============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 4 1.000 52.815 28.710 108.934 -99.200 -91.000 HIS 19 0.900 39.385 26.199 100.408 -99.200 -91.000 TYR 27 0.840 42.446 22.084 108.989 -99.200 -91.000 TYR 48 0.840 44.596 40.803 114.016 -99.200 -91.000 HIS 64 0.900 58.974 42.246 102.721 -99.200 -91.000 TRP 66 1.040 60.066 45.367 111.591 -99.200 -91.000 TRP6 66 1.020 59.140 44.938 113.718 -99.200 -91.000 HIS 68 0.900 49.772 50.127 107.283 -99.200 -91.000 TYR 72 0.840 55.847 49.635 114.674 -99.200 -91.000 TYR 86 0.840 63.349 41.491 113.690 -99.200 -91.000 PHE 95 1.000 57.273 33.098 123.963 -99.200 -91.000 TRP 96 1.040 49.775 33.636 121.105 -99.200 -91.000 TRP6 96 1.020 49.488 35.954 121.460 -99.200 -91.000 PHE 107 1.000 54.058 30.100 114.885 -99.200 -91.000 PHE 114 1.000 72.430 33.366 100.067 -99.200 -91.000 PHE 121 1.000 71.146 27.015 113.475 -99.200 -91.000 TYR 135 0.840 50.893 17.974 120.657 -99.200 -91.000 HIS 141 0.900 59.445 34.928 106.401 -99.200 -91.000 HIS 152 0.900 68.488 16.888 109.638 -99.200 -91.000 TYR 153 0.840 70.837 23.328 117.645 -99.200 -91.000 HIS 165 0.900 62.028 35.736 102.730 -99.200 -91.000 HIS 167 0.900 56.881 35.348 98.843 -99.200 -91.000 TYR 182 0.840 62.443 20.746 106.589 -99.200 -91.000 TYR 191 0.840 51.940 30.466 93.732 -99.200 -91.000 HIS 192 0.900 47.483 33.219 87.155 -99.200 -91.000 PHE 202 1.000 59.092 41.854 92.050 -99.200 -91.000 PHE 206 1.000 65.173 39.895 88.698 -99.200 -91.000 PHE 214 1.000 55.322 44.259 95.724 -99.200 -91.000 PHE 223 1.000 43.998 28.008 102.257 -99.200 -91.000 HIS 224 0.900 50.059 26.391 96.923 -99.200 -91.000 PHE 230 1.000 51.902 19.015 115.684 -99.200 -91.000 TYR 241 0.840 43.646 22.228 101.671 -99.200 -91.000 TRP 243 1.040 39.800 25.932 97.187 -99.200 -91.000 TRP6 243 1.020 39.556 28.262 96.852 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2cv9A1 ARG 2 HA -0.10 0.10 0.44 -0.75 4.34 4.02 2cv9A1 ARG 2 HB2 0.02 -0.08 0.22 -0.04 1.90 2.02 2cv9A1 ARG 2 HB3 0.12 0.06 0.05 -0.04 1.80 1.98 2cv9A1 ARG 2 HG2 -0.03 -0.05 0.06 -0.04 1.67 1.61 2cv9A1 ARG 2 HG3 -0.03 -0.07 0.09 -0.04 1.67 1.62 2cv9A1 ARG 2 HD2 -0.08 0.00 0.03 -0.04 3.22 3.13 2cv9A1 ARG 2 HD3 -0.12 0.16 0.07 -0.04 3.22 3.29 2cv9A1 VAL 3 H -0.19 0.58 0.35 -0.55 8.24 8.42 2cv9A1 VAL 3 HA -0.04 0.30 1.09 -0.75 4.13 4.72 2cv9A1 VAL 3 HB -0.18 -0.06 0.01 -0.04 2.12 1.84 2cv9A1 VAL 3 HG13 0.02 -0.02 -0.25 -0.04 0.97 0.68 2cv9A1 VAL 3 HG23 -0.01 -0.00 -0.18 -0.04 0.95 0.71 2cv9A1 LEU 4 H -0.20 0.64 0.37 -0.55 8.37 8.64 2cv9A1 LEU 4 HA -0.26 0.22 1.01 -0.75 4.35 4.57 2cv9A1 LEU 4 HB2 -1.32 0.06 -0.08 -0.04 1.64 0.26 2cv9A1 LEU 4 HB3 -0.47 -0.06 0.13 -0.04 1.64 1.20 2cv9A1 LEU 4 HG -1.10 0.02 -0.18 -0.04 1.64 0.34 2cv9A1 LEU 4 HD13 -0.23 -0.01 -0.21 -0.04 0.93 0.45 2cv9A1 LEU 4 HD23 -0.16 0.01 -0.32 -0.04 0.89 0.38 2cv9A1 PHE 5 H 0.05 0.61 0.24 -0.55 8.34 8.69 2cv9A1 PHE 5 HA -0.12 0.34 1.09 -0.75 4.62 5.18 2cv9A1 PHE 5 HB2 -0.02 -0.02 -0.09 -0.04 3.15 2.98 2cv9A1 PHE 5 HB3 -0.02 -0.04 0.11 -0.04 3.06 3.07 2cv9A1 PHE 5 HD2 0.04 -0.03 -0.48 -0.04 7.28 6.76 2cv9A1 PHE 5 HE2 0.19 -0.07 -0.22 -0.04 7.38 7.24 2cv9A1 PHE 5 HZ 0.11 -0.08 -0.16 -0.04 7.32 7.16 2cv9A1 ILE 6 H -0.43 0.84 0.40 -0.55 8.25 8.51 2cv9A1 ILE 6 HA -0.16 0.08 0.75 -0.75 4.18 4.09 2cv9A1 ILE 6 HB -0.28 -0.11 0.16 -0.04 1.89 1.62 2cv9A1 ILE 6 HG12 -0.20 -0.02 -0.19 -0.04 1.49 1.04 2cv9A1 ILE 6 HG13 -0.19 0.07 -0.13 -0.04 1.21 0.92 2cv9A1 ILE 6 HG23 -0.38 0.05 -0.12 -0.04 0.93 0.44 2cv9A1 ILE 6 HD13 0.01 -0.00 -0.14 -0.04 0.88 0.70 2cv9A1 GLY 7 H 0.03 0.49 0.34 -0.55 8.43 8.74 2cv9A1 GLY 7 HA2 0.35 -0.18 0.43 -0.51 4.01 4.10 2cv9A1 GLY 7 HA3 0.15 0.31 0.27 -0.51 4.01 4.23 2cv9A1 ASP 8 H 0.21 -0.11 0.15 -0.55 8.40 8.10 2cv9A1 ASP 8 HA 0.09 -0.05 0.36 -0.75 4.63 4.27 2cv9A1 ASP 8 HB2 0.17 0.04 -0.12 -0.04 2.71 2.76 2cv9A1 ASP 8 HB3 0.17 0.04 -0.09 -0.04 2.70 2.78 2cv9A1 VAL 9 H -0.02 0.45 0.13 -0.55 8.24 8.24 2cv9A1 VAL 9 HA -0.04 0.40 0.58 -0.75 4.13 4.32 2cv9A1 VAL 9 HB -0.05 -0.13 0.11 -0.04 2.12 2.01 2cv9A1 VAL 9 HG13 -0.02 -0.01 -0.16 -0.04 0.97 0.75 2cv9A1 VAL 9 HG23 -0.09 0.02 -0.08 -0.04 0.95 0.76 2cv9A1 ALA 11 HA 0.03 0.09 0.20 -0.75 4.34 3.91 2cv9A1 ALA 11 HB3 0.07 -0.01 0.04 -0.04 1.41 1.47 2cv9A1 GLU 12 H 0.04 0.12 0.13 -0.55 8.60 8.34 2cv9A1 GLU 12 HA 0.02 0.05 0.41 -0.75 4.29 4.02 2cv9A1 GLU 12 HB2 0.03 0.06 0.11 -0.04 2.09 2.24 2cv9A1 GLU 12 HB3 0.03 -0.00 0.08 -0.04 1.99 2.06 2cv9A1 GLU 12 HG2 0.03 0.02 0.06 -0.04 2.34 2.41 2cv9A1 GLU 12 HG3 0.03 -0.03 0.09 -0.04 2.34 2.39 2cv9A1 PRO 13 HA 0.06 0.04 0.43 -0.51 4.44 4.45 2cv9A1 PRO 13 HB2 0.02 -0.07 0.10 -0.04 2.28 2.28 2cv9A1 PRO 13 HB3 0.05 0.11 0.02 -0.04 2.02 2.16 2cv9A1 PRO 13 HG2 0.02 0.29 0.18 -0.04 2.03 2.47 2cv9A1 PRO 13 HG3 0.03 -0.06 0.17 -0.04 2.03 2.12 2cv9A1 PRO 13 HD2 0.02 0.19 -0.00 -0.04 3.68 3.85 2cv9A1 PRO 13 HD3 0.03 -0.00 0.18 -0.04 3.65 3.81 2cv9A1 GLY 14 H 0.02 0.26 -0.15 -0.55 8.43 8.01 2cv9A1 GLY 14 HA2 0.05 0.02 0.15 -0.51 4.01 3.72 2cv9A1 GLY 14 HA3 0.01 0.20 0.42 -0.51 4.01 4.13 2cv9A1 LEU 15 H 0.02 0.61 -0.13 -0.55 8.37 8.33 2cv9A1 LEU 15 HA 0.01 -0.01 0.32 -0.75 4.35 