -0.00 -0.04 2.12 2.16 1fv9A1 VAL 77 HG13 -0.08 -0.04 -0.27 -0.04 0.97 0.54 1fv9A1 VAL 77 HG23 -0.02 0.00 -0.41 -0.04 0.95 0.48 1fv9A1 GLU 78 H -0.11 0.87 0.26 -0.55 8.60 9.07 1fv9A1 GLU 78 HA -0.05 0.04 0.63 -0.75 4.29 4.16 1fv9A1 GLU 78 HB2 -0.13 0.12 -0.06 -0.04 2.09 1.99 1fv9A1 GLU 78 HB3 -0.14 -0.03 -0.08 -0.04 1.99 1.71 1fv9A1 GLU 78 HG2 -0.08 0.01 -0.05 -0.04 2.34 2.18 1fv9A1 GLU 78 HG3 -0.06 -0.04 0.04 -0.04 2.34 2.24 1fv9A1 ASN 79 H -0.11 0.30 0.13 -0.55 8.53 8.29 1fv9A1 ASN 79 HA -0.00 0.10 0.24 -0.75 4.76 4.34 1fv9A1 ASN 79 HB2 -0.03 0.13 -0.15 -0.04 2.88 2.80 1fv9A1 ASN 79 HB3 0.02 -0.04 -0.02 -0.04 2.79 2.71 1fv9A1 ASN 79 HD21 0.04 -0.01 0.10 -0.04 7.03 7.12 1fv9A1 ASN 79 HD22 0.02 -0.02 0.18 -0.04 7.74 7.89 1fv9A1 LEU 80 H 0.04 0.31 0.17 -0.55 8.37 8.35 1fv9A1 LEU 80 HA 0.03 0.27 0.76 -0.75 4.35 4.66 1fv9A1 LEU 80 HB2 -0.12 -0.00 -0.07 -0.04 1.64 1.41 1fv9A1 LEU 80 HB3 0.00 -0.02 0.10 -0.04 1.64 1.68 1fv9A1 LEU 80 HG -0.00 -0.04 -0.26 -0.04 1.64 1.30 1fv9A1 LEU 80 HD13 -0.66 0.01 -0.19 -0.04 0.93 0.05 1fv9A1 LEU 80 HD23 -0.14 0.02 -0.26 -0.04 0.89 0.47 1fv9A1 ILE 81 H 0.18 0.51 0.25 -0.55 8.25 8.64 1fv9A1 ILE 81 HA 0.14 0.22 1.10 -0.75 4.18 4.88 1fv9A1 ILE 81 HB 0.12 -0.07 0.11 -0.04 1.89 2.02 1fv9A1 ILE 81 HG12 0.08 0.04 -0.03 -0.04 1.49 1.54 1fv9A1 ILE 81 HG13 0.12 0.12 -0.23 -0.04 1.21 1.17 1fv9A1 ILE 81 HG23 0.11 -0.00 -0.13 -0.04 0.93 0.87 1fv9A1 ILE 81 HD13 0.34 0.02 -0.26 -0.04 0.88 0.94 1fv9A1 LEU 82 H 0.19 0.24 0.16 -0.55 8.37 8.42 1fv9A1 LEU 82 HA 0.23 0.15 0.71 -0.75 4.35 4.69 1fv9A1 LEU 82 HB2 0.13 0.06 0.04 -0.04 1.64 1.82 1fv9A1 LEU 82 HB3 0.09 0.00 0.05 -0.04 1.64 1.75 1fv9A1 LEU 82 HG 0.13 0.01 -0.29 -0.04 1.64 1.45 1fv9A1 LEU 82 HD13 0.10 0.02 -0.19 -0.04 0.93 0.82 1fv9A1 LEU 82 HD23 0.19 0.00 -0.22 -0.04 0.89 0.82 1fv9A1 HIS 83 H 0.19 0.17 0.30 -0.55 8.41 8.53 1fv9A1 HIS 83 HA 0.52 0.07 0.61 -0.75 4.63 5.08 1fv9A1 HIS 83 HB2 -0.47 0.14 0.26 -0.04 3.26 3.14 1fv9A1 HIS 83 HB3 -0.04 0.02 0.32 -0.04 3.20 3.46 1fv9A1 HIS 83 HD2 0.04 -0.09 -0.08 -0.04 6.97 6.79 1fv9A1 HIS 83 HE1 -0.18 0.01 0.02 -0.04 7.75 7.56 1fv9A1 LYS 84 H 0.08 0.18 0.26 -0.55 8.42 8.39 1fv9A1 LYS 84 HA 0.08 0.11 0.35 -0.75 4.32 4.11 1fv9A1 LYS 84 HB2 0.05 0.02 0.18 -0.04 1.87 2.08 1fv9A1 LYS 84 HB3 0.11 0.05 0.19 -0.04 1.79 2.10 1fv9A1 LYS 84 HG2 0.17 0.03 0.09 -0.04 1.46 1.71 1fv9A1 LYS 84 HG3 -0.30 -0.10 0.10 -0.04 1.46 1.12 1fv9A1 LYS 84 HD2 0.01 0.01 -0.14 -0.04 1.69 1.53 1fv9A1 LYS 84 HD3 0.06 0.02 0.01 -0.04 1.68 1.72 1fv9A1 LYS 84 HE2 0.10 -0.00 -0.02 -0.04 2.99 3.02 1fv9A1 LYS 84 HE3 0.12 0.02 0.01 -0.04 2.99 3.09 1fv9A1 ASP 85 H 0.16 -0.06 -0.81 -0.55 8.40 7.15 1fv9A1 ASP 85 HA 0.12 0.32 1.12 -0.75 4.63 5.44 1fv9A1 ASP 85 HB2 0.44 -0.05 -0.04 -0.04 2.71 3.01 1fv9A1 ASP 85 HB3 0.15 0.00 0.10 -0.04 2.70 2.92 1fv9A1 TYR 86 H 0.31 0.36 0.09 -0.55 8.29 8.51 1fv9A1 TYR 86 HA 0.09 0.19 0.42 -0.75 4.56 4.50 1fv9A1 TYR 86 HB2 0.06 0.02 0.26 -0.04 3.06 3.36 1fv9A1 TYR 86 HB3 0.08 0.00 0.16 -0.04 2.98 3.19 1fv9A1 TYR 86 HD2 0.03 0.08 -0.20 -0.04 7.15 7.03 1fv9A1 TYR 86 HE2 0.09 -0.03 -0.13 -0.04 6.85 6.73 1fv9A1 SER 87 H -0.48 0.28 0.25 -0.55 8.46 7.96 1fv9A1 SER 87 HA -0.27 0.13 0.73 -0.75 4.49 4.32 1fv9A1 SER 87 HB2 -0.15 0.00 0.01 -0.04 3.95 3.77 1fv9A1 SER 87 HB3 -0.13 0.14 -0.29 -0.04 3.93 3.61 1fv9A1 ALA 88 H -0.18 0.19 0.05 -0.55 8.40 7.91 1fv9A1 ALA 88 HA -0.60 0.20 0.80 -0.75 4.34 3.98 1fv9A1 ALA 88 HB3 -0.06 -0.00 0.05 -0.04 1.41 1.36 1fv9A1 ASP 89 H -0.24 0.39 0.10 -0.55 8.40 8.10 1fv9A1 ASP 89 HA -0.18 0.02 0.58 -0.75 4.63 4.30 1fv9A1 ASP 89 HB2 -0.02 0.12 0.03 -0.04 2.71 2.80 1fv9A1 ASP 89 HB3 -0.15 -0.02 -0.02 -0.04 2.70 2.47 1fv9A1 THR 90 H -0.16 0.08 0.08 -0.55 8.28 7.73 1fv9A1 THR 90 HA -0.16 0.01 0.21 -0.75 4.39 3.69 1fv9A1 THR 90 HB -0.09 0.01 0.13 -0.04 4.32 4.32 1fv9A1 THR 90 HG23 -0.05 0.01 0.01 -0.04 1.22 1.15 1fv9A1 LEU 91 H -0.21 0.13 0.02 -0.55 8.37 7.77 1fv9A1 LEU 91 HA -0.09 -0.02 0.34 -0.75 4.35 3.83 1fv9A1 LEU 91 HB2 -0.24 0.08 0.29 -0.04 1.64 1.73 1fv9A1 LEU 91 HB3 0.11 -0.04 0.01 -0.04 1.64 1.68 1fv9A1 LEU 91 HG 0.00 -0.05 -0.34 -0.04 1.64 1.20 1fv9A1 LEU 91 HD13 0.24 0.01 -0.04 -0.04 0.93 1.11 1fv9A1 LEU 91 HD23 0.12 -0.01 -0.05 -0.04 0.89 0.91 1fv9A1 ALA 92 H -0.83 0.62 0.10 -0.55 8.40 7.75 1fv9A1 ALA 92 HA -3.86 -0.12 0.10 -0.75 4.34 -0.29 1fv9A1 ALA 92 HB3 -1.02 -0.02 -0.15 -0.04 1.41 0.17 1fv9A1 HIS 93 H -2.37 0.05 0.10 -0.55 8.41 5.64 1fv9A1 HIS 93 HA -0.65 0.39 1.00 -0.75 4.63 4.62 1fv9A1 HIS 93 HB2 -0.10 -0.07 -0.02 -0.04 3.26 3.03 1fv9A1 HIS 93 HB3 -0.09 -0.09 -0.12 -0.04 3.20 2.86 1fv9A1 HIS 93 HD2 -0.35 -0.03 0.05 -0.04 6.97 6.60 1fv9A1 HIS 93 HE1 -0.04 -0.02 -0.05 -0.04 7.75 7.60 1fv9A1 HIS 94 H -0.45 0.42 0.24 -0.55 8.41 8.08 1fv9A1 HIS 94 HA -0.07 0.12 1.13 -0.75 4.63 5.05 1fv9A1 HIS 94 HB2 -0.32 -0.10 0.28 -0.04 3.26 3.09 1fv9A1 HIS 94 HB3 -0.14 0.01 -0.09 -0.04 3.20 2.94 1fv9A1 HIS 94 HD2 -0.08 -0.08 -0.06 -0.04 6.97 6.70 1fv9A1 HIS 94 HE1 -0.28 -0.01 -0.10 -0.04 7.75 7.31 1fv9A1 ASN 95 H 0.06 0.19 0.13 -0.55 8.53 8.36 1fv9A1 ASN 95 HA 0.09 0.06 0.29 -0.75 4.76 4.44 1fv9A1 ASN 95 HB2 -0.07 0.04 0.26 -0.04 2.88 3.07 1fv9A1 ASN 95 HB3 -0.58 -0.00 0.13 -0.04 2.79 2.30 1fv9A1 ASN 95 HD21 0.07 0.04 -0.03 -0.04 7.03 7.07 1fv9A1 ASN 95 HD22 -0.09 -0.03 -0.00 -0.04 7.74 7.58 1fv9A1 ASP 96 H -0.01 0.17 -0.19 -0.55 8.40 7.83 1fv9A1 ASP 96 HA 0.25 0.11 0.58 -0.75 4.63 4.82 1fv9A1 ASP 96 HB2 0.19 0.02 -0.22 -0.04 2.71 2.67 1fv9A1 ASP 96 HB3 0.07 0.02 0.13 -0.04 2.70 2.87 1fv9A1 ILE 97 H -0.26 0.44 0.13 -0.55 8.25 8.00 1fv9A1 ILE 97 HA -0.28 0.31 0.65 -0.75 4.18 4.11 1fv9A1 ILE 97 HB -0.94 0.02 -0.10 -0.04 1.89 0.83 1fv9A1 ILE 97 HG12 -0.65 -0.02 -0.12 -0.04 1.49 0.66 1fv9A1 ILE 97 HG13 -0.44 -0.03 -0.36 -0.04 1.21 0.34 1fv9A1 ILE 97 HG23 -1.41 0.00 -0.08 -0.04 0.93 -0.61 1fv9A1 ILE 97 HD13 -0.14 0.02 0.06 -0.04 0.88 0.78 1fv9A1 ALA 98 H -0.06 0.97 0.23 -0.55 8.40 8.99 1fv9A1 ALA 98 HA 0.25 0.19 0.43 -0.75 4.34 4.45 1fv9A1 ALA 98 HB3 0.17 -0.03 -0.14 -0.04 1.41 1.37 1fv9A1 LEU 99 H 0.30 0.36 0.22 -0.55 8.37 8.71 1fv9A1 LEU 99 HA 0.18 0.38 1.05 -0.75 4.35 5.21 1fv9A1 LEU 99 HB2 0.02 -0.02 0.08 -0.04 1.64 1.68 1fv9A1 LEU 99 HB3 -0.24 0.05 0.02 -0.04 1.64 1.42 1fv9A1 LEU 99 HG 0.13 -0.08 -0.18 -0.04 1.64 1.47 1fv9A1 LEU 99 HD13 -0.48 