3.92 2cv9A1 LEU 15 HB2 0.01 0.14 0.16 -0.04 1.64 1.91 2cv9A1 LEU 15 HB3 0.01 -0.04 -0.06 -0.04 1.64 1.51 2cv9A1 LEU 15 HG -0.01 -0.06 -0.02 -0.04 1.64 1.50 2cv9A1 LEU 15 HD13 -0.03 -0.00 -0.02 -0.04 0.93 0.84 2cv9A1 LEU 15 HD23 -0.00 -0.02 -0.04 -0.04 0.89 0.78 2cv9A1 ARG 16 H 0.05 0.71 -0.11 -0.55 8.46 8.56 2cv9A1 ARG 16 HA 0.05 -0.02 0.38 -0.75 4.34 4.00 2cv9A1 ARG 16 HB2 0.06 0.04 0.10 -0.04 1.90 2.06 2cv9A1 ARG 16 HB3 0.09 0.08 0.14 -0.04 1.80 2.07 2cv9A1 ARG 16 HG2 0.09 -0.02 -0.06 -0.04 1.67 1.63 2cv9A1 ARG 16 HG3 0.06 -0.03 0.01 -0.04 1.67 1.66 2cv9A1 ARG 16 HD2 0.11 -0.01 -0.05 -0.04 3.22 3.22 2cv9A1 ARG 16 HD3 0.08 -0.02 -0.04 -0.04 3.22 3.19 2cv9A1 ALA 17 H 0.14 0.68 -0.14 -0.55 8.40 8.53 2cv9A1 ALA 17 HA 0.33 -0.05 0.30 -0.75 4.34 4.17 2cv9A1 ALA 17 HB3 0.34 0.02 -0.09 -0.04 1.41 1.64 2cv9A1 VAL 18 H 0.14 0.54 -0.15 -0.55 8.24 8.23 2cv9A1 VAL 18 HA 0.33 -0.04 0.44 -0.75 4.13 4.11 2cv9A1 VAL 18 HB 0.04 0.07 0.06 -0.04 2.12 2.25 2cv9A1 VAL 18 HG13 0.04 -0.01 -0.13 -0.04 0.97 0.83 2cv9A1 VAL 18 HG23 0.06 0.05 -0.04 -0.04 0.95 0.98 2cv9A1 GLY 19 H 0.03 0.63 -0.09 -0.55 8.43 8.46 2cv9A1 GLY 19 HA2 -0.04 0.03 0.34 -0.51 4.01 3.83 2cv9A1 GLY 19 HA3 -0.01 -0.01 0.29 -0.51 4.01 3.77 2cv9A1 LEU 20 H 0.00 0.53 -0.17 -0.55 8.37 8.18 2cv9A1 LEU 20 HA -0.05 0.06 0.55 -0.75 4.35 4.15 2cv9A1 LEU 20 HB2 0.06 0.07 0.10 -0.04 1.64 1.83 2cv9A1 LEU 20 HB3 0.02 -0.06 -0.06 -0.04 1.64 1.49 2cv9A1 LEU 20 HG 0.06 -0.05 0.00 -0.04 1.64 1.61 2cv9A1 LEU 20 HD13 0.04 0.10 -0.02 -0.04 0.93 1.01 2cv9A1 LEU 20 HD23 0.18 -0.03 -0.08 -0.04 0.89 0.92 2cv9A1 HIS 21 H -0.22 0.52 -0.06 -0.55 8.41 8.10 2cv9A1 HIS 21 HA -0.71 0.13 0.84 -0.75 4.63 4.14 2cv9A1 HIS 21 HB2 -2.02 -0.05 0.01 -0.04 3.26 1.16 2cv9A1 HIS 21 HB3 -0.98 0.06 0.06 -0.04 3.20 2.30 2cv9A1 HIS 21 HD2 -1.63 0.00 -0.20 -0.04 6.97 5.10 2cv9A1 HIS 21 HE1 -0.30 -0.00 -0.07 -0.04 7.75 7.33 2cv9A1 LEU 22 H -0.27 0.38 0.12 -0.55 8.37 8.05 2cv9A1 LEU 22 HA -0.46 -0.10 0.28 -0.75 4.35 3.32 2cv9A1 LEU 22 HB2 -0.01 -0.13 0.10 -0.04 1.64 1.56 2cv9A1 LEU 22 HB3 -0.11 0.23 0.05 -0.04 1.64 1.76 2cv9A1 LEU 22 HG -0.12 0.10 -0.17 -0.04 1.64 1.41 2cv9A1 LEU 22 HD13 -0.07 -0.04 -0.10 -0.04 0.93 0.67 2cv9A1 LEU 22 HD23 -0.06 -0.03 -0.47 -0.04 0.89 0.29 2cv9A1 PRO 23 HA -0.14 0.08 0.46 -0.51 4.44 4.33 2cv9A1 PRO 23 HB2 -0.14 0.01 -0.01 -0.04 2.28 2.10 2cv9A1 PRO 23 HB3 -0.11 -0.05 0.08 -0.04 2.02 1.91 2cv9A1 PRO 23 HG2 -0.10 0.22 0.11 -0.04 2.03 2.21 2cv9A1 PRO 23 HG3 -0.11 0.05 0.14 -0.04 2.03 2.07 2cv9A1 PRO 23 HD2 -0.21 0.02 -0.72 -0.04 3.68 2.73 2cv9A1 PRO 23 HD3 -0.15 0.23 0.05 -0.04 3.65 3.74 2cv9A1 ASP 24 H -0.35 0.41 -0.33 -0.55 8.40 7.59 2cv9A1 ASP 24 HA -0.18 0.01 0.44 -0.75 4.63 4.15 2cv9A1 ASP 24 HB2 -0.52 0.21 0.15 -0.04 2.71 2.51 2cv9A1 ASP 24 HB3 -0.23 -0.10 0.04 -0.04 2.70 2.36 2cv9A1 ILE 25 H -0.39 0.39 -0.18 -0.55 8.25 7.52 2cv9A1 ILE 25 HA -0.19 0.21 1.04 -0.75 4.18 4.48 2cv9A1 ILE 25 HB -0.13 -0.05 0.04 -0.04 1.89 1.70 2cv9A1 ILE 25 HG12 -0.12 0.11 -0.32 -0.04 1.49 1.12 2cv9A1 ILE 25 HG13 -0.25 -0.08 -0.17 -0.04 1.21 0.67 2cv9A1 ILE 25 HG23 -0.36 0.01 -0.19 -0.04 0.93 0.34 2cv9A1 ILE 25 HD13 -0.87 0.02 -0.14 -0.04 0.88 -0.15 2cv9A1 ARG 26 H -0.16 0.60 0.03 -0.55 8.46 8.37 2cv9A1 ARG 26 HA 0.05 -0.01 0.28 -0.75 4.34 3.91 2cv9A1 ARG 26 HB2 -0.09 0.18 0.10 -0.04 1.90 2.05 2cv9A1 ARG 26 HB3 -0.08 -0.04 0.10 -0.04 1.80 1.74 2cv9A1 ARG 26 HG2 -0.06 -0.01 -0.02 -0.04 1.67 1.54 2cv9A1 ARG 26 HG3 -0.03 -0.01 -0.22 -0.04 1.67 1.38 2cv9A1 ARG 26 HD2 -0.00 -0.10 0.01 -0.04 3.22 3.09 2cv9A1 ARG 26 HD3 -0.07 0.03 0.05 -0.04 3.22 3.20 2cv9A1 ASP 27 H -0.10 0.15 -0.27 -0.55 8.40 7.63 2cv9A1 ASP 27 HA -0.07 0.07 0.33 -0.75 4.63 4.21 2cv9A1 ASP 27 HB2 -0.10 0.03 -0.04 -0.04 2.71 2.55 2cv9A1 ASP 27 HB3 -0.08 -0.04 0.05 -0.04 2.70 2.59 2cv9A1 ARG 28 H -0.25 0.65 -0.57 -0.55 8.46 7.74 2cv9A1 ARG 28 HA -0.30 0.02 0.53 -0.75 4.34 3.83 2cv9A1 ARG 28 HB2 -1.17 0.09 -0.01 -0.04 1.90 0.77 2cv9A1 ARG 28 HB3 -0.66 -0.11 0.10 -0.04 1.80 1.08 2cv9A1 ARG 28 HG2 -0.22 -0.07 -0.03 -0.04 1.67 1.30 2cv9A1 ARG 28 HG3 -0.24 0.06 0.01 -0.04 1.67 1.46 2cv9A1 ARG 28 HD2 -0.20 0.01 0.01 -0.04 3.22 3.00 2cv9A1 ARG 28 HD3 -0.18 -0.07 -0.01 -0.04 3.22 2.93 2cv9A1 TYR 29 H -0.11 0.67 -0.14 -0.55 8.29 8.17 2cv9A1 TYR 29 HA -0.06 0.15 0.91 -0.75 4.56 4.80 2cv9A1 TYR 29 HB2 -0.08 0.01 -0.16 -0.04 3.06 2.79 2cv9A1 TYR 29 HB3 -0.08 0.08 -0.03 -0.04 2.98 2.91 2cv9A1 TYR 29 HD2 -0.11 0.04 -0.25 -0.04 7.15 6.79 2cv9A1 TYR 29 HE2 -0.16 -0.06 -0.20 -0.04 6.85 6.39 2cv9A1 ASP 30 H 0.08 0.60 0.33 -0.55 8.40 8.86 2cv9A1 ASP 30 HA 0.02 0.10 0.75 -0.75 4.63 4.75 2cv9A1 ASP 30 HB2 0.04 0.08 0.08 -0.04 2.71 2.87 2cv9A1 ASP 30 HB3 0.04 -0.13 0.06 -0.04 2.70 2.62 2cv9A1 LEU 31 H 0.05 0.45 0.28 -0.55 8.37 8.60 2cv9A1 LEU 31 HA -0.01 0.19 0.88 -0.75 4.35 4.66 2cv9A1 LEU 31 HB2 0.03 0.01 -0.06 -0.04 1.64 1.58 2cv9A1 LEU 31 HB3 -0.00 -0.07 -0.16 -0.04 1.64 1.36 2cv9A1 LEU 31 HG 0.03 -0.04 -0.11 -0.04 1.64 1.49 2cv9A1 LEU 31 HD13 0.03 0.03 -0.08 -0.04 0.93 0.87 2cv9A1 LEU 31 HD23 0.11 -0.03 -0.27 -0.04 0.89 0.66 2cv9A1 VAL 32 H -0.09 0.23 0.19 -0.55 8.24 8.02 2cv9A1 VAL 32 HA -0.19 0.20 1.08 -0.75 4.13 4.47 2cv9A1 VAL 32 HB -0.12 0.20 0.15 -0.04 2.12 2.31 2cv9A1 VAL 32 HG13 -0.17 -0.03 -0.24 -0.04 0.97 0.49 2cv9A1 VAL 32 HG23 -0.19 -0.00 -0.16 -0.04 0.95 0.56 2cv9A1 ILE 33 H -0.25 0.79 0.38 -0.55 8.25 8.62 2cv9A1 ILE 33 HA -0.37 0.25 1.03 -0.75 4.18 4.34 2cv9A1 ILE 33 HB -0.33 -0.05 -0.02 -0.04 1.89 1.44 2cv9A1 ILE 33 HG12 -0.30 0.07 -0.26 -0.04 1.49 0.97 2cv9A1 ILE 33 HG13 -0.16 -0.07 -0.40 -0.04 1.21 0.55 2cv9A1 ILE 33 HG23 -0.89 -0.00 -0.20 -0.04 0.93 -0.20 2cv9A1 ILE 33 HD13 -0.25 -0.00 -0.21 -0.04 0.88 0.37 2cv9A1 ALA 34 H -0.44 0.67 0.35 -0.55 8.40 8.44 2cv9A1 ALA 34 HA -0.68 0.24 0.93 -0.75 4.34 4.08 2cv9A1 ALA 34 HB3 -0.25 0.02 -0.10 -0.04 1.41 1.05 2cv9A1 ASN 35 H -0.32 0.58 0.18 -0.55 8.53 8.43 2cv9A1 ASN 35 HA -0.09 0.01 0.70 -0.75 4.76 4.64 2cv9A1 ASN 35 HB2 0.24 0.02 0.07 -0.04 2.88 3.18 2cv9A1 ASN 35 HB3 0.11 -0.03 0.21 -0.04 2.79 3.04 2cv9A1 ASN 35 HD21 -0.15 0.21 0.06 -0.04 7.03 7.11 2cv9A1 ASN 35 HD22 0.16 -0.05 -0.03 -0.04 7.74 7.78 2cv9A1 GLY 36 H -0.09 0.78 0.35 -0.55 8.43 8.93 2cv9A1 GLY 36 HA2 -0.05 0.23 0.88 -0.51 4.01 4.56 2cv9A1 GLY 36 HA3 -0.07 0.04 0.30 -0.51 4.01 3.77 2cv9A1 GLU 37 H -0.04 0.17 -0.07 -0.55 8.60 8.12 2cv9A1 GLU 37 HA -0.08 0.02 0.24 -0.75 4.29 3.72 2cv9A1 GLU 37 HB2 -0.12 0.10 -0.17 -0.04 2.09 1.86 2cv9A1 GLU 37 HB3 0.04 0.04 -0.10 -0.04 1.99 1.93 2cv9A1 GLU 37 HG2 0.08 0.07 -0.28 -0.04 2.34 2.18 2cv9A1 GLU 37 HG3 -0.09 -0.18 -0.39 -0.04 2.34 1.64 2cv9A1 ASN 38 H 0.03 0.16 -0.45 -0.55 8.53 7.72 2cv9A1 ASN 38 HA 0.03 0.08 0.61 -0.75 4.76 4.73 2cv9A1 ASN 38 HB2 0.03 0.10 -0.22 -0.04 2.88 2.75 2cv9A1 ASN 38 HB3 0.02 0.03 -0.01 -0.04 2.79 2.78 2cv9A1 ASN 38 HD21 0.38 -0.03 -0.12 -0.04 7.03 7.21 2cv9A1 ASN 38 HD22 0.18 0.03 -0.18 -0.04 7.74 7.73 2cv9A1 ALA 39 H -0.02 0.36 -0.31 -0.55 8.40 7.88 2cv9A1 ALA 39 HA -0.01 0.18 0.33 -0.75 4.34 4.09 2cv9A1 ALA 39 HB3 -0.03 -0.03 0.08 -0.04 1.41 1.39 2cv9A1 ALA 40 H -0.01 0.85 -0.28 -0.55 8.40 8.41 2cv9A1 ALA 40 HA -0.00 0.06 0.72 -0.75 4.34 4.37 2cv9A1 ALA 40 HB3 -0.02 -0.06 -0.20 -0.04 1.41 1.09 2cv9A1 ARG 41 H 0.04 0.26 0.11 -0.55 8.46 8.31 2cv9A1 ARG 41 HA 0.08 -0.05 0.37 -0.75 4.34 3.99 2cv9A1 ARG 41 HB2 0.09 0.25 -0.01 -0.04 1.90 2.20 2cv9A1 ARG 41 HB3 0.11 -0.01 0.19 -0.04 1.80 2.05 2cv9A1 ARG 41 HG2 0.07 0.01 0.02 -0.04 1.67 1.73 2cv9A1 ARG 41 HG3 0.06 -0.07 -0.05 -0.04 1.67 1.56 2cv9A1 ARG 41 HD2 0.10 -0.05 -0.26 -0.04 3.22 2.97 2cv9A1 ARG 41 HD3 0.10 0.07 -0.09 -0.04 3.22 3.27 2cv9A1 GLY 42 H 0.05 0.14 -1.04 -0.55 8.43 7.02 2cv9A1 GLY 42 HA2 0.04 0.18 0.28 -0.51 4.01 4.00 2cv9A1 GLY 42 HA3 0.16 0.11 0.81 -0.51 4.01 4.58 2cv9A1 LYS 43 H 0.01 0.50 -0.20 -0.55 8.42 8.17 2cv9A1 LYS 43 HA -0.14 0.15 0.98 -0.75 4.32 4.55 2cv9A1 LYS 43 HB2 -0.07 -0.01 -0.01 -0.04 1.87 1.73 2cv9A1 LYS 43 HB3 -0.10 -0.06 0.02 -0.04 1.79 1.62 2cv9A1 LYS 43 HG2 -0.49 0.08 -0.25 -0.04 1.46 0.76 2cv9A1 LYS 43 HG3 -0.26 -0.05 -0.05 -0.04 1.46 1.06 2cv9A1 LYS 43 HD2 -0.65 0.04 0.16 -0.04 1.69 1.21 2cv9A1 LYS 43 HD3 -1.15 -0.00 0.02 -0.04 1.68 0.51 2cv9A1 LYS 43 HE2 -0.25 0.00 0.00 -0.04 2.99 2.70 2cv9A1 LYS 43 HE3 -0.16 -0.04 -0.01 -0.04 2.99 2.74 2cv9A1 GLY 44 H -0.00 0.43 0.24 -0.55 8.43 8.56 2cv9A1 GLY 44 HA2 -0.05 0.20 0.42 -0.51 4.01 4.07 2cv9A1 GLY 44 HA3 0.02 -0.06 0.67 -0.51 4.01 4.12 2cv9A1 LEU 45 H -0.08 0.27 0.16 -0.55 8.37 8.17 2cv9A1 LEU 45 HA -0.08 0.03 0.78 -0.75 4.35 4.34 2cv9A1 LEU 45 HB2 -0.11 0.09 -0.19 -0.04 1.64 1.40 2cv9A1 LEU 45 HB3 -0.14 0.00 0.08 -0.04 1.64 1.54 2cv9A1 LEU 45 HG -0.08 0.03 -0.14 -0.04 1.64 1.41 2cv9A1 LEU 45 HD13 -0.10 0.01 -0.19 -0.04 0.93 0.62 2cv9A1 LEU 45 HD23 -0.01 -0.00 -0.06 -0.04 0.89 0.77 2cv9A1 ASP 46 H -0.14 0.06 0.05 -0.55 8.40 7.83 2cv9A1 ASP 46 HA -0.32 0.26 0.86 -0.75 4.63 4.68 2cv9A1 ASP 46 HB2 -0.44 -0.08 0.17 -0.04 2.71 2.32 2cv9A1 ASP 46 HB3 -1.12 0.11 -0.02 -0.04 2.70 1.63 2cv9A1 ARG 47 H -0.12 0.17 0.12 -0.55 8.46 8.08 2cv9A1 ARG 47 HA 0.02 0.17 0.42 -0.75 4.34 4.19 2cv9A1 ARG 47 HB2 -0.01 -0.05 0.15 -0.04 1.90 1.94 2cv9A1 ARG 47 HB3 0.02 0.08 -0.02 -0.04 1.80 1.84 2cv9A1 ARG 47 HG2 -0.01 0.07 0.03 -0.04 1.67 1.72 2cv9A1 ARG 47 HG3 -0.01 -0.03 0.07 -0.04 1.67 1.66 2cv9A1 ARG 47 HD2 0.02 0.03 -0.00 -0.04 3.22 3.23 2cv9A1 ARG 47 HD3 0.01 0.05 0.01 -0.04 3.22 3.24 2cv9A1 ARG 48 H -0.04 0.05 -0.10 -0.55 8.46 7.81 2cv9A1 ARG 48 HA -0.01 0.15 0.36 -0.75 4.34 4.08 2cv9A1 ARG 48 HB2 -0.01 0.03 0.06 -0.04 1.90 1.94 2cv9A1 ARG 48 HB3 -0.03 -0.08 0.05 -0.04 1.80 1.70 2cv9A1 ARG 48 HG2 -0.02 0.04 -0.31 -0.04 1.67 1.34 2cv9A1 ARG 48 HG3 -0.01 0.04 -0.02 -0.04 1.67 1.64 2cv9A1 ARG 48 HD2 0.00 0.01 -0.02 -0.04 3.22 3.17 2cv9A1 ARG 48 HD3 -0.00 -0.03 -0.04 -0.04 3.22 3.11 2cv9A1 SER 49 H -0.04 -0.04 -0.28 -0.55 8.46 7.56 2cv9A1 SER 49 HA -0.03 0.12 0.32 -0.75 4.49 4.15 2cv9A1 SER 49 HB2 -0.04 -0.09 0.04 -0.04 3.95 3.83 2cv9A1 SER 49 HB3 -0.03 0.11 -0.11 -0.04 3.93 3.86 2cv9A1 TYR 50 H 0.07 0.44 -0.17 -0.55 8.29 8.08 2cv9A1 TYR 50 HA -0.10 0.05 0.37 -0.75 4.56 4.13 2cv9A1 TYR 50 HB2 -0.11 -0.02 -0.01 -0.04 3.06 2.88 2cv9A1 TYR 50 HB3 -0.09 0.05 0.09 -0.04 2.98 2.99 2cv9A1 TYR 50 HD2 -0.11 -0.02 -0.09 -0.04 