0.03 -0.10 -0.04 0.93 0.35 1fv9A1 LEU 99 HD23 -0.63 0.02 -0.09 -0.04 0.89 0.14 1fv9A1 LEU 100 H 0.34 0.44 0.28 -0.55 8.37 8.89 1fv9A1 LEU 100 HA 0.13 0.36 1.22 -0.75 4.35 5.30 1fv9A1 LEU 100 HB2 0.02 -0.06 -0.02 -0.04 1.64 1.54 1fv9A1 LEU 100 HB3 -0.07 0.05 -0.23 -0.04 1.64 1.36 1fv9A1 LEU 100 HG -0.28 0.00 -0.24 -0.04 1.64 1.09 1fv9A1 LEU 100 HD13 0.02 -0.04 -0.39 -0.04 0.93 0.48 1fv9A1 LEU 100 HD23 -0.29 0.01 -0.23 -0.04 0.89 0.33 1fv9A1 LYS 101 H -0.14 0.69 0.30 -0.55 8.42 8.72 1fv9A1 LYS 101 HA -0.98 0.41 0.71 -0.75 4.32 3.71 1fv9A1 LYS 101 HB2 -1.08 0.01 0.13 -0.04 1.87 0.88 1fv9A1 LYS 101 HB3 -0.37 -0.33 0.31 -0.04 1.79 1.35 1fv9A1 LYS 101 HG2 -0.40 -0.05 -0.03 -0.04 1.46 0.95 1fv9A1 LYS 101 HG3 -0.82 0.20 0.14 -0.04 1.46 0.93 1fv9A1 LYS 101 HD2 -1.04 -0.00 0.00 -0.04 1.69 0.60 1fv9A1 LYS 101 HD3 -0.33 -0.03 -0.03 -0.04 1.68 1.24 1fv9A1 LYS 101 HE2 -0.44 0.03 0.04 -0.04 2.99 2.57 1fv9A1 LYS 101 HE3 -0.72 -0.00 0.01 -0.04 2.99 2.24 1fv9A1 ILE 102 H -0.29 0.27 0.18 -0.55 8.25 7.86 1fv9A1 ILE 102 HA -0.04 0.32 0.80 -0.75 4.18 4.51 1fv9A1 ILE 102 HB 0.08 -0.15 -0.01 -0.04 1.89 1.76 1fv9A1 ILE 102 HG12 -0.26 0.04 -0.13 -0.04 1.49 1.11 1fv9A1 ILE 102 HG13 -0.23 -0.02 -0.15 -0.04 1.21 0.77 1fv9A1 ILE 102 HG23 -0.24 0.04 -0.18 -0.04 0.93 0.51 1fv9A1 ILE 102 HD13 -0.63 -0.00 -0.22 -0.04 0.88 -0.01 1fv9A1 ARG 103 H 0.49 0.19 -0.08 -0.55 8.46 8.51 1fv9A1 ARG 103 HA 0.05 0.05 0.28 -0.75 4.34 3.97 1fv9A1 ARG 103 HB2 -0.05 0.13 -0.53 -0.04 1.90 1.40 1fv9A1 ARG 103 HB3 -0.01 -0.09 -0.29 -0.04 1.80 1.36 1fv9A1 ARG 103 HG2 -0.04 -0.02 -0.24 -0.04 1.67 1.33 1fv9A1 ARG 103 HG3 -0.04 -0.02 -0.28 -0.04 1.67 1.29 1fv9A1 ARG 103 HD2 -0.06 -0.02 -0.12 -0.04 3.22 2.98 1fv9A1 ARG 103 HD3 -0.04 -0.03 -0.05 -0.04 3.22 3.05 1fv9A1 SER 104 H 0.01 0.76 0.22 -0.55 8.46 8.90 1fv9A1 SER 104 HA -0.53 0.20 0.54 -0.75 4.49 3.95 1fv9A1 SER 104 HB2 -0.41 0.06 0.18 -0.04 3.95 3.74 1fv9A1 SER 104 HB3 -0.24 0.22 0.18 -0.04 3.93 4.06 1fv9A1 LYS 105 H -0.20 0.18 0.18 -0.55 8.42 8.02 1fv9A1 LYS 105 HA -0.09 0.10 0.04 -0.75 4.32 3.61 1fv9A1 LYS 105 HB2 -0.11 -0.04 0.15 -0.04 1.87 1.84 1fv9A1 LYS 105 HB3 -0.07 0.04 0.07 -0.04 1.79 1.78 1fv9A1 LYS 105 HG2 -0.08 0.04 0.05 -0.04 1.46 1.43 1fv9A1 LYS 105 HG3 -0.11 -0.01 0.05 -0.04 1.46 1.35 1fv9A1 LYS 105 HD2 -0.07 -0.02 0.02 -0.04 1.69 1.59 1fv9A1 LYS 105 HD3 -0.06 0.01 0.03 -0.04 1.68 1.62 1fv9A1 LYS 105 HE2 -0.05 0.02 0.00 -0.04 2.99 2.92 1fv9A1 LYS 105 HE3 -0.06 0.01 -0.01 -0.04 2.99 2.89 1fv9A1 GLU 106 H -0.10 -0.09 -0.92 -0.55 8.60 6.95 1fv9A1 GLU 106 HA -0.05 0.11 0.54 -0.75 4.29 4.14 1fv9A1 GLU 106 HB2 -0.07 -0.04 -0.02 -0.04 2.09 1.91 1fv9A1 GLU 106 HB3 -0.04 0.02 0.09 -0.04 1.99 2.02 1fv9A1 GLU 106 HG2 -0.04 0.02 0.01 -0.04 2.34 2.28 1fv9A1 GLU 106 HG3 -0.05 0.04 -0.08 -0.04 2.34 2.21 1fv9A1 GLY 107 H -0.05 0.75 -0.06 -0.55 8.43 8.51 1fv9A1 GLY 107 HA2 -0.04 0.01 0.24 -0.51 4.01 3.71 1fv9A1 GLY 107 HA3 -0.03 0.13 0.61 -0.51 4.01 4.21 1fv9A1 ARG 108 H -0.03 0.05 -0.10 -0.55 8.46 7.83 1fv9A1 ARG 108 HA -0.01 0.21 0.88 -0.75 4.34 4.66 1fv9A1 ARG 108 HB2 0.02 0.14 -0.05 -0.04 1.90 1.97 1fv9A1 ARG 108 HB3 -0.00 0.03 -0.11 -0.04 1.80 1.67 1fv9A1 ARG 108 HG2 -0.02 0.13 -0.21 -0.04 1.67 1.53 1fv9A1 ARG 108 HG3 -0.03 -0.17 0.00 -0.04 1.67 1.44 1fv9A1 ARG 108 HD2 -0.02 -0.05 -0.03 -0.04 3.22 3.08 1fv9A1 ARG 108 HD3 0.00 0.06 -0.05 -0.04 3.22 3.19 1fv9A1 CYS 109 H -0.00 0.10 0.12 -0.55 8.50 8.17 1fv9A1 CYS 109 HA 0.05 0.11 0.35 -0.75 4.58 4.33 1fv9A1 CYS 109 HB2 0.01 -0.02 -0.13 -0.04 2.97 2.79 1fv9A1 CYS 109 HB3 -0.03 -0.17 -1.27 -0.04 2.97 1.46 1fv9A1 ALA 110 H 0.01 0.63 0.22 -0.55 8.40 8.71 1fv9A1 ALA 110 HA 0.19 0.45 1.33 -0.75 4.34 5.55 1fv9A1 ALA 110 HB3 0.19 -0.02 -0.06 -0.04 1.41 1.48 1fv9A1 GLN 111 H 0.13 0.14 0.10 -0.55 8.47 8.29 1fv9A1 GLN 111 HA 0.06 0.19 0.16 -0.75 4.36 4.01 1fv9A1 GLN 111 HB2 0.06 -0.04 0.10 -0.04 2.15 2.23 1fv9A1 GLN 111 HB3 0.04 0.04 -0.01 -0.04 2.02 2.05 1fv9A1 GLN 111 HG2 0.06 -0.02 0.07 -0.04 2.40 2.47 1fv9A1 GLN 111 HG3 0.03 -0.00 -0.00 -0.04 2.39 2.38 1fv9A1 GLN 111 HE21 0.03 0.02 -0.14 -0.04 6.97 6.84 1fv9A1 GLN 111 HE22 0.03 -0.02 -0.08 -0.04 7.69 7.58 1fv9A1 PRO 112 HA 0.07 0.28 0.42 -0.51 4.44 4.70 1fv9A1 PRO 112 HB2 0.05 -0.02 0.30 -0.04 2.28 2.57 1fv9A1 PRO 112 HB3 0.06 0.01 0.18 -0.04 2.02 2.23 1fv9A1 PRO 112 HG2 0.04 -0.03 0.14 -0.04 2.03 2.14 1fv9A1 PRO 112 HG3 0.05 0.06 0.13 -0.04 2.03 2.23 1fv9A1 PRO 112 HD2 0.04 0.04 0.17 -0.04 3.68 3.89 1fv9A1 PRO 112 HD3 0.05 0.22 0.36 -0.04 3.65 4.24 1fv9A1 SER 113 H 0.06 0.18 0.35 -0.55 8.46 8.51 1fv9A1 SER 113 HA 0.04 0.13 0.25 -0.75 4.49 4.16 1fv9A1 SER 113 HB2 0.04 -0.02 0.21 -0.04 3.95 4.14 1fv9A1 SER 113 HB3 0.06 0.23 0.14 -0.04 3.93 4.32 1fv9A1 ARG 114 H 0.04 0.01 0.22 -0.55 8.46 8.18 1fv9A1 ARG 114 HA 0.03 0.15 0.55 -0.75 4.34 4.31 1fv9A1 ARG 114 HB2 0.03 0.03 0.09 -0.04 1.90 2.00 1fv9A1 ARG 114 HB3 0.03 -0.04 0.15 -0.04 1.80 1.90 1fv9A1 ARG 114 HG2 0.02 -0.01 -0.11 -0.04 1.67 1.52 1fv9A1 ARG 114 HG3 0.02 0.03 0.06 -0.04 1.67 1.74 1fv9A1 ARG 114 HD2 0.02 0.01 0.01 -0.04 3.22 3.21 1fv9A1 ARG 114 HD3 0.02 -0.00 0.02 -0.04 3.22 3.22 1fv9A1 THR 115 H 0.04 0.01 0.15 -0.55 8.28 7.93 1fv9A1 THR 115 HA 0.01 0.22 0.75 -0.75 4.39 4.63 1fv9A1 THR 115 HB 0.05 0.02 0.15 -0.04 4.32 4.50 1fv9A1 THR 115 HG23 0.02 -0.01 -0.07 -0.04 1.22 1.11 1fv9A1 ILE 116 H 0.06 0.12 -0.71 -0.55 8.25 7.17 1fv9A1 ILE 116 HA 0.08 0.36 0.88 -0.75 4.18 4.75 1fv9A1 ILE 116 HB 0.08 -0.38 0.15 -0.04 1.89 1.69 1fv9A1 ILE 116 HG12 0.10 0.07 -0.32 -0.04 1.49 1.30 1fv9A1 ILE 116 HG13 0.08 -0.24 -0.67 -0.04 1.21 0.33 1fv9A1 ILE 116 HG23 0.08 0.00 -0.20 -0.04 0.93 0.77 1fv9A1 ILE 116 HD13 0.12 0.02 -0.10 -0.04 0.88 0.89 1fv9A1 GLN 117 H 0.14 0.42 0.04 -0.55 8.47 8.52 1fv9A1 GLN 117 HA 0.12 0.15 1.05 -0.75 4.36 4.93 1fv9A1 GLN 117 HB2 0.21 -0.10 -0.07 -0.04 2.15 2.15 1fv9A1 GLN 117 HB3 0.27 0.35 -0.12 -0.04 2.02 2.48 1fv9A1 GLN 117 HG2 0.14 -0.04 -0.03 -0.04 2.40 2.42 1fv9A1 GLN 117 HG3 0.11 -0.03 0.03 -0.04 2.39 2.47 1fv9A1 GLN 117 HE21 0.06 0.61 -0.11 -0.04 6.97 7.49 1fv9A1 GLN 117 HE22 0.07 -0.10 -0.03 -0.04 7.69 7.59 1fv9A1 THR 118 H 0.11 0.06 0.03 -0.55 8.28 7.93 1fv9A1 THR 118 HA 0.12 0.36 0.54 -0.75 4.39 4.66 1fv9A1 THR 118 HB 0.03 0.13 -0.08 -0.04 4.32 4.36 1fv9A1 THR 118 HG23 0.07 -0.06 -0.37 -0.04 1.22 0.81 1fv9A1 ILE 119 H -0.07 0.51 0.22 -0.55 8.25 8.36 1fv9A1 ILE 119 HA -0.26 0.09 0.57 -0.75 4.18 3.83 1fv9A1 ILE 119 HB -0.64 -0.03 -0.25 -0.04 1.89 0.93 1fv9A1 ILE 119 HG12 -1.48 -0.06 -0.12 -0.04 1.49 -0.20 1fv9A1 ILE 119 HG13 -0.45 0.04 -0.18 -0.04 1.21 0.58 1fv9A1 ILE 119 HG23 -1.56 0.01 -0.15 -0.04 0.93 -0.81 1fv9A1 ILE 119 HD13 -0.16 -0.01 -0.06 -0.04 0.88 0.60 1fv9A1 ALA 120 H -0.17 0.18 0.07 -0.55 8.40 7.94 1fv9A1 ALA 120 HA -0.07 0.08 0.37 -0.75 4.34 3.97 1fv9A1 ALA 120 HB3 -0.07 0.05 0.11 -0.04 1.41 1.45 1fv9A1 LEU 121 H -0.05 0.09 0.18 -0.55 8.37 8.04 1fv9A1 LEU 121 HA -0.06 0.08 0.51 -0.75 4.35 4.13 1fv9A1 LEU 121 HB2 -0.04 -0.06 0.15 -0.04 1.64 1.65 1fv9A1 LEU 121 HB3 -0.03 0.19 0.00 -0.04 1.64 1.76 1fv9A1 LEU 121 HG -0.02 -0.02 -0.01 -0.04 1.64 1.55 1fv9A1 LEU 121 HD13 -0.03 0.00 -0.00 -0.04 0.93 0.86 1fv9A1 LEU 121 HD23 -0.04 0.00 0.01 -0.04 0.89 0.82 1fv9A1 PRO 122 HA -0.04 0.04 0.62 -0.51 4.44 4.54 1fv9A1 PRO 122 HB2 -0.03 0.22 -0.01 -0.04 2.28 2.42 1fv9A1 PRO 122 HB3 -0.03 -0.02 0.02 -0.04 2.02 1.96 1fv9A1 PRO 122 HG2 -0.02 -0.00 -0.23 -0.04 2.03 1.74 1fv9A1 PRO 122 HG3 0.00 -0.14 -0.10 -0.04 2.03 1.75 1fv9A1 PRO 122 HD2 -0.03 0.02 0.15 -0.04 3.68 3.78 1fv9A1 PRO 122 HD3 -0.04 0.32 -0.03 -0.04 3.65 3.86 1fv9A1 SER 123 H -0.04 0.13 0.12 -0.55 8.46 8.12 1fv9A1 SER 123 HA -0.07 0.15 0.54 -0.75 4.49 4.36 1fv9A1 SER 123 HB2 -0.03 0.10 0.05 -0.04 3.95 4.04 1fv9A1 SER 123 HB3 -0.04 -0.04 0.11 -0.04 3.93 3.92 1fv9A1 MET 124 H -0.22 0.08 0.11 -0.55 8.47 7.89 1fv9A1 MET 124 HA -0.29 0.10 0.52 -0.75 4.52 4.09 1fv9A1 MET 124 HB2 -0.69 -0.01 0.07 -0.04 2.15 1.48 1fv9A1 MET 124 HB3 -1.20 -0.00 -0.02 -0.04 2.03 0.77 1fv9A1 MET 124 HG2 -0.22 0.01 0.01 -0.04 2.63 2.39 1fv9A1 MET 124 HG3 -0.28 0.00 0.01 -0.04 2.56 2.25 1fv9A1 MET 124 HE3 -0.10 -0.01 -0.01 -0.04 2.10 1.94 1fv9A1 TYR 125 H -0.31 0.12 0.07 -0.55 8.29 7.62 1fv9A1 TYR 125 HA -0.08 -0.02 0.28 -0.75 4.56 3.99 1fv9A1 TYR 125 HB2 -0.04 0.02 0.19 -0.04 3.06 3.18 1fv9A1 TYR 125 HB3 -0.08 -0.01 0.10 -0.04 2.98 2.95 1fv9A1 TYR 125 HD2 -0.05 0.09 -0.09 -0.04 7.15 7.06 1fv9A1 TYR 125 HE2 -0.03 0.01 -0.07 -0.04 6.85 6.72 1fv9A1 ASN 126 H 0.01 0.13 -0.49 -0.55 8.53 7.63 1fv9A1 ASN 126 HA 0.05 0.02 0.36 -0.75 4.76 4.44 1fv9A1 ASN 126 HB2 0.07 0.21 -0.22 -0.04 2.88 2.89 1fv9A1 ASN 126 HB3 0.01 -0.09 0.05 -0.04 2.79 2.73 1fv9A1 ASN 126 HD21 0.05 -0.08 0.02 -0.04 7.03 6.99 1fv9A1 ASN 126 HD22 0.16 0.20 0.01 -0.04 7.74 8.06 1fv9A1 ASP 127 H 0.02 0.28 0.03 -0.55 8.40 8.19 1fv9A1 ASP 127 HA -0.00 0.15 0.76 -0.75 4.63 4.78 1fv9A1 ASP 127 HB2 0.03 -0.08 0.04 -0.04 2.71 2.66 1fv9A1 ASP 127 HB3 0.02 0.16 -0.05 -0.04 2.70 2.78 1fv9A1 PRO 128 HA -0.04 0.02 0.32 -0.51 4.44 4.23 1fv9A1 PRO 128 HB2 -0.04 0.06 0.06 -0.04 2.28 2.32 1fv9A1 PRO 128 HB3 -0.03 0.09 0.10 -0.04 2.02 2.13 1fv9A1 PRO 128 HG2 -0.03 0.02 0.01 -0.04 2.03 1.99 1fv9A1 PRO 128 HG3 -0.03 0.02 -0.03 -0.04 2.03 1.95 1fv9A1 PRO 128 HD2 -0.02 0.09 0.21 -0.04 3.68 3.92 1fv9A1 PRO 128 HD3 -0.02 0.16 0.06 -0.04 3.65 3.81 1fv9A1 GLN 129 H -0.10 0.09 0.17 -0.55 8.47 8.08 1fv9A1 GLN 129 HA -0.12 0.07 0.50 -0.75 4.36 4.06 1fv9A1 GLN 129 HB2 -0.45 -0.05 0.10 -0.04 2.15 1.71 1fv9A1 GLN 129 HB3 -0.20 -0.01 0.12 -0.04 2.02 1.89 1fv9A1 GLN 129 HG2 -0.24 0.00 -0.25 -0.04 2.40 1.87 1fv9A1 GLN 129 HG3 -0.67 0.05 -0.14 -0.04 2.39 1.59 1fv9A1 GLN 129 HE21 -0.09 -0.02 -0.01 -0.04 6.97 6.81 1fv9A1 GLN 129 HE22 -0.12 0.06 -0.04 -0.04 7.69 7.54 1fv9A1 PHE 130 H -0.25 0.04 0.11 -0.55 8.34 7.69 1fv9A1 PHE 130 HA 0.01 0.10 0.03 -0.75 4.62 4.00 1fv9A1 PHE 130 HB2 0.01 0.08 0.12 -0.04 3.15 3.33 1fv9A1 PHE 130 HB3 0.02 -0.09 0.02 -0.04 3.06 2.98 1fv9A1 PHE 130 HD2 0.01 0.02 -0.14 -0.04 7.28 7.12 1fv9A1 PHE 130 HE2 0.01 0.02 -0.01 -0.04 7.38 7.36 1fv9A1 PHE 130 HZ 0.00 0.02 0.00 -0.04 7.32 7.31 1fv9A1 GLY 131 H 0.17 0.47 0.29 -0.55 8.43 8.81 1fv9A1 GLY 131 HA2 0.11 -0.03 0.36 -0.51 4.01 3.94 1fv9A1 GLY 131 HA3 0.17 0.11 0.44 -0.51 4.01 4.23 1fv9A1 THR 132 H 0.01 0.38 -0.26 -0.55 8.28 7.87 1fv9A1 THR 132 HA -0.01 0.07 0.67 -0.75 4.39 4.37 1fv9A1 THR 132 HB -0.02 -0.06 -0.05 -0.04 4.32 4.15 1fv9A1 THR 132 HG23 -0.02 0.05 -0.04 -0.04 1.22 1.16 1fv9A1 SER 133 H -0.01 0.14 0.19 -0.55 8.46 8.24 1fv9A1 SER 133 HA -0.01 0.09 0.63 -0.75 4.49 4.44 1fv9A1 SER 133 HB2 -0.01 -0.01 0.17 -0.04 3.95 4.05 1fv9A1 SER 133 HB3 -0.01 0.02 0.03 -0.04 3.93 3.93 1fv9A1 CYS 134 H -0.05 0.65 0.22 -0.55 8.50 8.77 1fv9A1 CYS 134 HA -0.02 0.23 0.50 -0.75 4.58 4.54 1fv9A1 CYS 134 HB2 -0.10 0.02 -0.06 -0.04 2.97 2.78 1fv9A1 CYS 134 HB3 -0.06 -0.09 -0.18 -0.04 2.97 2.60 1fv9A1 GLU 135 H -0.02 0.13 0.16 -0.55 8.60 8.33 1fv9A1 GLU 135 HA -0.03 0.10 1.07 -0.75 4.29 4.68 1fv9A1 GLU 135 HB2 -0.00 0.19 0.16 -0.04 2.09 2.40 1fv9A1 GLU 135 HB3 0.01 -0.06 -0.16 -0.04 1.99 1.74 1fv9A1 GLU 135 HG2 0.10 0.00 0.08 -0.04 2.34 2.48 1fv9A1 GLU 135 HG3 0.09 0.01 -0.32 -0.04 2.34 2.07 1fv9A1 ILE 136 H -0.02 0.43 0.28 -0.55 8.25 8.39 1fv9A1 ILE 136 HA 0.03 0.61 1.30 -0.75 4.18 5.36 1fv9A1 ILE 136 HB 0.04 0.07 -0.08 -0.04 1.89 1.88 1fv9A1 ILE 136 HG12 -0.02 -0.06 -0.19 -0.04 1.49 1.18 1fv9A1 ILE 136 HG13 -0.02 -0.04 -0.12 -0.04 1.21 0.99 1fv9A1 ILE 136 HG23 0.03 0.00 -0.29 -0.04 0.93 0.62 1fv9A1 ILE 136 HD13 0.06 -0.01 -0.31 -0.04 0.88 0.58 1fv9A1 THR 137 H -0.02 0.33 0.29 -0.55 8.28 8.33 1fv9A1 THR 137 HA -0.23 0.41 1.07 -0.75 4.39 4.89 1fv9A1 THR 137 HB -0.54 -0.06 0.13 -0.04 4.32 3.81 1fv9A1 THR 137 HG23 -0.48 -0.01 0.06 -0.04 1.22 0.76 1fv9A1 GLY 138 H -0.37 0.75 0.38 -0.55 8.43 8.64 1fv9A1 GLY 138 HA2 -0.35 0.02 0.17 -0.51 4.01 3.34 1fv9A1 GLY 138 HA3 -0.07 0.05 0.60 -0.51 4.01 4.09 1fv9A1 PHE 139 H 0.13 0.27 -0.05 -0.55 8.34 8.14 1fv9A1 PHE 139 HA -0.04 0.15 0.59 -0.75 4.62 4.57 1fv9A1 PHE 139 HB2 -0.29 -0.02 0.01 -0.04 3.15 2.81 1fv9A1 PHE 139 HB3 -0.18 0.07 0.12 -0.04 3.06 3.03 1fv9A1 PHE 139 HD2 0.08 0.18 -0.19 -0.04 7.28 7.30 1fv9A1 PHE 139 HE2 0.17 0.01 -0.36 -0.04 7.38 7.15 1fv9A1 PHE 139 HZ 0.11 -0.09 -0.60 -0.04 7.32 6.69 1fv9A1 GLY 140 H -0.05 0.05 -0.36 -0.55 8.43 7.52 1fv9A1 GLY 140 HA2 -0.40 0.30 0.63 -0.51 4.01 4.03 1fv9A1 GLY 140 HA3 -0.13 -0.13 0.04 -0.51 4.01 3.29 1fv9A1 LYS 141 H -0.36 0.23 0.04 -0.55 8.42 7.77 1fv9A1 LYS 141 HA -0.05 0.02 0.28 -0.75 4.32 3.82 1fv9A1 LYS 141 HB2 -0.05 -0.19 -0.02 -0.04 1.87 1.58 1fv9A1 LYS 141 HB3 0.00 0.02 -0.14 -0.04 1.79 1.63 1fv9A1 LYS 141 HG2 0.09 -0.02 -0.24 -0.04 1.46 1.25 1fv9A1 LYS 141 HG3 0.04 -0.00 -0.17 -0.04 1.46 1.29 1fv9A1 LYS 141 HD2 0.06 -0.22 -0.04 -0.04 1.69 1.45 1fv9A1 LYS 141 HD3 0.07 0.08 -0.04 -0.04 1.68 1.76 1fv9A1 LYS 141 HE2 0.18 0.27 -0.05 -0.04 2.99 3.34 1fv9A1 LYS 141 HE3 0.27 -0.09 -0.10 -0.04 2.99 3.03 1fv9A1 GLU 142 H 0.00 0.02 0.19 -0.55 8.60 8.27 1fv9A1 GLU 142 HA -0.03 0.72 0.73 -0.75 4.29 4.96 1fv9A1 GLU 142 HB2 0.01 -0.15 0.12 -0.04 2.09 2.03 1fv9A1 GLU 142 HB3 -0.02 -0.05 -0.03 -0.04 1.99 1.85 1fv9A1 GLU 142 HG2 -0.03 0.23 0.10 -0.04 2.34 2.60 1fv9A1 GLU 142 HG3 0.06 0.01 0.06 -0.04 2.34 2.43 1fv9A1 ASN 143 H 0.01 0.18 0.06 -0.55 8.53 8.23 1fv9A1 ASN 143 HA 0.00 0.20 0.59 -0.75 4.76 4.81 1fv9A1 ASN 143 HB2 0.01 -0.10 0.04 -0.04 2.88 2.79 1fv9A1 ASN 143 HB3 0.01 -0.10 -0.03 -0.04 2.79 2.63 1fv9A1 ASN 143 HD21 -0.02 0.01 -0.01 -0.04 7.03 6.96 1fv9A1 ASN 143 HD22 -0.01 0.13 0.10 -0.04 7.74 7.92 1fv9A1 SER 144 H 0.03 0.24 0.10 -0.55 8.46 8.29 1fv9A1 SER 144 HA 0.05 0.07 0.08 -0.75 4.49 3.94 1fv9A1 SER 144 HB2 0.05 0.04 -0.04 -0.04 3.95 3.96 1fv9A1 SER 144 HB3 0.06 -0.03 0.09 -0.04 3.93 4.00 1fv9A1 THR 145 H 0.04 -0.01 -0.36 -0.55 8.28 7.40 1fv9A1 THR 145 HA 0.07 0.09 0.34 -0.75 4.39 4.14 1fv9A1 THR 145 HB 0.05 0.02 0.00 -0.04 4.32 4.35 1fv9A1 THR 145 HG23 0.04 -0.00 0.00 -0.04 1.22 1.22 1fv9A1 ASP 146 H 0.05 0.14 -0.29 -0.55 8.40 7.75 1fv9A1 ASP 146 HA 0.03 -0.03 0.46 -0.75 4.63 4.34 1fv9A1 ASP 146 HB2 0.03 0.37 0.22 -0.04 2.71 3.29 1fv9A1 ASP 146 HB3 0.00 0.08 0.06 -0.04 2.70 2.80 1fv9A1 TYR 147 H -0.26 0.00 0.19 -0.55 8.29 7.68 1fv9A1 TYR 147 HA 0.11 0.22 0.69 -0.75 4.56 4.82 1fv9A1 TYR 147 HB2 0.05 -0.00 0.15 -0.04 3.06 3.22 1fv9A1 TYR 147 HB3 0.05 0.08 0.00 -0.04 2.98 3.08 1fv9A1 TYR 147 HD2 0.03 0.05 -0.06 -0.04 7.15 7.13 1fv9A1 TYR 147 HE2 0.02 -0.01 -0.02 -0.04 6.85 6.80 1fv9A1 LEU 148 H -0.36 -0.01 0.14 -0.55 8.37 7.59 1fv9A1 LEU 148 HA -0.05 0.14 0.75 -0.75 4.35 4.44 1fv9A1 LEU 148 HB2 -0.17 -0.05 0.00 -0.04 1.64 1.38 1fv9A1 LEU 148 HB3 -0.09 0.11 -0.06 -0.04 1.64 1.56 1fv9A1 LEU 148 HG -1.05 -0.13 -0.04 -0.04 1.64 0.38 1fv9A1 LEU 148 HD13 -0.15 0.00 -0.02 -0.04 0.93 0.72 1fv9A1 LEU 148 HD23 -0.03 0.06 -0.05 -0.04 0.89 0.82 1fv9A1 TYR 149 H 0.12 0.14 0.06 -0.55 8.29 8.05 1fv9A1 TYR 149 HA 0.01 0.07 0.26 -0.75 4.56 4.14 1fv9A1 TYR 149 HB2 -0.06 -0.13 0.04 -0.04 3.06 2.88 1fv9A1 TYR 149 HB3 -0.04 0.34 -0.06 -0.04 2.98 3.18 1fv9A1 TYR 149 HD2 -0.06 -0.10 -0.17 -0.04 7.15 6.78 1fv9A1 TYR 149 HE2 0.21 -0.00 -0.04 -0.04 6.85 6.98 1fv9A1 PRO 150 HA 0.08 -0.08 0.21 -0.51 4.44 4.13 1fv9A1 PRO 150 HB2 0.26 -0.03 -0.09 -0.04 2.28 2.38 1fv9A1 PRO 150 HB3 0.18 0.00 0.07 -0.04 2.02 2.23 1fv9A1 PRO 150 HG2 0.24 -0.06 -0.02 -0.04 2.03 2.15 1fv9A1 PRO 150 HG3 0.14 0.22 -0.06 -0.04 2.03 2.29 1fv9A1 PRO 150 HD2 0.06 0.22 -0.36 -0.04 3.68 3.56 1fv9A1 PRO 150 HD3 0.05 0.10 -0.06 -0.04 3.65 3.70 1fv9A1 GLU 151 H 0.00 0.05 0.15 -0.55 8.60 8.25 1fv9A1 GLU 151 HA -0.07 0.19 0.36 -0.75 4.29 4.02 1fv9A1 GLU 151 HB2 -0.05 0.05 0.04 -0.04 2.09 2.09 1fv9A1 GLU 151 HB3 -0.07 -0.01 0.11 -0.04 1.99 1.98 1fv9A1 GLU 151 HG2 -0.06 0.01 -0.02 -0.04 2.34 2.22 1fv9A1 GLU 151 HG3 -0.08 -0.02 -0.01 -0.04 2.34 2.18 1fv9A1 GLN 152 H -0.18 0.07 -0.06 -0.55 8.47 7.76 1fv9A1 GLN 152 HA -0.00 0.21 1.24 -0.75 4.36 5.06 1fv9A1 GLN 152 HB2 -0.44 -0.08 0.03 -0.04 2.15 1.62 1fv9A1 GLN 152 HB3 -1.23 0.01 0.06 -0.04 2.02 0.82 1fv9A1 GLN 152 HG2 -0.18 0.16 0.12 -0.04 2.40 2.47 1fv9A1 GLN 152 HG3 -0.07 -0.09 0.33 -0.04 2.39 2.51 1fv9A1 GLN 152 HE21 -0.05 -0.11 -0.03 -0.04 6.97 6.75 1fv9A1 GLN 152 HE22 -0.03 0.41 0.04 -0.04 7.69 8.07 1fv9A1 LEU 153 H 0.07 0.22 0.27 -0.55 8.37 8.38 1fv9A1 LEU 153 HA -0.27 0.14 0.42 -0.75 4.35 3.88 1fv9A1 LEU 153 HB2 -0.34 0.00 -0.04 -0.04 1.64 1.21 1fv9A1 LEU 153 HB3 -0.13 -0.04 0.04 -0.04 1.64 1.47 1fv9A1 LEU 153 HG -0.50 0.17 -0.04 -0.04 1.64 1.22 1fv9A1 LEU 153 HD13 -1.24 -0.01 -0.15 -0.04 0.93 -0.52 1fv9A1 LEU 153 HD23 -0.24 -0.04 -0.20 -0.04 0.89 0.37 1fv9A1 LYS 154 H -0.27 0.52 0.37 -0.55 8.42 8.48 1fv9A1 LYS 154 HA 0.05 0.20 1.14 -0.75 4.32 4.95 1fv9A1 LYS 154 HB2 -0.04 0.06 0.12 -0.04 1.87 1.98 1fv9A1 LYS 154 HB3 -0.09 -0.03 -0.02 -0.04 1.79 1.61 1fv9A1 LYS 154 HG2 -0.13 0.00 -0.08 -0.04 1.46 1.21 1fv9A1 LYS 154 HG3 0.40 -0.02 -0.32 -0.04 1.46 1.48 1fv9A1 LYS 154 HD2 0.09 -0.14 -0.05 -0.04 1.69 1.55 1fv9A1 LYS 154 HD3 -0.01 0.19 -0.03 -0.04 1.68 1.78 1fv9A1 LYS 154 HE2 -0.21 -0.04 -0.20 -0.04 2.99 2.49 1fv9A1 LYS 154 HE3 -0.65 -0.11 -0.10 -0.04 2.99 2.09 1fv9A1 MET 155 H -0.08 0.74 0.33 -0.55 8.47 8.91 1fv9A1 MET 155 HA -0.12 0.43 1.01 -0.75 4.52 5.08 1fv9A1 MET 155 HB2 -0.08 0.03 0.05 -0.04 2.15 2.12 1fv9A1 MET 155 HB3 -0.13 -0.04 -0.10 -0.04 2.03 1.73 1fv9A1 MET 155 HG2 -0.06 -0.05 -0.16 -0.04 2.63 2.32 1fv9A1 MET 155 HG3 -0.06 0.09 -0.06 -0.04 2.56 2.49 1fv9A1 MET 155 HE3 -0.04 0.03 -0.14 -0.04 2.10 1.92 1fv9A1 THR 156 H -0.05 0.50 0.36 -0.55 8.28 8.55 1fv9A1 THR 156 HA -0.05 0.10 0.48 -0.75 4.39 4.17 1fv9A1 THR 156 HB -0.05 0.11 -0.31 -0.04 4.32 4.02 1fv9A1 THR 156 HG23 -0.02 -0.00 -0.20 -0.04 1.22 0.96 1fv9A1 VAL 157 H -0.03 0.24 0.25 -0.55 8.24 8.16 1fv9A1 VAL 157 HA -0.03 0.29 1.08 -0.75 4.13 4.72 1fv9A1 VAL 157 HB -0.02 -0.08 0.03 -0.04 2.12 2.01 1fv9A1 VAL 157 HG13 -0.01 0.01 -0.15 -0.04 0.97 0.78 1fv9A1 VAL 157 HG23 -0.01 0.05 -0.15 -0.04 0.95 0.81 1fv9A1 VAL 158 H -0.04 0.59 0.19 -0.55 8.24 8.44 1fv9A1 VAL 158 HA -0.02 0.07 0.71 -0.75 4.13 4.14 1fv9A1 VAL 158 HB -0.04 -0.06 -0.52 -0.04 2.12 1.46 1fv9A1 VAL 158 HG13 -0.13 0.02 -0.34 -0.04 0.97 0.47 1fv9A1 VAL 158 HG23 -0.00 -0.01 -0.21 -0.04 0.95 0.69 1fv9A1 LYS 159 H -0.01 0.13 -0.11 -0.55 8.42 7.87 1fv9A1 LYS 159 HA -0.01 0.38 0.75 -0.75 4.32 4.69 1fv9A1 LYS 159 HB2 0.01 0.08 0.09 -0.04 1.87 2.00 1fv9A1 LYS 159 HB3 0.03 -0.03 -0.14 -0.04 1.79 1.60 1fv9A1 LYS 159 HG2 0.01 -0.02 -0.15 -0.04 1.46 1.25 1fv9A1 LYS 159 HG3 0.01 -0.02 0.01 -0.04 1.46 1.42 1fv9A1 LYS 159 HD2 0.04 -0.16 -0.05 -0.04 1.69 1.48 1fv9A1 LYS 159 HD3 0.02 0.16 -0.04 -0.04 1.68 1.78 1fv9A1 LYS 159 HE2 0.03 -0.04 0.03 -0.04 2.99 2.97 1fv9A1 LYS 159 HE3 0.05 -0.01 0.05 -0.04 2.99 3.03 1fv9A1 LEU 160 H 0.02 0.25 0.15 -0.55 8.37 8.25 1fv9A1 LEU 160 HA -0.00 0.09 0.34 -0.75 4.35 4.02 1fv9A1 LEU 160 HB2 -0.00 0.17 0.05 -0.04 1.64 1.82 1fv9A1 LEU 160 HB3 0.05 -0.16 -0.11 -0.04 1.64 1.38 1fv9A1 LEU 160 HG 0.02 0.14 -0.09 -0.04 1.64 1.66 1fv9A1 LEU 160 HD13 -0.08 -0.01 -0.17 -0.04 0.93 0.63 1fv9A1 LEU 160 HD23 -0.01 -0.01 -0.27 -0.04 0.89 0.56 1fv9A1 ILE 161 H 0.05 0.52 -0.02 -0.55 8.25 8.26 1fv9A1 ILE 161 HA 0.08 0.17 0.68 -0.75 4.18 4.36 1fv9A1 ILE 161 HB 0.05 -0.03 -0.21 -0.04 1.89 1.66 1fv9A1 ILE 161 HG12 0.07 0.04 -0.13 -0.04 1.49 1.43 1fv9A1 ILE 161 HG13 0.06 -0.03 -0.05 -0.04 1.21 1.15 1fv9A1 ILE 161 HG23 0.11 -0.04 -0.16 -0.04 0.93 0.80 1fv9A1 ILE 161 HD13 0.02 -0.01 -0.25 -0.04 0.88 0.59 1fv9A1 SER 162 H 0.06 0.13 0.19 -0.55 8.46 8.30 1fv9A1 SER 162 HA 0.17 0.17 0.71 -0.75 4.49 4.79 1fv9A1 SER 162 HB2 0.06 -0.05 0.06 -0.04 3.95 3.98 1fv9A1 SER 162 HB3 0.17 0.09 0.15 -0.04 3.93 4.29 1fv9A1 HIS 163 H 0.19 0.23 0.14 -0.55 8.41 8.42 1fv9A1 HIS 163 HA 0.05 0.09 0.25 -0.75 4.63 4.27 1fv9A1 HIS 163 HB2 0.04 0.14 0.08 -0.04 3.26 3.49 1fv9A1 HIS 163 HB3 0.04 -0.04 0.13 -0.04 3.20 3.29 1fv9A1 HIS 163 HD2 0.05 -0.02 -0.18 -0.04 6.97 6.78 1fv9A1 HIS 163 HE1 0.02 0.01 -0.09 -0.04 7.75 7.64 1fv9A1 ARG 164 H -0.00 0.08 -0.15 -0.55 8.46 7.84 1fv9A1 ARG 164 HA -0.23 0.14 0.23 -0.75 4.34 3.72 1fv9A1 ARG 164 HB2 -0.09 0.06 0.06 -0.04 1.90 1.89 1fv9A1 ARG 164 HB3 -0.05 -0.06 0.10 -0.04 1.80 1.75 1fv9A1 ARG 164 HG2 -0.09 -0.05 -0.10 -0.04 1.67 1.38 1fv9A1 ARG 164 HG3 -0.11 0.05 -0.27 -0.04 1.67 1.30 1fv9A1 ARG 164 HD2 -0.05 -0.01 -0.01 -0.04 3.22 3.11 1fv9A1 ARG 164 HD3 -0.07 0.01 -0.04 -0.04 3.22 3.08 1fv9A1 GLU 165 H -0.04 0.12 -0.31 -0.55 8.60 7.82 1fv9A1 GLU 165 HA -0.16 0.10 0.37 -0.75 4.29 3.85 1fv9A1 GLU 165 HB2 -0.09 -0.03 0.07 -0.04 2.09 2.00 1fv9A1 GLU 165 HB3 -0.00 0.04 0.12 -0.04 1.99 2.10 1fv9A1 GLU 165 HG2 0.24 0.04 -0.32 -0.04 2.34 2.27 1fv9A1 GLU 165 HG3 -0.08 0.01 0.05 -0.04 2.34 2.28 1fv9A1 CYS 166 H 0.05 0.38 -0.11 -0.55 8.50 8.27 1fv9A1 CYS 166 HA 0.51 0.10 0.72 -0.75 4.58 5.15 1fv9A1 CYS 166 HB2 0.15 -0.05 -0.03 -0.04 2.97 3.00 1fv9A1 CYS 166 HB3 0.17 0.04 -0.03 -0.04 2.97 3.10 1fv9A1 GLN 167 H -0.06 0.74 -0.10 -0.55 8.47 8.50 1fv9A1 GLN 167 HA 0.05 0.20 0.90 -0.75 4.36 4.76 1fv9A1 GLN 167 HB2 -0.24 0.02 0.04 -0.04 2.15 1.93 1fv9A1 GLN 167 HB3 -0.11 -0.11 0.06 -0.04 2.02 1.81 1fv9A1 GLN 167 HG2 0.08 0.35 0.09 -0.04 2.40 2.88 1fv9A1 GLN 167 HG3 -0.17 -0.08 -0.07 -0.04 2.39 2.03 1fv9A1 GLN 167 HE21 -0.13 -0.05 -0.07 -0.04 6.97 6.68 1fv9A1 GLN 167 HE22 -0.28 -0.00 -0.09 -0.04 7.69 7.28 1fv9A1 GLN 168 H -0.23 0.19 -0.74 -0.55 8.47 7.15 1fv9A1 GLN 168 HA -0.29 0.10 0.48 -0.75 4.36 3.89 1fv9A1 GLN 168 HB2 -1.21 0.05 0.21 -0.04 2.15 1.17 1fv9A1 GLN 168 HB3 -0.45 -0.20 0.08 -0.04 2.02 1.41 1fv9A1 GLN 168 HG2 -0.55 0.31 0.28 -0.04 2.40 2.40 1fv9A1 GLN 168 HG3 -0.80 -0.07 0.12 -0.04 2.39 1.61 1fv9A1 GLN 168 HE21 -0.14 -0.04 0.02 -0.04 6.97 6.78 1fv9A1 GLN 168 HE22 -0.20 0.06 0.03 -0.04 7.69 7.54 1fv9A1 PRO 169 HA -0.09 0.02 0.46 -0.51 4.44 4.32 1fv9A1 PRO 169 HB2 -0.18 0.04 0.02 -0.04 2.28 2.11 1fv9A1 PRO 169 HB3 -0.16 0.03 0.12 -0.04 2.02 1.97 1fv9A1 PRO 169 HG2 -0.97 0.03 -0.12 -0.04 2.03 0.92 1fv9A1 PRO 169 HG3 -0.35 0.04 0.04 -0.04 2.03 1.72 1fv9A1 PRO 169 HD2 -0.45 0.04 0.28 -0.04 3.68 3.50 1fv9A1 PRO 169 HD3 -0.24 0.25 0.26 -0.04 3.65 3.88 1fv9A1 HIS 170 H -0.40 -0.04 -0.56 -0.55 8.41 6.87 1fv9A1 HIS 170 HA -0.02 0.16 0.68 -0.75 4.63 4.71 1fv9A1 HIS 170 HB2 -0.09 -0.00 -0.01 -0.04 3.26 3.12 1fv9A1 HIS 170 HB3 -0.02 0.03 0.07 -0.04 3.20 3.23 1fv9A1 HIS 170 HD2 -0.04 0.05 -0.05 -0.04 6.97 6.89 1fv9A1 HIS 170 HE1 -0.10 -0.00 0.01 -0.04 7.75 7.62 1fv9A1 TYR 171 H 0.03 0.15 -0.28 -0.55 8.29 7.64 1fv9A1 TYR 171 HA -0.27 0.27 0.65 -0.75 4.56 4.47 1fv9A1 TYR 171 HB2 -0.11 0.05 0.29 -0.04 3.06 3.26 1fv9A1 TYR 171 HB3 -0.28 -0.01 0.31 -0.04 2.98 2.95 1fv9A1 TYR 171 HD2 -0.09 -0.11 -0.02 -0.04 7.15 6.88 1fv9A1 TYR 171 HE2 -0.08 -0.10 -0.06 -0.04 6.85 6.57 1fv9A1 TYR 172 H 0.16 0.47 0.27 -0.55 8.29 8.64 1fv9A1 TYR 172 HA 0.12 0.27 1.03 -0.75 4.56 5.23 1fv9A1 TYR 172 HB2 0.11 0.09 0.08 -0.04 3.06 3.30 1fv9A1 TYR 172 HB3 0.21 -0.15 0.08 -0.04 2.98 3.09 1fv9A1 TYR 172 HD2 0.04 -0.00 -0.01 -0.04 7.15 7.13 1fv9A1 TYR 172 HE2 -0.07 0.03 -0.06 -0.04 6.85 6.71 1fv9A1 GLY 173 H 0.08 0.28 -0.13 -0.55 8.43 8.10 1fv9A1 GLY 173 HA2 0.00 0.11 0.21 -0.51 4.01 3.81 1fv9A1 GLY 173 HA3 0.06 0.01 0.24 -0.51 4.01 3.81 1fv9A1 SER 174 H 0.05 0.10 0.16 -0.55 8.46 8.22 1fv9A1 SER 174 HA 0.09 0.10 0.53 -0.75 4.49 4.46 1fv9A1 SER 174 HB2 0.04 0.01 0.14 -0.04 3.95 4.09 1fv9A1 SER 174 HB3 0.05 -0.01 0.18 -0.04 3.93 4.11 1fv9A1 GLU 175 H 0.17 0.40 -0.52 -0.55 8.60 8.11 1fv9A1 GLU 175 HA 0.12 0.24 0.85 -0.75 4.29 4.74 1fv9A1 GLU 175 HB2 0.09 -0.10 -0.10 -0.04 2.09 1.94 1fv9A1 GLU 175 HB3 0.20 0.15 0.06 -0.04 1.99 2.36 1fv9A1 GLU 175 HG2 -0.05 -0.00 -0.03 -0.04 2.34 2.21 1fv9A1 GLU 175 HG3 -0.05 -0.06 -0.07 -0.04 2.34 2.12 1fv9A1 VAL 176 H 0.25 0.13 -0.08 -0.55 8.24 7.99 1fv9A1 VAL 176 HA 0.23 0.10 0.73 -0.75 4.13 4.43 1fv9A1 VAL 176 HB 0.11 0.05 0.01 -0.04 2.12 2.25 1fv9A1 VAL 176 HG13 0.06 -0.02 -0.10 -0.04 0.97 0.87 1fv9A1 VAL 176 HG23 0.32 -0.01 -0.21 -0.04 0.95 1.01 1fv9A1 THR 177 H 0.03 0.17 0.01 -0.55 8.28 7.94 1fv9A1 THR 177 HA -0.05 0.18 0.18 -0.75 4.39 3.95 1fv9A1 THR 177 HB 0.05 0.24 -0.13 -0.04 4.32 4.44 1fv9A1 THR 177 HG23 -0.02 -0.10 -0.14 -0.04 1.22 0.92 1fv9A1 THR 178 H -0.16 0.19 0.14 -0.55 8.28 7.91 1fv9A1 THR 178 HA -0.36 0.06 0.01 -0.75 4.39 3.35 1fv9A1 THR 178 HB -0.14 0.03 0.02 -0.04 4.32 4.20 1fv9A1 THR 178 HG23 -0.07 0.01 0.04 -0.04 1.22 1.16 1fv9A1 LYS 179 H -0.20 -0.01 -0.29 -0.55 8.42 7.36 1fv9A1 LYS 179 HA -0.49 0.16 0.63 -0.75 4.32 3.86 1fv9A1 LYS 179 HB2 -0.14 -0.01 0.11 -0.04 1.87 1.78 1fv9A1 LYS 179 HB3 -0.36 0.04 0.18 -0.04 1.79 1.61 1fv9A1 LYS 179 HG2 -0.37 0.08 0.04 -0.04 1.46 1.16 1fv9A1 LYS 179 HG3 -0.45 -0.09 -0.04 -0.04 1.46 0.84 1fv9A1 LYS 179 HD2 -0.12 0.02 0.03 -0.04 1.69 1.58 1fv9A1 LYS 179 HD3 -0.11 -0.05 0.00 -0.04 1.68 1.49 1fv9A1 LYS 179 HE2 -0.08 -0.05 0.03 -0.04 2.99 2.86 1fv9A1 LYS 179 HE3 -0.13 0.05 0.03 -0.04 2.99 2.89 1fv9A1 MET 180 H -0.10 0.73 -0.15 -0.55 8.47 8.40 1fv9A1 MET 180 HA 0.02 0.11 0.77 -0.75 4.52 4.66 1fv9A1 MET 180 HB2 0.02 -0.14 0.04 -0.04 2.15 2.03 1fv9A1 MET 180 HB3 0.02 0.02 -0.12 -0.04 2.03 