7.15 6.89 2cv9A1 TYR 50 HE2 -0.12 0.07 -0.10 -0.04 6.85 6.66 2cv9A1 ARG 51 H 0.03 0.56 -0.13 -0.55 8.46 8.37 2cv9A1 ARG 51 HA -0.31 0.04 0.35 -0.75 4.34 3.67 2cv9A1 ARG 51 HB2 -0.03 0.05 0.11 -0.04 1.90 1.98 2cv9A1 ARG 51 HB3 -0.06 -0.03 0.02 -0.04 1.80 1.69 2cv9A1 ARG 51 HG2 0.06 -0.03 0.03 -0.04 1.67 1.70 2cv9A1 ARG 51 HG3 0.08 0.30 0.10 -0.04 1.67 2.11 2cv9A1 ARG 51 HD2 -0.00 -0.02 -0.05 -0.04 3.22 3.11 2cv9A1 ARG 51 HD3 0.01 0.01 -0.02 -0.04 3.22 3.18 2cv9A1 LEU 52 H -0.09 0.44 -0.33 -0.55 8.37 7.84 2cv9A1 LEU 52 HA -0.08 0.02 0.43 -0.75 4.35 3.96 2cv9A1 LEU 52 HB2 -0.06 0.11 0.18 -0.04 1.64 1.84 2cv9A1 LEU 52 HB3 -0.05 -0.02 -0.04 -0.04 1.64 1.49 2cv9A1 LEU 52 HG -0.04 0.05 0.03 -0.04 1.64 1.64 2cv9A1 LEU 52 HD13 -0.02 -0.04 -0.10 -0.04 0.93 0.73 2cv9A1 LEU 52 HD23 -0.03 -0.01 -0.02 -0.04 0.89 0.79 2cv9A1 LEU 53 H -0.14 0.53 -0.05 -0.55 8.37 8.16 2cv9A1 LEU 53 HA -0.11 0.01 0.39 -0.75 4.35 3.89 2cv9A1 LEU 53 HB2 -0.19 0.10 0.13 -0.04 1.64 1.64 2cv9A1 LEU 53 HB3 -0.16 -0.04 -0.06 -0.04 1.64 1.35 2cv9A1 LEU 53 HG -0.08 0.10 0.03 -0.04 1.64 1.65 2cv9A1 LEU 53 HD13 -0.08 -0.03 -0.11 -0.04 0.93 0.68 2cv9A1 LEU 53 HD23 -0.07 -0.01 -0.07 -0.04 0.89 0.70 2cv9A1 ARG 54 H -0.37 0.60 -0.13 -0.55 8.46 8.00 2cv9A1 ARG 54 HA -0.24 0.30 0.48 -0.75 4.34 4.11 2cv9A1 ARG 54 HB2 -0.39 0.03 0.12 -0.04 1.90 1.61 2cv9A1 ARG 54 HB3 -0.27 -0.03 0.01 -0.04 1.80 1.47 2cv9A1 ARG 54 HG2 -1.05 0.07 -0.00 -0.04 1.67 0.65 2cv9A1 ARG 54 HG3 -1.14 -0.11 -0.06 -0.04 1.67 0.32 2cv9A1 ARG 54 HD2 -0.27 0.45 0.08 -0.04 3.22 3.44 2cv9A1 ARG 54 HD3 -0.27 -0.08 -0.11 -0.04 3.22 2.72 2cv9A1 GLU 55 H -0.17 0.49 -0.18 -0.55 8.60 8.19 2cv9A1 GLU 55 HA -0.10 0.00 0.39 -0.75 4.29 3.83 2cv9A1 GLU 55 HB2 -0.09 0.10 0.16 -0.04 2.09 2.22 2cv9A1 GLU 55 HB3 -0.07 -0.06 0.02 -0.04 1.99 1.84 2cv9A1 GLU 55 HG2 -0.07 -0.08 0.04 -0.04 2.34 2.18 2cv9A1 GLU 55 HG3 -0.11 0.28 0.13 -0.04 2.34 2.60 2cv9A1 ALA 56 H -0.11 0.35 -0.34 -0.55 8.40 7.76 2cv9A1 ALA 56 HA -0.09 0.08 0.49 -0.75 4.34 4.07 2cv9A1 ALA 56 HB3 -0.07 0.01 -0.04 -0.04 1.41 1.26 2cv9A1 GLY 57 H -0.11 0.30 -0.40 -0.55 8.43 7.67 2cv9A1 GLY 57 HA2 -0.09 0.03 0.16 -0.51 4.01 3.60 2cv9A1 GLY 57 HA3 -0.09 0.15 0.84 -0.51 4.01 4.40 2cv9A1 VAL 58 H -0.13 0.42 0.13 -0.55 8.24 8.10 2cv9A1 VAL 58 HA -0.15 0.05 0.59 -0.75 4.13 3.87 2cv9A1 VAL 58 HB -0.18 0.01 -0.30 -0.04 2.12 1.60 2cv9A1 VAL 58 HG13 -0.21 -0.04 -0.32 -0.04 0.97 0.36 2cv9A1 VAL 58 HG23 -0.13 -0.02 -0.16 -0.04 0.95 0.60 2cv9A1 ASP 59 H -0.16 0.44 0.35 -0.55 8.40 8.49 2cv9A1 ASP 59 HA -0.13 0.13 0.66 -0.75 4.63 4.54 2cv9A1 ASP 59 HB2 -0.12 0.02 0.19 -0.04 2.71 2.76 2cv9A1 ASP 59 HB3 -0.08 -0.05 0.08 -0.04 2.70 2.61 2cv9A1 LEU 60 H -0.25 0.28 0.18 -0.55 8.37 8.02 2cv9A1 LEU 60 HA -0.39 0.31 0.78 -0.75 4.35 4.30 2cv9A1 LEU 60 HB2 -0.42 0.07 -0.24 -0.04 1.64 1.02 2cv9A1 LEU 60 HB3 -0.39 -0.09 -0.02 -0.04 1.64 1.09 2cv9A1 LEU 60 HG -0.47 -0.06 -0.45 -0.04 1.64 0.62 2cv9A1 LEU 60 HD13 -0.79 0.06 -0.28 -0.04 0.93 -0.12 2cv9A1 LEU 60 HD23 -0.27 -0.02 -0.23 -0.04 0.89 0.33 2cv9A1 VAL 61 H -0.27 0.66 0.25 -0.55 8.24 8.33 2cv9A1 VAL 61 HA -0.24 0.35 1.12 -0.75 4.13 4.61 2cv9A1 VAL 61 HB -0.07 0.03 0.13 -0.04 2.12 2.17 2cv9A1 VAL 61 HG13 -0.10 -0.02 -0.12 -0.04 0.97 0.70 2cv9A1 VAL 61 HG23 -0.08 -0.00 -0.14 -0.04 0.95 0.68 2cv9A1 SER 62 H -0.17 0.42 0.32 -0.55 8.46 8.47 2cv9A1 SER 62 HA -0.01 0.30 0.90 -0.75 4.49 4.92 2cv9A1 SER 62 HB2 0.19 -0.01 -0.03 -0.04 3.95 4.07 2cv9A1 SER 62 HB3 0.15 0.02 -0.15 -0.04 3.93 3.91 2cv9A1 LEU 63 H -0.06 0.32 0.15 -0.55 8.37 8.24 2cv9A1 LEU 63 HA -0.15 0.05 0.97 -0.75 4.35 4.46 2cv9A1 LEU 63 HB2 -0.23 0.11 0.28 -0.04 1.64 1.76 2cv9A1 LEU 63 HB3 -0.30 -0.12 0.24 -0.04 1.64 1.42 2cv9A1 LEU 63 HG -0.38 0.01 -0.01 -0.04 1.64 1.22 2cv9A1 LEU 63 HD13 -0.17 0.01 -0.36 -0.04 0.93 0.37 2cv9A1 LEU 63 HD23 -0.21 0.05 -0.26 -0.04 0.89 0.43 2cv9A1 GLY 64 H -0.23 0.32 0.26 -0.55 8.43 8.24 2cv9A1 GLY 64 HA2 -0.23 0.13 0.31 -0.51 4.01 3.72 2cv9A1 GLY 64 HA3 -0.60 0.12 0.69 -0.51 4.01 3.72 2cv9A1 ASN 65 H -0.02 0.24 0.11 -0.55 8.53 8.32 2cv9A1 ASN 65 HA 0.21 0.16 0.47 -0.75 4.76 4.85 2cv9A1 ASN 65 HB2 0.10 0.08 0.13 -0.04 2.88 3.14 2cv9A1 ASN 65 HB3 -0.00 0.10 0.10 -0.04 2.79 2.94 2cv9A1 ASN 65 HD21 -0.11 0.04 -0.03 -0.04 7.03 6.89 2cv9A1 ASN 65 HD22 -0.20 0.01 0.03 -0.04 7.74 7.54 2cv9A1 HIS 66 H 0.01 0.05 -0.38 -0.55 8.41 7.54 2cv9A1 HIS 66 HA 0.03 0.23 0.77 -0.75 4.63 4.91 2cv9A1 HIS 66 HB2 0.01 -0.02 -0.05 -0.04 3.26 3.17 2cv9A1 HIS 66 HB3 -0.02 -0.05 0.20 -0.04 3.20 3.29 2cv9A1 HIS 66 HD2 0.08 0.11 -0.19 -0.04 6.97 6.93 2cv9A1 HIS 66 HE1 0.02 0.05 -0.02 -0.04 7.75 7.76 2cv9A1 ALA 67 H -0.28 0.39 -0.32 -0.55 8.40 7.65 2cv9A1 ALA 67 HA -0.37 0.02 0.40 -0.75 4.34 3.64 2cv9A1 ALA 67 HB3 -1.07 -0.02 0.12 -0.04 1.41 0.40 2cv9A1 TRP 68 H -0.37 0.16 -0.36 -0.55 7.97 6.85 2cv9A1 TRP 68 HA -0.14 0.19 0.67 -0.75 4.62 4.59 2cv9A1 TRP 68 HB2 0.06 0.05 -0.06 -0.04 3.23 3.24 2cv9A1 TRP 68 HB3 0.11 0.00 0.05 -0.04 3.23 3.36 2cv9A1 TRP 68 HD1 0.08 0.09 -0.02 -0.04 7.22 7.32 2cv9A1 TRP 68 HE1 -0.04 0.05 -0.01 -0.04 10.20 10.17 2cv9A1 TRP 68 HE3 -0.31 -0.04 -0.12 -0.04 7.59 7.08 2cv9A1 