1.90 1fv9A1 MET 180 HG2 0.11 0.06 -0.08 -0.04 2.63 2.68 1fv9A1 MET 180 HG3 0.05 -0.14 -0.28 -0.04 2.56 2.15 1fv9A1 MET 180 HE3 0.07 -0.03 -0.15 -0.04 2.10 1.94 1fv9A1 LEU 181 H 0.02 0.56 0.21 -0.55 8.37 8.61 1fv9A1 LEU 181 HA 0.03 0.09 0.79 -0.75 4.35 4.51 1fv9A1 LEU 181 HB2 0.06 0.14 -0.01 -0.04 1.64 1.79 1fv9A1 LEU 181 HB3 0.05 0.01 -0.07 -0.04 1.64 1.59 1fv9A1 LEU 181 HG 0.03 -0.02 -0.10 -0.04 1.64 1.51 1fv9A1 LEU 181 HD13 0.03 -0.03 -0.10 -0.04 0.93 0.79 1fv9A1 LEU 181 HD23 0.03 0.01 -0.03 -0.04 0.89 0.85 1fv9A1 CYS 182 H 0.06 0.13 0.15 -0.55 8.50 8.30 1fv9A1 CYS 182 HA 0.05 0.37 0.76 -0.75 4.58 5.00 1fv9A1 CYS 182 HB2 0.08 -0.09 -0.06 -0.04 2.97 2.86 1fv9A1 CYS 182 HB3 0.05 0.03 0.04 -0.04 2.97 3.04 1fv9A1 ALA 183 H 0.08 0.52 0.28 -0.55 8.40 8.73 1fv9A1 ALA 183 HA 0.00 -0.10 0.59 -0.75 4.34 4.08 1fv9A1 ALA 183 HB3 -0.12 0.02 -0.27 -0.04 1.41 0.99 1fv9A1 ALA 184 H -0.01 0.73 0.32 -0.55 8.40 8.91 1fv9A1 ALA 184 HA 0.00 -0.05 -0.10 -0.75 4.34 3.44 1fv9A1 ALA 184 HB3 -0.03 0.03 0.28 -0.04 1.41 1.66 1fv9A1 ASP 185 H 0.00 0.21 0.13 -0.55 8.40 8.20 1fv9A1 ASP 185 HA 0.00 0.01 0.49 -0.75 4.63 4.38 1fv9A1 ASP 185 HB2 0.00 0.07 0.15 -0.04 2.71 2.90 1fv9A1 ASP 185 HB3 0.01 0.01 0.17 -0.04 2.70 2.85 1fv9A1 PRO 186 HA -0.00 -0.02 0.37 -0.51 4.44 4.28 1fv9A1 PRO 186 HB2 0.02 0.04 0.13 -0.04 2.28 2.43 1fv9A1 PRO 186 HB3 0.01 0.01 0.04 -0.04 2.02 2.04 1fv9A1 PRO 186 HG2 0.01 0.05 0.10 -0.04 2.03 2.15 1fv9A1 PRO 186 HG3 0.01 0.05 0.09 -0.04 2.03 2.14 1fv9A1 PRO 186 HD2 0.01 0.11 0.22 -0.04 3.68 3.98 1fv9A1 PRO 186 HD3 0.01 0.09 0.32 -0.04 3.65 4.03 1fv9A1 GLN 187 H -0.02 0.00 0.11 -0.55 8.47 8.02 1fv9A1 GLN 187 HA -0.01 0.24 -0.07 -0.75 4.36 3.76 1fv9A1 GLN 187 HB2 -0.07 0.03 0.17 -0.04 2.15 2.23 1fv9A1 GLN 187 HB3 -0.18 0.02 0.07 -0.04 2.02 1.89 1fv9A1 GLN 187 HG2 -0.12 0.01 0.08 -0.04 2.40 2.33 1fv9A1 GLN 187 HG3 -0.23 0.00 0.08 -0.04 2.39 2.20 1fv9A1 GLN 187 HE21 -0.30 0.09 -0.18 -0.04 6.97 6.54 1fv9A1 GLN 187 HE22 -0.27 0.03 -0.07 -0.04 7.69 7.34 1fv9A1 TRP 188 H 0.03 0.07 -0.15 -0.55 7.97 7.37 1fv9A1 TRP 188 HA -0.04 -0.01 0.01 -0.75 4.62 3.82 1fv9A1 TRP 188 HB2 -0.03 -0.06 -0.55 -0.04 3.23 2.55 1fv9A1 TRP 188 HB3 -0.02 0.09 -0.10 -0.04 3.23 3.15 1fv9A1 TRP 188 HD1 -0.02 0.87 0.41 -0.04 7.22 8.44 1fv9A1 TRP 188 HE1 -0.02 0.02 0.14 -0.04 10.20 10.31 1fv9A1 TRP 188 HE3 -0.02 0.03 -0.04 -0.04 7.59 7.52 1fv9A1 TRP 188 HZ2 -0.01 0.02 0.05 -0.04 7.44 7.46 1fv9A1 TRP 188 HZ3 -0.01 -0.00 0.01 -0.04 7.13 7.09 1fv9A1 TRP 188 HH2 -0.01 0.00 0.02 -0.04 7.19 7.17 1fv9A1 LYS 189 H 0.11 0.15 -0.14 -0.55 8.42 7.98 1fv9A1 LYS 189 HA 0.07 0.53 1.01 -0.75 4.32 5.17 1fv9A1 LYS 189 HB2 0.06 0.06 0.05 -0.04 1.87 2.00 1fv9A1 LYS 189 HB3 0.02 -0.04 -0.08 -0.04 1.79 1.65 1fv9A1 LYS 189 HG2 -0.02 -0.04 0.02 -0.04 1.46 1.37 1fv9A1 LYS 189 HG3 -0.03 0.08 0.13 -0.04 1.46 1.60 1fv9A1 LYS 189 HD2 -0.00 0.00 -0.04 -0.04 1.69 1.61 1fv9A1 LYS 189 HD3 -0.08 -0.04 -0.00 -0.04 1.68 1.52 1fv9A1 LYS 189 HE2 -0.13 0.06 -0.01 -0.04 2.99 2.87 1fv9A1 LYS 189 HE3 -0.01 -0.03 -0.40 -0.04 2.99 2.50 1fv9A1 THR 190 H 0.03 0.08 0.15 -0.55 8.28 7.99 1fv9A1 THR 190 HA -0.00 0.48 0.44 -0.75 4.39 4.56 1fv9A1 THR 190 HB -0.02 0.10 0.20 -0.04 4.32 4.56 1fv9A1 THR 190 HG23 -0.00 -0.02 0.06 -0.04 1.22 1.22 1fv9A1 ASP 191 H -0.00 0.19 -0.05 -0.55 8.40 8.00 1fv9A1 ASP 191 HA 0.04 -0.02 0.32 -0.75 4.63 4.22 1fv9A1 ASP 191 HB2 0.03 0.17 -0.56 -0.04 2.71 2.31 1fv9A1 ASP 191 HB3 0.03 0.16 -0.25 -0.04 2.70 2.60 1fv9A1 SER 192 H 0.06 0.08 0.03 -0.55 8.46 8.08 1fv9A1 SER 192 HA 0.01 0.22 0.47 -0.75 4.49 4.44 1fv9A1 SER 192 HB2 -0.01 0.04 0.05 -0.04 3.95 3.99 1fv9A1 SER 192 HB3 0.04 0.07 -0.03 -0.04 3.93 3.96 1fv9A1 CYS 193 H -0.00 0.36 0.05 -0.55 8.50 8.36 1fv9A1 CYS 193 HA 0.01 0.05 0.30 -0.75 4.58 4.19 1fv9A1 CYS 193 HB2 -0.02 0.19 -0.73 -0.04 2.97 2.37 1fv9A1 CYS 193 HB3 -0.05 0.11 -0.29 -0.04 2.97 2.70 1fv9A1 GLN 194 H -0.01 0.18 0.02 -0.55 8.47 8.11 1fv9A1 GLN 194 HA 0.05 0.01 0.33 -0.75 4.36 4.00 1fv9A1 GLN 194 HB2 0.05 0.01 0.07 -0.04 2.15 2.24 1fv9A1 GLN 194 HB3 0.02 0.06 -0.13 -0.04 2.02 1.93 1fv9A1 GLN 194 HG2 0.20 0.05 -0.02 -0.04 2.40 2.59 1fv9A1 GLN 194 HG3 0.11 -0.04 0.04 -0.04 2.39 2.46 1fv9A1 GLN 194 HE21 0.14 0.02 0.01 -0.04 6.97 7.10 1fv9A1 GLN 194 HE22 0.19 0.01 -0.00 -0.04 7.69 7.85 1fv9A1 GLY 195 H 0.14 0.12 0.18 -0.55 8.43 8.32 1fv9A1 GLY 195 HA2 0.27 0.14 0.46 -0.51 4.01 4.37 1fv9A1 GLY 195 HA3 0.13 0.15 0.53 -0.51 4.01 4.31 1fv9A1 ASP 196 H 0.09 -0.33 0.12 -0.55 8.40 7.73 1fv9A1 ASP 196 HA 0.15 0.07 0.51 -0.75 4.63 4.61 1fv9A1 ASP 196 HB2 0.02 0.16 -0.23 -0.04 2.71 2.62 1fv9A1 ASP 196 HB3 0.05 -0.09 -0.19 -0.04 2.70 2.43 1fv9A1 SER 197 H 0.11 -0.19 0.20 -0.55 8.46 8.03 1fv9A1 SER 197 HA 0.06 0.02 0.30 -0.75 4.49 4.12 1fv9A1 SER 197 HB2 0.17 0.12 0.16 -0.04 3.95 4.36 1fv9A1 SER 197 HB3 0.11 -0.06 -0.13 -0.04 3.93 3.82 1fv9A1 GLY 198 H 0.03 0.62 0.31 -0.55 8.43 8.83 1fv9A1 GLY 198 HA2 -0.01 -0.17 0.47 -0.51 4.01 3.79 1fv9A1 GLY 198 HA3 -0.01 0.30 0.92 -0.51 4.01 4.72 1fv9A1 GLY 199 H 0.15 0.42 -0.14 -0.55 8.43 8.32 1fv9A1 GLY 199 HA2 0.38 -0.01 0.58 -0.51 4.01 4.45 1fv9A1 GLY 199 HA3 0.20 0.22 0.38 -0.51 4.01 4.30 1fv9A1 PRO 200 HA 0.13 0.20 0.77 -0.51 4.44 5.03 1fv9A1 PRO 200 HB2 0.22 0.01 -0.11 -0.04 2.28 2.36 1fv9A1 PRO 200 HB3 0.23 0.06 -0.04 -0.04 2.02 2.23 1fv9A1 PRO 200 HG2 0.33 0.01 0.10 -0.04 2.03 2.43 1fv9A1 PRO 200 HG3 0.53 0.07 0.09 -0.04 2.03 2.67 1fv9A1 PRO 200 HD2 0.10 -0.16 0.43 -0.04 3.68 4.00 1fv9A1 PRO 200 HD3 0.30 0.14 0.37 -0.04 3.65 4.41 1fv9A1 LEU 201 H 0.05 0.65 0.31 -0.55 8.37 8.84 1fv9A1 LEU 201 HA -0.05 0.27 0.74 -0.75 4.35 4.55 1fv9A1 LEU 201 HB2 -0.22 -0.01 -0.17 -0.04 1.64 1.19 1fv9A1 LEU 201 HB3 -0.06 0.00 0.07 -0.04 1.64 1.61 1fv9A1 LEU 201 HG -0.16 -0.06 -0.23 -0.04 1.64 1.15 1fv9A1 LEU 201 HD13 -0.36 -0.00 -0.21 -0.04 0.93 0.32 1fv9A1 LEU 201 HD23 -0.51 0.01 -0.26 -0.04 0.89 0.08 1fv9A1 VAL 202 H -0.00 0.35 0.17 -0.55 8.24 8.21 1fv9A1 VAL 202 HA -0.07 0.20 0.94 -0.75 4.13 4.45 1fv9A1 VAL 202 HB 0.13 -0.01 0.16 -0.04 2.12 2.36 1fv9A1 VAL 202 HG13 -0.22 -0.01 -0.16 -0.04 0.97 0.54 1fv9A1 VAL 202 HG23 0.25 0.09 -0.18 -0.04 0.95 1.06 1fv9A1 CYS 203 H -0.05 0.27 0.35 -0.55 8.50 8.53 1fv9A1 CYS 203 HA -0.02 0.12 0.66 -0.75 4.58 4.58 1fv9A1 CYS 203 HB2 -0.04 0.01 0.07 -0.04 2.97 2.97 1fv9A1 CYS 203 HB3 -0.03 0.07 0.05 -0.04 2.97 3.02 1fv9A1 SER 204 H -0.01 0.20 0.19 -0.55 8.46 8.29 1fv9A1 SER 204 HA -0.01 0.25 0.73 -0.75 4.49 4.71 1fv9A1 SER 204 HB2 -0.00 0.01 0.17 -0.04 3.95 4.09 1fv9A1 SER 204 HB3 -0.00 -0.05 -0.01 -0.04 3.93 3.83 1fv9A1 LEU 205 H -0.02 0.68 0.05 -0.55 8.37 8.54 1fv9A1 LEU 205 HA -0.02 0.05 0.64 -0.75 4.35 4.26 1fv9A1 LEU 205 HB2 -0.03 0.05 -0.01 -0.04 1.64 1.61 1fv9A1 LEU 205 HB3 -0.02 0.01 0.12 -0.04 1.64 1.70 1fv9A1 LEU 205 HG -0.02 -0.03 -0.06 -0.04 1.64 1.49 1fv9A1 LEU 205 HD13 -0.02 -0.00 -0.07 -0.04 0.93 0.80 1fv9A1 LEU 205 HD23 -0.01 -0.02 -0.13 -0.04 0.89 0.69 1fv9A1 GLN 206 H -0.01 0.19 -0.06 -0.55 8.47 8.04 1fv9A1 GLN 206 HA -0.01 0.03 0.26 -0.75 4.36 3.89 1fv9A1 GLN 206 HB2 -0.01 -0.02 -0.06 -0.04 2.15 2.02 1fv9A1 GLN 206 HB3 -0.01 0.18 0.27 -0.04 2.02 2.42 1fv9A1 GLN 206 HG2 -0.00 0.00 0.01 -0.04 2.40 2.36 1fv9A1 GLN 206 HG3 -0.00 -0.00 0.13 -0.04 2.39 2.48 1fv9A1 GLN 206 HE21 -0.00 0.00 0.01 -0.04 6.97 6.93 1fv9A1 GLN 206 HE22 -0.00 -0.01 0.03 -0.04 7.69 7.66 1fv9A1 GLY 207 H -0.00 0.12 -0.94 -0.55 8.43 7.06 1fv9A1 GLY 207 HA2 0.00 0.06 0.52 -0.51 4.01 4.08 1fv9A1 GLY 207 HA3 0.00 0.07 -0.03 -0.51 4.01 3.55 1fv9A1 ARG 208 H -0.01 0.27 0.05 -0.55 8.46 8.22 1fv9A1 ARG 208 HA 0.00 -0.00 0.14 -0.75 4.34 3.73 1fv9A1 ARG 208 HB2 -0.01 -0.06 0.10 -0.04 1.90 1.90 1fv9A1 ARG 208 HB3 -0.02 0.07 0.14 -0.04 1.80 1.95 1fv9A1 ARG 208 HG2 -0.03 -0.08 0.03 -0.04 1.67 1.55 1fv9A1 ARG 208 HG3 -0.05 0.24 -0.16 -0.04 1.67 1.66 1fv9A1 ARG 208 HD2 -0.02 -0.24 0.22 -0.04 3.22 3.15 1fv9A1 ARG 208 HD3 -0.00 -0.07 0.06 -0.04 3.22 3.16 1fv9A1 MET 209 H 0.01 0.10 0.17 -0.55 8.47 8.20 1fv9A1 MET 209 HA -0.02 0.11 0.47 -0.75 4.52 4.33 1fv9A1 MET 209 HB2 -0.12 -0.04 0.03 -0.04 2.15 1.97 1fv9A1 MET 209 HB3 -0.11 0.01 -0.05 -0.04 2.03 1.84 1fv9A1 MET 209 HG2 0.09 -0.04 0.11 -0.04 2.63 2.75 1fv9A1 MET 209 HG3 0.30 0.04 0.01 -0.04 2.56 2.87 1fv9A1 MET 209 HE3 0.33 0.01 -0.03 -0.04 2.10 2.36 1fv9A1 THR 210 H -0.12 0.31 0.20 -0.55 8.28 8.13 1fv9A1 THR 210 HA -0.15 0.22 0.78 -0.75 4.39 4.49 1fv9A1 THR 210 HB -0.06 0.07 -0.07 -0.04 4.32 4.22 1fv9A1 THR 210 HG23 -0.06 -0.04 -0.24 -0.04 1.22 0.83 1fv9A1 LEU 211 H -0.17 0.96 0.13 -0.55 8.37 8.75 1fv9A1 LEU 211 HA -0.16 0.01 0.42 -0.75 4.35 3.86 1fv9A1 LEU 211 HB2 -0.19 0.07 -0.05 -0.04 1.64 1.42 1fv9A1 LEU 211 HB3 -0.09 -0.03 0.16 -0.04 1.64 1.63 1fv9A1 LEU 211 HG -0.04 -0.06 -0.11 -0.04 1.64 1.39 1fv9A1 LEU 211 HD13 -0.07 0.00 -0.10 -0.04 0.93 0.72 1fv9A1 LEU 211 HD23 -0.05 0.00 -0.07 -0.04 0.89 0.72 1fv9A1 THR 212 H -0.07 0.33 0.65 -0.55 8.28 8.64 1fv9A1 THR 212 HA -0.03 -0.01 0.27 -0.75 4.39 3.87 1fv9A1 THR 212 HB -0.05 0.01 0.12 -0.04 4.32 4.35 1fv9A1 THR 212 HG23 -0.03 -0.02 -0.05 -0.04 1.22 1.09 1fv9A1 GLY 213 H -0.01 0.47 0.08 -0.55 8.43 8.42 1fv9A1 GLY 213 HA2 0.05 0.16 0.86 -0.51 4.01 4.57 1fv9A1 GLY 213 HA3 0.06 -0.02 0.09 -0.51 4.01 3.63 1fv9A1 ILE 214 H 0.09 0.22 0.21 -0.55 8.25 8.22 1fv9A1 ILE 214 HA 0.09 0.31 0.70 -0.75 4.18 4.53 1fv9A1 ILE 214 HB -0.01 -0.10 0.10 -0.04 1.89 1.85 1fv9A1 ILE 214 HG12 0.02 0.10 -0.30 -0.04 1.49 1.26 1fv9A1 ILE 214 HG13 -0.01 -0.07 -0.16 -0.04 1.21 0.93 1fv9A1 ILE 214 HG23 0.01 0.06 -0.17 -0.04 0.93 0.79 1fv9A1 ILE 214 HD13 -0.06 0.01 -0.11 -0.04 0.88 0.69 1fv9A1 VAL 215 H 0.13 0.77 0.20 -0.55 8.24 8.80 1fv9A1 VAL 215 HA -0.17 0.05 0.15 -0.75 4.13 3.41 1fv9A1 VAL 215 HB 0.05 -0.13 0.04 -0.04 2.12 2.05 1fv9A1 VAL 215 HG13 -0.26 -0.00 -0.14 -0.04 0.97 0.53 1fv9A1 VAL 215 HG23 0.31 0.08 -0.23 -0.04 0.95 1.07 1fv9A1 SER 216 H -0.31 0.35 0.41 -0.55 8.46 8.36 1fv9A1 SER 216 HA 0.11 0.09 1.10 -0.75 4.49 5.04 1fv9A1 SER 216 HB2 0.07 0.01 -0.07 -0.04 3.95 3.91 1fv9A1 SER 216 HB3 0.08 0.05 0.06 -0.04 3.93 4.07 1fv9A1 TRP 217 H -0.28 0.35 0.31 -0.55 7.97 7.81 1fv9A1 TRP 217 HA -0.12 0.12 0.25 -0.75 4.62 4.11 1fv9A1 TRP 217 HB2 -0.05 -0.04 0.15 -0.04 3.23 3.25 1fv9A1 TRP 217 HB3 0.11 0.16 0.19 -0.04 3.23 3.64 1fv9A1 TRP 217 HD1 -0.06 -0.04 -0.23 -0.04 7.22 6.83 1fv9A1 TRP 217 HE1 -0.18 0.17 -0.02 -0.04 10.20 10.13 1fv9A1 TRP 217 HE3 -0.26 -0.01 -0.27 -0.04 7.59 7.00 1fv9A1 TRP 217 HZ2 -0.24 0.09 -0.13 -0.04 7.44 7.12 1fv9A1 TRP 217 HZ3 -0.77 0.05 -0.13 -0.04 7.13 6.24 1fv9A1 TRP 217 HH2 -0.40 0.04 -0.27 -0.04 7.19 6.52 1fv9A1 GLY 218 H 0.36 0.30 0.07 -0.55 8.43 8.62 1fv9A1 GLY 218 HA2 -0.07 0.09 0.30 -0.51 4.01 3.83 1fv9A1 GLY 218 HA3 -0.04 0.10 0.50 -0.51 4.01 4.07 1fv9A1 ARG 219 H 0.29 0.27 0.04 -0.55 8.46 8.51 1fv9A1 ARG 219 HA 0.16 0.03 0.82 -0.75 4.34 4.59 1fv9A1 ARG 219 HB2 0.27 -0.03 0.04 -0.04 1.90 2.15 1fv9A1 ARG 219 HB3 0.32 0.03 0.16 -0.04 1.80 2.27 1fv9A1 ARG 219 HG2 0.13 0.04 -0.01 -0.04 1.67 1.79 1fv9A1 ARG 219 HG3 0.10 0.01 -0.16 -0.04 1.67 1.58 1fv9A1 ARG 219 HD2 0.11 -0.03 0.05 -0.04 3.22 3.30 1fv9A1 ARG 219 HD3 0.10 -0.01 -0.01 -0.04 3.22 3.26 1fv9A1 GLY 220 H 0.09 0.09 0.03 -0.55 8.43 8.10 1fv9A1 GLY 220 HA2 0.07 -0.00 0.28 -0.51 4.01 3.85 1fv9A1 GLY 220 HA3 0.07 0.10 0.27 -0.51 4.01 3.95 1fv9A1 CYS 221 H 0.06 0.25 0.04 -0.55 8.50 8.31 1fv9A1 CYS 221 HA 0.04 0.11 0.52 -0.75 4.58 4.49 1fv9A1 CYS 221 HB2 0.04 -0.10 0.07 -0.04 2.97 2.94 1fv9A1 CYS 221 HB3 0.03 0.28 -0.04 -0.04 2.97 3.20 1fv9A1 ALA 222 H 0.04 0.11 -0.03 -0.55 8.40 7.98 1fv9A1 ALA 222 HA 0.08 -0.05 0.11 -0.75 4.34 3.72 1fv9A1 ALA 222 HB3 0.11 0.15 -0.05 -0.04 1.41 1.57 1fv9A1 LEU 223 H 0.01 0.21 -0.01 -0.55 8.37 8.03 1fv9A1 LEU 223 HA 0.10 0.13 0.63 -0.75 4.35 4.46 1fv9A1 LEU 223 HB2 -0.02 0.11 -0.06 -0.04 1.64 1.63 1fv9A1 LEU 223 HB3 -0.10 0.09 -0.33 -0.04 1.64 1.26 1fv9A1 LEU 223 HG 0.08 -0.06 -0.29 -0.04 1.64 1.34 1fv9A1 LEU 223 HD13 0.02 0.05 -0.14 -0.04 0.93 0.83 1fv9A1 LEU 223 HD23 0.20 0.02 -0.11 -0.04 0.89 0.96 1fv9A1 LYS 224 H -1.01 0.20 0.14 -0.55 8.42 7.20 1fv9A1 LYS 224 HA -0.70 -0.09 0.23 -0.75 4.32 3.01 1fv9A1 LYS 224 HB2 -2.71 0.03 0.18 -0.04 1.87 -0.67 1fv9A1 LYS 224 HB3 -0.89 0.05 0.22 -0.04 1.79 1.13 1fv9A1 LYS 224 HG2 -0.46 0.03 0.02 -0.04 1.46 1.01 1fv9A1 LYS 224 HG3 -0.72 -0.04 0.07 -0.04 1.46 0.73 1fv9A1 LYS 224 HD2 -0.73 0.01 0.03 -0.04 1.69 0.96 1fv9A1 LYS 224 HD3 -0.50 0.02 0.03 -0.04 1.68 1.19 1fv9A1 LYS 224 HE2 -0.21 -0.02 -0.00 -0.04 2.99 2.72 1fv9A1 LYS 224 HE3 -0.15 -0.00 0.01 -0.04 2.99 2.80 1fv9A1 ASP 225 H -0.43 0.02 0.21 -0.55 8.40 7.66 1fv9A1 ASP 