TRP 68 HZ2 -1.05 0.04 -0.04 -0.04 7.44 6.35 2cv9A1 TRP 68 HZ3 -0.14 -0.02 -0.13 -0.04 7.13 6.81 2cv9A1 TRP 68 HH2 -0.22 0.26 -0.09 -0.04 7.19 7.10 2cv9A1 ASP 69 H 0.02 0.33 -0.36 -0.55 8.40 7.85 2cv9A1 ASP 69 HA 0.09 0.05 0.28 -0.75 4.63 4.30 2cv9A1 ASP 69 HB2 -0.03 -0.01 0.00 -0.04 2.71 2.64 2cv9A1 ASP 69 HB3 0.01 0.01 -0.38 -0.04 2.70 2.31 2cv9A1 HIS 70 H 0.09 0.11 -0.16 -0.55 8.41 7.91 2cv9A1 HIS 70 HA 0.04 0.17 0.90 -0.75 4.63 4.99 2cv9A1 HIS 70 HB2 -0.01 0.21 -0.01 -0.04 3.26 3.41 2cv9A1 HIS 70 HB3 -0.03 0.01 0.01 -0.04 3.20 3.16 2cv9A1 HIS 70 HD2 0.01 0.13 -0.06 -0.04 6.97 7.01 2cv9A1 HIS 70 HE1 0.03 0.02 0.03 -0.04 7.75 7.78 2cv9A1 LYS 71 H 0.01 0.23 0.14 -0.55 8.42 8.25 2cv9A1 LYS 71 HA 0.41 0.15 0.37 -0.75 4.32 4.50 2cv9A1 LYS 71 HB2 0.22 0.00 0.15 -0.04 1.87 2.19 2cv9A1 LYS 71 HB3 0.17 0.11 0.13 -0.04 1.79 2.16 2cv9A1 LYS 71 HG2 0.04 0.05 0.05 -0.04 1.46 1.56 2cv9A1 LYS 71 HG3 -0.02 -0.04 0.12 -0.04 1.46 1.48 2cv9A1 LYS 71 HD2 0.18 -0.01 -0.47 -0.04 1.69 1.36 2cv9A1 LYS 71 HD3 0.11 0.02 -0.14 -0.04 1.68 1.63 2cv9A1 LYS 71 HE2 0.04 0.05 -0.01 -0.04 2.99 3.02 2cv9A1 LYS 71 HE3 0.06 -0.02 -0.01 -0.04 2.99 2.98 2cv9A1 GLU 72 H 0.61 0.08 -0.42 -0.55 8.60 8.32 2cv9A1 GLU 72 HA 0.14 0.11 0.53 -0.75 4.29 4.31 2cv9A1 GLU 72 HB2 -0.08 0.02 0.11 -0.04 2.09 2.10 2cv9A1 GLU 72 HB3 -0.01 -0.03 0.14 -0.04 1.99 2.04 2cv9A1 GLU 72 HG2 0.12 0.08 0.05 -0.04 2.34 2.55 2cv9A1 GLU 72 HG3 0.38 0.01 0.03 -0.04 2.34 2.72 2cv9A1 VAL 73 H -0.01 0.46 -0.26 -0.55 8.24 7.88 2cv9A1 VAL 73 HA -0.15 0.05 0.45 -0.75 4.13 3.73 2cv9A1 VAL 73 HB -0.32 -0.02 -0.03 -0.04 2.12 1.71 2cv9A1 VAL 73 HG13 -0.19 0.05 0.17 -0.04 0.97 0.96 2cv9A1 VAL 73 HG23 -0.48 0.20 0.10 -0.04 0.95 0.73 2cv9A1 TYR 74 H -0.03 0.31 -0.18 -0.55 8.29 7.84 2cv9A1 TYR 74 HA 0.09 0.10 0.38 -0.75 4.56 4.37 2cv9A1 TYR 74 HB2 0.05 0.04 0.12 -0.04 3.06 3.23 2cv9A1 TYR 74 HB3 0.06 0.02 0.03 -0.04 2.98 3.05 2cv9A1 TYR 74 HD2 0.12 0.14 0.11 -0.04 7.15 7.48 2cv9A1 TYR 74 HE2 0.10 0.02 -0.01 -0.04 6.85 6.92 2cv9A1 ALA 75 H 0.11 0.17 -0.21 -0.55 8.40 7.92 2cv9A1 ALA 75 HA 0.05 0.09 0.46 -0.75 4.34 4.19 2cv9A1 ALA 75 HB3 0.03 0.02 0.07 -0.04 1.41 1.49 2cv9A1 LEU 76 H -0.06 0.22 -0.27 -0.55 8.37 7.71 2cv9A1 LEU 76 HA -0.18 0.01 0.39 -0.75 4.35 3.81 2cv9A1 LEU 76 HB2 -0.21 0.14 0.10 -0.04 1.64 1.63 2cv9A1 LEU 76 HB3 -0.44 -0.01 -0.06 -0.04 1.64 1.10 2cv9A1 LEU 76 HG -0.14 0.14 0.03 -0.04 1.64 1.63 2cv9A1 LEU 76 HD13 -0.20 -0.04 -0.31 -0.04 0.93 0.34 2cv9A1 LEU 76 HD23 -0.39 -0.02 -0.06 -0.04 0.89 0.38 2cv9A1 LEU 77 H -0.07 0.57 -0.20 -0.55 8.37 8.13 2cv9A1 LEU 77 HA -0.06 0.10 0.42 -0.75 4.35 4.05 2cv9A1 LEU 77 HB2 0.01 0.10 0.12 -0.04 1.64 1.83 2cv9A1 LEU 77 HB3 0.06 -0.08 -0.06 -0.04 1.64 1.52 2cv9A1 LEU 77 HG 0.01 -0.02 -0.07 -0.04 1.64 1.52 2cv9A1 LEU 77 HD13 -0.17 0.01 -0.16 -0.04 0.93 0.57 2cv9A1 LEU 77 HD23 -0.02 -0.03 -0.27 -0.04 0.89 0.53 2cv9A1 GLU 78 H 0.02 0.27 -0.34 -0.55 8.60 8.00 2cv9A1 GLU 78 HA 0.05 0.11 0.69 -0.75 4.29 4.39 2cv9A1 GLU 78 HB2 0.04 -0.04 0.10 -0.04 2.09 2.15 2cv9A1 GLU 78 HB3 0.05 -0.05 0.10 -0.04 1.99 2.05 2cv9A1 GLU 78 HG2 0.04 0.14 0.25 -0.04 2.34 2.72 2cv9A1 GLU 78 HG3 0.02 0.01 0.06 -0.04 2.34 2.39 2cv9A1 SER 79 H -0.00 0.15 -0.14 -0.55 8.46 7.93 2cv9A1 SER 79 HA 0.08 0.23 1.05 -0.75 4.49 5.10 2cv9A1 SER 79 HB2 0.04 -0.04 0.08 -0.04 3.95 3.99 2cv9A1 SER 79 HB3 0.03 -0.04 -0.15 -0.04 3.93 3.73 2cv9A1 GLU 80 H -0.07 0.50 0.21 -0.55 8.60 8.70 2cv9A1 GLU 80 HA 0.01 0.20 0.91 -0.75 4.29 4.65 2cv9A1 GLU 80 HB2 -0.46 0.07 0.04 -0.04 2.09 1.70 2cv9A1 GLU 80 HB3 -0.37 0.03 0.03 -0.04 1.99 1.64 2cv9A1 GLU 80 HG2 -0.21 -0.05 0.03 -0.04 2.34 2.07 2cv9A1 GLU 80 HG3 -0.61 -0.09 -0.02 -0.04 2.34 1.58 2cv9A1 PRO 81 HA -2.00 0.10 0.50 -0.51 4.44 2.52 2cv9A1 PRO 81 HB2 -0.39 0.01 0.35 -0.04 2.28 2.20 2cv9A1 PRO 81 HB3 -0.91 0.03 0.22 -0.04 2.02 1.31 2cv9A1 PRO 81 HG2 -0.09 0.09 0.16 -0.04 2.03 2.15 2cv9A1 PRO 81 HG3 -0.06 0.03 0.10 -0.04 2.03 2.06 2cv9A1 PRO 81 HD2 0.11 0.05 0.16 -0.04 3.68 3.96 2cv9A1 PRO 81 HD3 0.04 0.13 0.25 -0.04 3.65 4.03 2cv9A1 VAL 82 H -0.38 0.64 0.21 -0.55 8.24 8.16 2cv9A1 VAL 82 HA -0.25 0.26 0.90 -0.75 4.13 4.29 2cv9A1 VAL 82 HB -0.21 0.06 -0.13 -0.04 2.12 1.80 2cv9A1 VAL 82 HG13 -0.18 -0.02 -0.22 -0.04 0.97 0.50 2cv9A1 VAL 82 HG23 -0.32 -0.05 -0.39 -0.04 0.95 0.14 2cv9A1 VAL 83 H -0.09 0.54 0.30 -0.55 8.24 8.45 2cv9A1 VAL 83 HA 0.06 0.32 1.06 -0.75 4.13 4.81 2cv9A1 VAL 83 HB 0.19 0.14 -0.17 -0.04 2.12 2.24 2cv9A1 VAL 83 HG13 0.25 -0.02 -0.44 -0.04 0.97 0.72 2cv9A1 VAL 83 HG23 0.28 -0.05 -0.22 -0.04 0.95 0.93 2cv9A1 ARG 84 H 0.08 0.70 0.26 -0.55 8.46 8.95 2cv9A1 ARG 84 HA -0.04 -0.11 0.82 -0.75 4.34 4.26 2cv9A1 ARG 84 HB2 0.04 0.02 0.08 -0.04 1.90 2.00 2cv9A1 ARG 84 HB3 -0.25 -0.09 -0.02 -0.04 1.80 1.39 2cv9A1 ARG 84 HG2 0.16 0.10 -0.10 -0.04 1.67 1.79 2cv9A1 ARG 84 HG3 0.08 0.02 -0.05 -0.04 1.67 1.68 2cv9A1 ARG 84 HD2 0.21 -0.10 -0.59 -0.04 3.22 2.70 2cv9A1 ARG 84 HD3 0.29 -0.04 -0.23 -0.04 3.22 3.20 2cv9A1 PRO 85 HA 0.10 0.11 0.31 -0.51 4.44 4.45 2cv9A1 PRO 85 HB2 0.16 0.04 0.03 -0.04 2.28 2.47 2cv9A1 PRO 85 HB3 0.02 -0.05 0.03 -0.04 2.02 1.97 2cv9A1 PRO 85 HG2 0.13 