225 HA -0.80 -0.09 0.24 -0.75 4.63 3.22 1fv9A1 ASP 225 HB2 -0.19 0.33 -0.14 -0.04 2.71 2.68 1fv9A1 ASP 225 HB3 -0.01 0.08 0.01 -0.04 2.70 2.74 1fv9A1 LYS 226 H -0.35 0.68 -0.03 -0.55 8.42 8.16 1fv9A1 LYS 226 HA -0.60 0.15 0.69 -0.75 4.32 3.80 1fv9A1 LYS 226 HB2 -0.12 -0.07 0.10 -0.04 1.87 1.73 1fv9A1 LYS 226 HB3 -0.03 0.04 0.15 -0.04 1.79 1.92 1fv9A1 LYS 226 HG2 -0.14 0.05 -0.14 -0.04 1.46 1.19 1fv9A1 LYS 226 HG3 -0.02 0.01 -0.02 -0.04 1.46 1.39 1fv9A1 LYS 226 HD2 -0.05 -0.09 -0.01 -0.04 1.69 1.50 1fv9A1 LYS 226 HD3 -0.51 0.07 -0.13 -0.04 1.68 1.06 1fv9A1 LYS 226 HE2 -0.13 -0.01 -0.07 -0.04 2.99 2.73 1fv9A1 LYS 226 HE3 -0.04 -0.10 -0.02 -0.04 2.99 2.79 1fv9A1 PRO 227 HA -0.08 0.02 0.60 -0.51 4.44 4.47 1fv9A1 PRO 227 HB2 0.07 0.00 -0.00 -0.04 2.28 2.31 1fv9A1 PRO 227 HB3 -0.02 -0.07 0.12 -0.04 2.02 2.01 1fv9A1 PRO 227 HG2 -0.14 -0.01 0.05 -0.04 2.03 1.88 1fv9A1 PRO 227 HG3 -0.32 -0.02 -0.05 -0.04 2.03 1.59 1fv9A1 PRO 227 HD2 -0.74 0.10 0.23 -0.04 3.68 3.23 1fv9A1 PRO 227 HD3 -0.77 0.34 -0.30 -0.04 3.65 2.88 1fv9A1 GLY 228 H 0.04 0.22 0.33 -0.55 8.43 8.47 1fv9A1 GLY 228 HA2 -0.20 0.21 0.84 -0.51 4.01 4.36 1fv9A1 GLY 228 HA3 -0.07 -0.08 0.40 -0.51 4.01 3.75 1fv9A1 VAL 229 H -0.69 0.64 0.29 -0.55 8.24 7.94 1fv9A1 VAL 229 HA -0.15 0.35 1.03 -0.75 4.13 4.60 1fv9A1 VAL 229 HB -1.42 -0.09 -0.11 -0.04 2.12 0.45 1fv9A1 VAL 229 HG13 -0.26 -0.02 -0.29 -0.04 0.97 0.35 1fv9A1 VAL 229 HG23 -1.17 0.03 -0.30 -0.04 0.95 -0.54 1fv9A1 TYR 230 H 0.04 0.60 0.28 -0.55 8.29 8.66 1fv9A1 TYR 230 HA -0.05 0.17 0.85 -0.75 4.56 4.77 1fv9A1 TYR 230 HB2 -0.04 0.06 -0.06 -0.04 3.06 2.98 1fv9A1 TYR 230 HB3 -0.02 -0.04 -0.28 -0.04 2.98 2.59 1fv9A1 TYR 230 HD2 -0.05 0.18 -0.37 -0.04 7.15 6.86 1fv9A1 TYR 230 HE2 -0.04 0.08 -0.24 -0.04 6.85 6.61 1fv9A1 THR 231 H 0.05 0.45 0.30 -0.55 8.28 8.52 1fv9A1 THR 231 HA 0.07 0.11 0.67 -0.75 4.39 4.49 1fv9A1 THR 231 HB -0.02 -0.05 0.07 -0.04 4.32 4.28 1fv9A1 THR 231 HG23 0.01 0.01 -0.05 -0.04 1.22 1.15 1fv9A1 ARG 232 H 0.14 0.31 0.10 -0.55 8.46 8.46 1fv9A1 ARG 232 HA 0.08 0.24 0.49 -0.75 4.34 4.39 1fv9A1 ARG 232 HB2 0.02 0.02 -0.25 -0.04 1.90 1.64 1fv9A1 ARG 232 HB3 -0.02 -0.03 0.08 -0.04 1.80 1.79 1fv9A1 ARG 232 HG2 0.25 -0.17 -0.04 -0.04 1.67 1.67 1fv9A1 ARG 232 HG3 0.09 0.07 -0.03 -0.04 1.67 1.76 1fv9A1 ARG 232 HD2 -0.11 0.12 0.19 -0.04 3.22 3.37 1fv9A1 ARG 232 HD3 0.17 -0.06 0.03 -0.04 3.22 3.32 1fv9A1 VAL 233 H 0.08 0.62 0.30 -0.55 8.24 8.68 1fv9A1 VAL 233 HA 0.17 -0.04 0.12 -0.75 4.13 3.63 1fv9A1 VAL 233 HB 0.02 0.07 0.10 -0.04 2.12 2.28 1fv9A1 VAL 233 HG13 0.02 -0.02 -0.04 -0.04 0.97 0.89 1fv9A1 VAL 233 HG23 0.02 0.12 -0.17 -0.04 0.95 0.88 1fv9A1 SER 234 H 0.06 0.18 -0.11 -0.55 8.46 8.04 1fv9A1 SER 234 HA -0.01 0.11 0.31 -0.75 4.49 4.15 1fv9A1 SER 234 HB2 -0.12 -0.18 0.15 -0.04 3.95 3.75 1fv9A1 SER 234 HB3 -0.04 0.33 0.06 -0.04 3.93 4.24 1fv9A1 HIS 235 H 0.17 0.52 -0.26 -0.55 8.41 8.30 1fv9A1 HIS 235 HA -0.14 0.05 0.45 -0.75 4.63 4.24 1fv9A1 HIS 235 HB2 -0.21 0.26 0.10 -0.04 3.26 3.37 1fv9A1 HIS 235 HB3 -0.48 -0.05 0.15 -0.04 3.20 2.78 1fv9A1 HIS 235 HD2 -0.17 -0.00 0.04 -0.04 6.97 6.80 1fv9A1 HIS 235 HE1 -0.03 0.03 -0.03 -0.04 7.75 7.68 1fv9A1 PHE 236 H 0.15 0.54 -0.49 -0.55 8.34 7.99 1fv9A1 PHE 236 HA 0.02 0.25 1.01 -0.75 4.62 5.14 1fv9A1 PHE 236 HB2 -0.04 0.15 -0.01 -0.04 3.15 3.22 1fv9A1 PHE 236 HB3 -0.02 -0.09 0.03 -0.04 3.06 2.94 1fv9A1 PHE 236 HD2 -0.18 -0.01 -0.12 -0.04 7.28 6.93 1fv9A1 PHE 236 HE2 -0.47 -0.02 -0.02 -0.04 7.38 6.83 1fv9A1 PHE 236 HZ -0.33 -0.12 0.01 -0.04 7.32 6.84 1fv9A1 LEU 237 H 0.06 0.24 -0.04 -0.55 8.37 8.10 1fv9A1 LEU 237 HA 0.09 0.02 0.23 -0.75 4.35 3.94 1fv9A1 LEU 237 HB2 -0.03 0.02 0.04 -0.04 1.64 1.62 1fv9A1 LEU 237 HB3 -0.01 -0.00 0.00 -0.04 1.64 1.59 1fv9A1 LEU 237 HG 0.01 -0.00 0.05 -0.04 1.64 1.66 1fv9A1 LEU 237 HD13 -0.06 0.04 -0.17 -0.04 0.93 0.69 1fv9A1 LEU 237 HD23 0.01 -0.01 -0.06 -0.04 0.89 0.79 1fv9A1 PRO 238 HA 0.05 0.07 0.51 -0.51 4.44 4.57 1fv9A1 PRO 238 HB2 0.14 -0.05 0.09 -0.04 2.28 2.41 1fv9A1 PRO 238 HB3 0.07 0.05 0.05 -0.04 2.02 2.15 1fv9A1 PRO 238 HG2 0.02 0.07 -0.01 -0.04 2.03 2.06 1fv9A1 PRO 238 HG3 0.01 0.04 0.01 -0.04 2.03 2.04 1fv9A1 PRO 238 HD2 0.07 0.09 -0.51 -0.04 3.68 3.28 1fv9A1 PRO 238 HD3 -0.01 0.11 -0.08 -0.04 3.65 3.63 1fv9A1 TRP 239 H 0.35 0.22 -0.04 -0.55 7.97 7.95 1fv9A1 TRP 239 HA -0.03 0.02 0.22 -0.75 4.62 4.08 1fv9A1 TRP 239 HB2 0.13 -0.02 0.12 -0.04 3.23 3.42 1fv9A1 TRP 239 HB3 0.13 0.14 0.07 -0.04 3.23 3.53 1fv9A1 TRP 239 HD1 -0.07 0.00 0.02 -0.04 7.22 7.13 1fv9A1 TRP 239 HE1 -0.37 -0.12 0.06 -0.04 10.20 9.73 1fv9A1 TRP 239 HE3 -0.12 0.07 -0.44 -0.04 7.59 7.06 1fv9A1 TRP 239 HZ2 0.03 0.01 -0.34 -0.04 7.44 7.10 1fv9A1 TRP 239 HZ3 -0.16 0.00 -0.23 -0.04 7.13 6.70 1fv9A1 TRP 239 HH2 -0.03 0.04 -0.14 -0.04 7.19 7.03 1fv9A1 ILE 240 H 0.32 0.48 -0.41 -0.55 8.25 8.09 1fv9A1 ILE 240 HA 0.04 0.05 0.41 -0.75 4.18 3.91 1fv9A1 ILE 240 HB 0.12 0.03 -0.09 -0.04 1.89 1.90 1fv9A1 ILE 240 HG12 0.26 -0.01 -0.10 -0.04 1.49 1.60 1fv9A1 ILE 240 HG13 0.42 -0.02 -0.16 -0.04 1.21 1.41 1fv9A1 ILE 240 HG23 -0.05 -0.00 -0.16 -0.04 0.93 0.67 1fv9A1 ILE 240 HD13 0.05 -0.01 -0.13 -0.04 0.88 0.75 1fv9A1 ARG 241 H 0.01 0.68 -0.17 -0.55 8.46 8.43 1fv9A1 ARG 241 HA -0.11 0.18 1.15 -0.75 4.34 4.82 1fv9A1 ARG 241 HB2 -0.01 0.09 0.14 -0.04 1.90 2.08 1fv9A1 ARG 241 HB3 -0.03 -0.08 0.07 -0.04 1.80 1.72 1fv9A1 ARG 241 HG2 -0.02 0.13 -0.03 -0.04 1.67 1.72 1fv9A1 ARG 241 HG3 -0.02 -0.06 0.01 -0.04 1.67 1.55 1fv9A1 ARG 241 HD2 -0.08 0.12 -0.01 -0.04 3.22 3.21 1fv9A1 ARG 241 HD3 -0.04 -0.02 -0.05 -0.04 3.22 3.07 1fv9A1 SER 242 H -0.02 0.47 -0.07 -0.55 8.46 8.29 1fv9A1 SER 242 HA -0.04 0.16 0.76 -0.75 4.49 4.62 1fv9A1 SER 242 HB2 0.00 -0.02 0.11 -0.04 3.95 4.00 1fv9A1 SER 242 HB3 0.03 -0.00 -0.04 -0.04 3.93 3.88 1fv9A1 HIS 243 H -0.18 0.19 -0.41 -0.55 8.41 7.46 1fv9A1 HIS 243 HA -0.29 0.10 0.22 -0.75 4.63 3.91 1fv9A1 HIS 243 HB2 -1.15 0.11 0.04 -0.04 3.26 2.23 1fv9A1 HIS 243 HB3 -0.67 -0.06 0.13 -0.04 3.20 2.56 1fv9A1 HIS 243 HD2 -0.52 -0.02 0.00 -0.04 6.97 6.39 1fv9A1 HIS 243 HE1 -0.13 -0.05 -0.02 -0.04 7.75 7.50 1fv9A1 THR 244 H -0.15 0.16 -0.39 -0.55 8.28 7.35 1fv9A1 THR 244 HA -0.30 0.12 0.31 -0.75 4.39 3.77 1fv9A1 THR 244 HB -0.29 0.01 -0.11 -0.04 4.32 3.89 1fv9A1 THR 244 HG23 -0.18 -0.01 0.08 -0.04 1.22 1.08