0.06 -0.04 -0.04 2.03 2.14 2cv9A1 PRO 85 HG3 0.03 0.02 -0.03 -0.04 2.03 2.01 2cv9A1 PRO 85 HD2 0.37 0.19 0.17 -0.04 3.68 4.36 2cv9A1 PRO 85 HD3 0.02 -0.06 0.18 -0.04 3.65 3.76 2cv9A1 LEU 86 H 0.09 0.69 0.46 -0.55 8.37 9.06 2cv9A1 LEU 86 HA 0.17 0.03 0.50 -0.75 4.35 4.30 2cv9A1 LEU 86 HB2 0.11 0.21 0.23 -0.04 1.64 2.15 2cv9A1 LEU 86 HB3 0.05 -0.12 0.17 -0.04 1.64 1.70 2cv9A1 LEU 86 HG 0.06 -0.01 -0.20 -0.04 1.64 1.45 2cv9A1 LEU 86 HD13 0.15 -0.00 -0.01 -0.04 0.93 1.02 2cv9A1 LEU 86 HD23 -0.00 -0.00 -0.15 -0.04 0.89 0.69 2cv9A1 ASN 87 H 0.04 -0.04 -0.10 -0.55 8.53 7.88 2cv9A1 ASN 87 HA 0.01 0.01 0.23 -0.75 4.76 4.26 2cv9A1 ASN 87 HB2 -0.04 -0.19 0.12 -0.04 2.88 2.74 2cv9A1 ASN 87 HB3 -0.13 0.07 -0.09 -0.04 2.79 2.60 2cv9A1 ASN 87 HD21 -0.06 0.02 -0.08 -0.04 7.03 6.86 2cv9A1 ASN 87 HD22 -0.13 0.05 -0.05 -0.04 7.74 7.58 2cv9A1 TYR 88 H 0.22 0.28 -0.60 -0.55 8.29 7.63 2cv9A1 TYR 88 HA 0.08 -0.04 0.36 -0.75 4.56 4.21 2cv9A1 TYR 88 HB2 0.15 0.18 -0.00 -0.04 3.06 3.35 2cv9A1 TYR 88 HB3 0.11 0.08 -0.02 -0.04 2.98 3.11 2cv9A1 TYR 88 HD2 0.14 0.11 0.03 -0.04 7.15 7.39 2cv9A1 TYR 88 HE2 0.19 -0.05 -0.02 -0.04 6.85 6.93 2cv9A1 PRO 89 HA 0.08 0.10 0.58 -0.51 4.44 4.69 2cv9A1 PRO 89 HB2 0.05 0.08 0.06 -0.04 2.28 2.42 2cv9A1 PRO 89 HB3 0.06 -0.05 0.12 -0.04 2.02 2.11 2cv9A1 PRO 89 HG2 0.09 0.07 0.01 -0.04 2.03 2.15 2cv9A1 PRO 89 HG3 0.09 0.01 0.07 -0.04 2.03 2.15 2cv9A1 PRO 89 HD2 0.50 0.06 0.19 -0.04 3.68 4.39 2cv9A1 PRO 89 HD3 0.16 0.09 0.21 -0.04 3.65 4.07 2cv9A1 PRO 90 HA 0.06 0.04 0.42 -0.51 4.44 4.45 2cv9A1 PRO 90 HB2 0.03 -0.00 0.03 -0.04 2.28 2.29 2cv9A1 PRO 90 HB3 0.03 0.00 0.11 -0.04 2.02 2.12 2cv9A1 PRO 90 HG2 0.03 -0.00 0.09 -0.04 2.03 2.11 2cv9A1 PRO 90 HG3 0.04 0.07 0.11 -0.04 2.03 2.22 2cv9A1 PRO 90 HD2 0.04 0.07 0.19 -0.04 3.68 3.93 2cv9A1 PRO 90 HD3 0.05 0.14 0.25 -0.04 3.65 4.04 2cv9A1 GLY 91 H 0.04 0.13 0.16 -0.55 8.43 8.21 2cv9A1 GLY 91 HA2 0.01 -0.04 0.31 -0.51 4.01 3.78 2cv9A1 GLY 91 HA3 -0.00 0.09 0.56 -0.51 4.01 4.15 2cv9A1 THR 92 H 0.04 0.18 -0.18 -0.55 8.28 7.76 2cv9A1 THR 92 HA -0.11 0.07 0.61 -0.75 4.39 4.20 2cv9A1 THR 92 HB 0.09 0.01 -0.00 -0.04 4.32 4.38 2cv9A1 THR 92 HG23 -0.12 0.03 -0.14 -0.04 1.22 0.94 2cv9A1 PRO 93 HA 0.09 0.03 0.41 -0.51 4.44 4.47 2cv9A1 PRO 93 HB2 0.30 -0.00 -0.02 -0.04 2.28 2.52 2cv9A1 PRO 93 HB3 0.16 -0.01 0.10 -0.04 2.02 2.23 2cv9A1 PRO 93 HG2 0.22 -0.01 0.04 -0.04 2.03 2.24 2cv9A1 PRO 93 HG3 0.19 -0.02 0.07 -0.04 2.03 2.23 2cv9A1 PRO 93 HD2 -0.26 0.05 0.24 -0.04 3.68 3.67 2cv9A1 PRO 93 HD3 -0.06 0.20 0.20 -0.04 3.65 3.95 2cv9A1 GLY 94 H 0.11 0.02 0.09 -0.55 8.43 8.10 2cv9A1 GLY 94 HA2 0.09 0.15 0.37 -0.51 4.01 4.10 2cv9A1 GLY 94 HA3 0.10 0.05 0.42 -0.51 4.01 4.07 2cv9A1 LYS 95 H 0.10 0.23 0.28 -0.55 8.42 8.48 2cv9A1 LYS 95 HA 0.06 0.15 0.83 -0.75 4.32 4.61 2cv9A1 LYS 95 HB2 0.12 0.09 0.20 -0.04 1.87 2.24 2cv9A1 LYS 95 HB3 -0.19 -0.05 0.21 -0.04 1.79 1.72 2cv9A1 LYS 95 HG2 -0.07 -0.02 0.02 -0.04 1.46 1.35 2cv9A1 LYS 95 HG3 0.04 -0.04 -0.00 -0.04 1.46 1.42 2cv9A1 LYS 95 HD2 0.10 0.07 0.09 -0.04 1.69 1.90 2cv9A1 LYS 95 HD3 -0.34 -0.02 0.08 -0.04 1.68 1.35 2cv9A1 LYS 95 HE2 -0.12 -0.06 0.02 -0.04 2.99 2.80 2cv9A1 LYS 95 HE3 0.00 0.07 0.04 -0.04 2.99 3.05 2cv9A1 GLY 96 H 0.16 0.12 0.20 -0.55 8.43 8.36 2cv9A1 GLY 96 HA2 0.18 0.45 0.73 -0.51 4.01 4.86 2cv9A1 GLY 96 HA3 0.23 -0.01 0.32 -0.51 4.01 4.03 2cv9A1 PHE 97 H -0.00 0.19 0.07 -0.55 8.34 8.05 2cv9A1 PHE 97 HA 0.17 0.15 0.74 -0.75 4.62 4.93 2cv9A1 PHE 97 HB2 0.09 0.11 0.11 -0.04 3.15 3.41 2cv9A1 PHE 97 HB3 0.06 -0.01 -0.15 -0.04 3.06 2.92 2cv9A1 PHE 97 HD2 0.06 -0.05 -0.16 -0.04 7.28 7.10 2cv9A1 PHE 97 HE2 -0.00 0.00 -0.06 -0.04 7.38 7.27 2cv9A1 PHE 97 HZ -0.02 0.01 -0.05 -0.04 7.32 7.22 2cv9A1 TRP 98 H 0.51 0.62 0.31 -0.55 7.97 8.86 2cv9A1 TRP 98 HA -0.13 0.09 0.66 -0.75 4.62 4.48 2cv9A1 TRP 98 HB2 0.03 0.08 -0.43 -0.04 3.23 2.87 2cv9A1 TRP 98 HB3 0.16 -0.07 -0.14 -0.04 3.23 3.14 2cv9A1 TRP 98 HD1 0.06 -0.09 -0.62 -0.04 7.22 6.52 2cv9A1 TRP 98 HE1 0.01 0.02 -0.03 -0.04 10.20 10.16 2cv9A1 TRP 98 HE3 -0.08 0.06 -0.02 -0.04 7.59 7.51 2cv9A1 TRP 98 HZ2 -0.01 -0.00 -0.01 -0.04 7.44 7.38 2cv9A1 TRP 98 HZ3 -0.06 0.12 0.03 -0.04 7.13 7.17 2cv9A1 TRP 98 HH2 -0.03 0.06 -0.24 -0.04 7.19 6.94 2cv9A1 ARG 99 H -0.46 0.20 0.15 -0.55 8.46 7.79 2cv9A1 ARG 99 HA 0.22 0.29 1.08 -0.75 4.34 5.18 2cv9A1 ARG 99 HB2 0.09 -0.00 0.02 -0.04 1.90 1.97 2cv9A1 ARG 99 HB3 -0.11 -0.03 0.16 -0.04 1.80 1.78 2cv9A1 ARG 99 HG2 0.04 -0.03 -0.30 -0.04 1.67 1.35 2cv9A1 ARG 99 HG3 0.09 0.04 -0.04 -0.04 1.67 1.73 2cv9A1 ARG 99 HD2 -0.00 -0.03 -0.01 -0.04 3.22 3.13 2cv9A1 ARG 99 HD3 0.02 -0.02 -0.05 -0.04 3.22 3.13 2cv9A1 LEU 100 H 0.26 0.62 0.36 -0.55 8.37 9.06 2cv9A1 LEU 100 HA 0.28 0.17 0.84 -0.75 4.35 4.89 2cv9A1 LEU 100 HB2 0.21 -0.03 0.03 -0.04 1.64 1.80 2cv9A1 LEU 100 HB3 0.15 0.04 -0.03 -0.04 1.64 1.76 2cv9A1 LEU 100 HG 0.34 -0.02 -0.26 -0.04 1.64 1.65 2cv9A1 LEU 100 HD13 0.03 -0.01 -0.16 -0.04 0.93 0.74 2cv9A1 LEU 100 HD23 0.17 0.04 -0.08 -0.04 0.89 0.97 2cv9A1 GLU 101 H 0.13 0.24 0.16 -0.55 8.60 8.58 2cv9A1 GLU 101 HA 0.10 0.26 1.01 -0.75 4.29 4.91 2cv9A1 GLU 101 HB2 0.07 0.00 -0.10 -0.04 2.09 2.03 2cv9A1 GLU 101 HB3 0.07 -0.02 0.06 -0.04 1.99 2.06 2cv9A1 GLU 101 HG2 0.04 -0.05 -0.06 -0.04 2.34 2.23 2cv9A1 GLU 101 HG3 0.06 -0.04 -0.12 -0.04 2.34 2.20 2cv9A1 VAL 102 H 0.10 0.76 0.15 -0.55 8.24 8.70 2cv9A1 VAL 102 HA 0.06 0.10 0.67 -0.75 4.13 4.20 2cv9A1 VAL 102 HB 0.10 -0.03 -0.13 -0.04 2.12 2.02 2cv9A1 VAL 102 HG13 0.06 -0.01 -0.12 -0.04 0.97 0.85 2cv9A1 VAL 102 HG23 0.07 -0.00 -0.29 -0.04 0.95 0.69 2cv9A1 GLY 103 H 0.05 0.20 0.13 -0.55 8.43 8.26 2cv9A1 GLY 103 HA2 0.04 0.04 0.36 -0.51 4.01 3.93 2cv9A1 GLY 103 HA3 0.05 0.08 0.40 -0.51 4.01 4.03 2cv9A1 GLY 104 H 0.05 0.04 -0.44 -0.55 8.43 7.53 2cv9A1 GLY 104 HA2 0.04 -0.03 0.30 -0.51 4.01 3.80 2cv9A1 GLY 104 HA3 0.04 0.10 0.53 -0.51 4.01 4.16 2cv9A1 GLU 105 H 0.08 0.40 -0.54 -0.55 8.60 8.00 2cv9A1 GLU 105 HA 0.05 0.03 0.56 -0.75 4.29 4.17 2cv9A1 GLU 105 HB2 0.20 0.09 0.02 -0.04 2.09 2.36 2cv9A1 GLU 105 HB3 0.22 -0.06 0.06 -0.04 1.99 2.17 2cv9A1 GLU 105 HG2 0.09 -0.04 0.02 -0.04 2.34 2.37 2cv9A1 GLU 105 HG3 0.11 0.15 0.06 -0.04 2.34 2.61 2cv9A1 SER 106 H 0.04 0.04 0.27 -0.55 8.46 8.27 2cv9A1 SER 106 HA 0.11 0.34 1.13 -0.75 4.49 5.32 2cv9A1 SER 106 HB2 0.07 0.11 0.08 -0.04 3.95 4.18 2cv9A1 SER 106 HB3 0.04 0.07 0.02 -0.04 3.93 4.02 2cv9A1 LEU 107 H 0.17 0.68 0.26 -0.55 8.37 8.93 2cv9A1 LEU 107 HA 0.24 0.17 0.86 -0.75 4.35 4.86 2cv9A1 LEU 107 HB2 0.28 0.02 -0.22 -0.04 1.64 1.68 2cv9A1 LEU 107 HB3 0.22 -0.04 -0.00 -0.04 1.64 1.78 2cv9A1 LEU 107 HG 0.30 -0.02 -0.48 -0.04 1.64 1.41 2cv9A1 LEU 107 HD13 0.33 0.02 -0.31 -0.04 0.93 0.93 2cv9A1 LEU 107 HD23 0.23 -0.00 -0.22 -0.04 0.89 0.86 2cv9A1 LEU 108 H 0.16 0.75 0.23 -0.55 8.37 8.96 2cv9A1 LEU 108 HA 0.23 0.17 0.90 -0.75 4.35 4.89 2cv9A1 LEU 108 HB2 0.09 0.01 -0.12 -0.04 1.64 1.58 2cv9A1 LEU 108 HB3 0.07 0.02 0.17 -0.04 1.64 1.87 2cv9A1 LEU 108 HG 0.08 -0.06 -0.37 -0.04 1.64 1.25 2cv9A1 LEU 108 HD13 0.24 0.02 -0.13 -0.04 0.93 1.01 2cv9A1 LEU 108 HD23 -0.06 -0.00 -0.25 -0.04 0.89 0.54 2cv9A1 PHE 109 H 0.42 0.79 0.33 -0.55 8.34 9.33 2cv9A1 PHE 109 HA 0.17 0.29 1.09 -0.75 4.62 5.41 2cv9A1 PHE 109 HB2 0.18 -0.04 -0.10 -0.04 3.15 3.15 2cv9A1 PHE 109 HB3 0.23 0.04 0.05 -0.04 3.06 3.33 2cv9A1 PHE 109 HD2 0.18 -0.02 -0.25 -0.04 7.28 7.15 2cv9A1 PHE 109 HE2 0.24 -0.03 -0.29 -0.04 7.38 7.26 2cv9A1 PHE 109 HZ 0.29 -0.07 -0.24 -0.04 7.32 7.26 2cv9A1 VAL 110 H -0.64 0.64 0.35 -0.55 8.24 8.04 2cv9A1 VAL 110 HA -0.08 0.21 1.05 -0.75 4.13 4.55 2cv9A1 VAL 110 HB -0.13 -0.06 0.03 -0.04 2.12 1.92 2cv9A1 VAL 110 HG13 -0.00 0.04 -0.08 -0.04 0.97 0.89 2cv9A1 VAL 110 HG23 0.02 0.01 -0.32 -0.04 0.95 0.62 2cv9A1 GLN 111 H -0.06 0.44 0.22 -0.55 8.47 8.53 2cv9A1 GLN 111 HA -0.14 0.17 1.05 -0.75 4.36 4.69 2cv9A1 GLN 111 HB2 0.18 -0.03 -0.10 -0.04 2.15 2.16 2cv9A1 GLN 111 HB3 0.09 0.08 -0.14 -0.04 2.02 2.01 2cv9A1 GLN 111 HG2 0.04 -0.02 -0.21 -0.04 2.40 2.16 2cv9A1 GLN 111 HG3 0.09 0.02 -0.01 -0.04 2.39 2.45 2cv9A1 GLN 111 HE21 -0.14 0.30 -0.22 -0.04 6.97 6.87 2cv9A1 GLN 111 HE22 0.08 -0.03 -0.12 -0.04 7.69 7.58 2cv9A1 VAL 112 H -0.02 0.78 0.32 -0.55 8.24 8.78 2cv9A1 VAL 112 HA -0.01 -0.00 0.81 -0.75 4.13 4.18 2cv9A1 VAL 112 HB -0.06 0.05 -0.21 -0.04 2.12 1.86 2cv9A1 VAL 112 HG13 -0.09 0.05 -0.04 -0.04 0.97 0.85 2cv9A1 VAL 112 HG23 -0.07 0.01 0.05 -0.04 0.95 0.91 2cv9A1 GLY 114 HA2 -0.06 -0.11 0.15 -0.51 4.01 3.48 2cv9A1 GLY 114 HA3 -0.05 -0.15 0.22 -0.51 4.01 3.52 2cv9A1 ARG 115 H -0.04 -0.11 0.15 -0.55 8.46 7.91 2cv9A1 ARG 115 HA -0.04 0.46 0.98 -0.75 4.34 4.99 2cv9A1 ARG 115 HB2 -0.01 -0.10 0.06 -0.04 1.90 1.81 2cv9A1 ARG 115 HB3 -0.02 -0.02 0.06 -0.04 1.80 1.78 2cv9A1 ARG 115 HG2 -0.04 0.15 -0.04 -0.04 1.67 1.70 2cv9A1 ARG 115 HG3 -0.03 -0.06 -0.22 -0.04 1.67 1.32 2cv9A1 ARG 115 HD2 -0.01 -0.05 0.03 -0.04 3.22 3.15 2cv9A1 ARG 115 HD3 -0.01 0.32 -0.28 -0.04 3.22 3.20 2cv9A1 ILE 116 H -0.09 -0.07 0.14 -0.55 8.25 7.68 2cv9A1 ILE 116 HA -0.20 0.12 0.66 -0.75 4.18 4.00 2cv9A1 ILE 116 HB -0.29 0.05 0.09 -0.04 1.89 1.71 2cv9A1 ILE 116 HG12 -1.27 -0.02 -0.25 -0.04 1.49 -0.09 2cv9A1 ILE 116 HG13 -1.41 0.05 -0.06 -0.04 1.21 -0.25 2cv9A1 ILE 116 HG23 -0.14 -0.05 0.16 -0.04 0.93 0.86 2cv9A1 ILE 116 HD13 -0.53 -0.01 0.00 -0.04 0.88 0.30 2cv9A1 PHE 117 H -0.05 0.18 0.15 -0.55 8.34 8.08 2cv9A1 PHE 117 HA 0.02 0.05 0.22 -0.75 4.62 4.16 2cv9A1 PHE 117 HB2 0.03 0.17 0.30 -0.04 3.15 3.61 2cv9A1 PHE 117 HB3 0.03 0.03 0.10 -0.04 3.06 3.18 2cv9A1 PHE 117 HD2 0.02 0.02 -0.05 -0.04 7.28 7.23 2cv9A1 PHE 117 HE2 0.02 -0.01 -0.03 -0.04 7.38 7.32 2cv9A1 PHE 117 HZ 0.02 0.00 -0.02 -0.04 7.32 7.27 2cv9A1 ASP 119 HA 0.04 -0.07 0.25 -0.75 4.63 4.09 2cv9A1 ASP 119 HB2 0.04 -0.02 0.03 -0.04 2.71 2.71 2cv9A1 ASP 119 HB3 0.05 0.04 -0.00 -0.04 2.70 2.74 2cv9A1 PRO 120 HA -0.01 0.01 0.59 -0.51 4.44 4.52 2cv9A1 PRO 120 HB2 0.00 0.03 0.02 -0.04 2.28 2.29 2cv9A1 PRO 120 HB3 0.00 -0.03 0.13 -0.04 2.02 2.08 2cv9A1 PRO 120 HG2 0.01 0.03 0.14 -0.04 2.03 2.17 2cv9A1 PRO 120 HG3 0.01 -0.02 0.09 -0.04 2.03 2.08 2cv9A1 PRO 120 HD2 0.03 0.07 0.19 -0.04 3.68 3.92 2cv9A1 PRO 120 HD3 0.02 0.07 0.18 -0.04 3.65 3.89 2cv9A1 LEU 121 H -0.03 0.13 0.22 -0.55 8.37 8.14 2cv9A1 LEU 121 HA -0.04 0.13 0.73 -0.75 4.35 4.43 2cv9A1 LEU 121 HB2 -0.10 0.02 -0.01 -0.04 1.64 1.50 2cv9A1 LEU 121 HB3 -0.13 0.02 -0.01 -0.04 1.64 1.48 2cv9A1 LEU 121 HG -0.13 0.16 -0.38 -0.04 1.64 1.25 2cv9A1 LEU 121 HD13 -0.29 -0.01 -0.07 -0.04 0.93 0.51 2cv9A1 LEU 121 HD23 -0.41 -0.02 -0.07 -0.04 0.89 0.35 2cv9A1 ASP 122 H -0.02 0.40 0.12 -0.55 8.40 8.36 2cv9A1 ASP 122 HA 0.01 -0.02 0.42 -0.75 4.63 4.28 2cv9A1 ASP 122 HB2 0.02 0.25 0.05 -0.04 2.71 2.99 2cv9A1 ASP 122 HB3 0.02 -0.10 0.05 -0.04 2.70 2.63 2cv9A1 ASP 123 H 0.02 0.09 0.14 -0.55 8.40 8.10 2cv9A1 ASP 123 HA 0.06 0.12 0.48 -0.75 4.63 4.53 2cv9A1 ASP 123 HB2 0.03 0.09 0.15 -0.04 2.71 2.94 2cv9A1 ASP 123 HB3 0.04 0.01 0.19 -0.04 2.70 2.90 2cv9A1 PRO 124 HA -0.03 0.11 0.47 -0.51 4.44 4.47 2cv9A1 PRO 124 HB2 -0.22 0.03 -0.03 -0.04 2.28 2.02 2cv9A1 PRO 124 HB3 -0.10 0.07 0.10 -0.04 2.02 2.05 2cv9A1 PRO 124 HG2 -0.36 -0.06 0.08 -0.04 2.03 1.65 2cv9A1 PRO 124 HG3 -0.14 0.06 0.03 -0.04 2.03 1.95 2cv9A1 PRO 124 HD2 0.10 -0.01 0.26 -0.04 3.68 3.99 2cv9A1 PRO 124 HD3 -0.01 0.43 0.22 -0.04 3.65 4.25 2cv9A1 PHE 125 H 0.14 0.13 -0.12 -0.55 8.34 7.94 2cv9A1 PHE 125 HA 0.06 0.14 0.34 -0.75 4.62 4.41 2cv9A1 PHE 125 HB2 -0.17 -0.09 0.08 -0.04 3.15 2.93 2cv9A1 PHE 125 HB3 -0.48 0.09 -0.03 -0.04 3.06 2.60 2cv9A1 PHE 125 HD2 -0.36 -0.00 0.01 -0.04 7.28 6.88 2cv9A1 PHE 125 HE2 -0.08 0.06 -0.21 -0.04 7.38 7.11 2cv9A1 PHE 125 HZ -0.07 0.04 -0.09 -0.04 7.32 7.16 2cv9A1 ARG 126 H 0.15 0.09 -0.18 -0.55 8.46 7.97 2cv9A1 ARG 126 HA 0.16 0.12 0.46 -0.75 4.34 4.32 2cv9A1 ARG 126 HB2 0.06 0.03 0.03 -0.04 1.90 1.98 2cv9A1 ARG 126 HB3 0.06 0.04 0.04 -0.04 1.80 1.90 2cv9A1 ARG 126 HG2 0.09 0.06 -0.02 -0.04 1.67 1.75 2cv9A1 ARG 126 HG3 0.05 -0.08 -0.01 -0.04 1.67 1.59 2cv9A1 ARG 126 HD2 0.02 -0.01 0.01 -0.04 3.22 3.19 2cv9A1 ARG 126 HD3 0.03 0.03 -0.00 -0.04 3.22 3.24 2cv9A1 ALA 127 H 0.06 0.24 -0.50 -0.55 8.40 7.65 2cv9A1 ALA 127 HA 0.03 0.05 0.42 -0.75 4.34 4.09 2cv9A1 ALA 127 HB3 0.02 0.04 -0.01 -0.04 1.41 1.42 2cv9A1 LEU 128 H 0.03 0.66 -0.14 -0.55 8.37 8.37 2cv9A1 LEU 128 HA -0.02 0.00 0.37 -0.75 4.35 3.94 2cv9A1 LEU 128 HB2 0.05 0.19 0.15 -0.04 1.64 1.99 2cv9A1 LEU 128 HB3 0.00 0.01 -0.10 -0.04 1.64 1.51 2cv9A1 LEU 128 HG -0.04 0.00 -0.08 -0.04 1.64 1.48 2cv9A1 LEU 128 HD13 -0.05 -0.01 -0.08 -0.04 0.93 0.74 2cv9A1 LEU 128 HD23 -0.08 -0.03 -0.09 -0.04 0.89 0.65 2cv9A1 ASP 129 H 0.09 0.27 -0.32 -0.55 8.40 7.89 2cv9A1 ASP 129 HA -0.00 0.07 0.34 -0.75 4.63 4.29 2cv9A1 ASP 129 HB2 0.09 0.07 0.12 -0.04 2.71 2.95 2cv9A1 ASP 129 HB3 0.04 -0.02 -0.05 -0.04 2.70 2.63 2cv9A1 ARG 130 H 0.02 0.44 -0.26 -0.55 8.46 8.10 2cv9A1 ARG 130 HA -0.01 0.01 0.42 -0.75 4.34 4.01 2cv9A1 ARG 130 HB2 0.00 0.16 0.20 -0.04 1.90 2.22 2cv9A1 ARG 130 HB3 -0.01 -0.05 -0.01 -0.04 1.80 1.70 2cv9A1 ARG 130 HG2 0.01 -0.05 0.03 -0.04 1.67 1.61 2cv9A1 ARG 130 HG3 0.02 0.05 0.06 -0.04 1.67 1.75 2cv9A1 ARG 130 HD2 0.02 0.01 0.00 -0.04 3.22 3.20 2cv9A1 ARG 130 HD3 0.02 -0.07 -0.01 -0.04 3.22 3.12 2cv9A1 LEU 131 H -0.05 0.49 -0.15 -0.55 8.37 8.12 2cv9A1 LEU 131 HA -0.17 -0.00 0.43 -0.75 4.35 3.85 2cv9A1 LEU 131 HB2 -0.11 0.03 0.07 -0.04 1.64 1.59 2cv9A1 LEU 131 HB3 -0.11 0.06 0.14 -0.04 1.64 1.68 2cv9A1 LEU 131 HG -0.23 -0.03 -0.08 -0.04 1.64 1.27 2cv9A1 LEU 131 HD13 -0.23 0.00 -0.37 -0.04 0.93 0.29 2cv9A1 LEU 131 HD23 -0.93 -0.02 -0.02 -0.04 0.89 -0.12 2cv9A1 LEU 132 H -0.07 0.70 -0.02 -0.55 8.37 8.43 2cv9A1 LEU 132 HA -0.09 0.11 0.37 -0.75 4.35 3.99 2cv9A1 LEU 132 HB2 -0.06 0.20 0.11 -0.04 1.64 1.85 2cv9A1 LEU 132 HB3 -0.06 -0.01 -0.06 -0.04 1.64 1.46 2cv9A1 LEU 132 HG -0.06 0.04 -0.01 -0.04 1.64 1.57 2cv9A1 LEU 132 HD13 -0.07 -0.01 -0.08 -0.04 0.93 0.74 2cv9A1 LEU 132 HD23 -0.06 -0.02 -0.12 -0.04 0.89 0.65 2cv9A1 GLU 133 H -0.06 0.20 -0.74 -0.55 8.60 7.45 2cv9A1 GLU 133 HA -0.04 0.05 0.55 -0.75 4.29 4.09 2cv9A1 GLU 133 HB2 -0.03 0.17 0.17 -0.04 2.09 2.36 2cv9A1 GLU 133 HB3 -0.03 -0.09 -0.04 -0.04 1.99 1.79 2cv9A1 GLU 133 HG2 -0.03 0.06 -0.01 -0.04 2.34 2.32 2cv9A1 GLU 133 HG3 -0.02 -0.11 -0.01 -0.04 2.34 2.16 2cv9A1 GLU 134 H -0.07 0.33 0.02 -0.55 8.60 8.33 2cv9A1 GLU 134 HA -0.04 0.05 0.59 -0.75 4.29 4.13 2cv9A1 GLU 134 HB2 -0.05 -0.08 0.03 -0.04 2.09 1.96 2cv9A1 GLU 134 HB3 -0.04 -0.07 0.09 -0.04 1.99 1.92 2cv9A1 GLU 134 HG2 -0.09 0.37 0.29 -0.04 2.34 2.88 2cv9A1 GLU 134 HG3 -0.16 0.06 0.14 -0.04 2.34 2.34 2cv9A1 GLU 135 H -0.13 0.72 0.01 -0.55 8.60 8.66 2cv9A1 GLU 135 HA -0.06 0.08 0.91 -0.75 4.29 4.47 2cv9A1 GLU 135 HB2 -0.23 0.02 -0.04 -0.04 2.09 1.80 2cv9A1 GLU 135 HB3 -0.11 -0.04 -0.08 -0.04 1.99 1.73 2cv9A1 GLU 135 HG2 -0.31 -0.01 -0.09 -0.04 2.34 1.90 2cv9A1 GLU 135 HG3 -0.92 -0.07 -0.08 -0.04 2.34 1.23 2cv9A1 LYS 136 H -0.03 0.15 0.15 -0.55 8.42 8.14 2cv9A1 LYS 136 HA -0.04 0.26 0.87 -0.75 4.32 4.65 2cv9A1 LYS 136 HB2 -0.03 -0.06 0.02 -0.04 1.87 1.75 2cv9A1 LYS 136 HB3 -0.04 -0.03 -0.00 -0.04 1.79 1.68 2cv9A1 LYS 136 HG2 -0.04 0.08 -0.50 -0.04 1.46 0.96 2cv9A1 LYS 136 HG3 -0.03 -0.08 -0.09 -0.04 1.46 1.22 2cv9A1 LYS 136 HD2 -0.04 -0.09 0.00 -0.04 1.69 1.52 2cv9A1 LYS 136 HD3 -0.05 0.12 0.05 -0.04 1.68 1.76 2cv9A1 LYS 136 HE2 -0.04 0.26 -0.02 -0.04 2.99 3.15 2cv9A1 LYS 136 HE3 -0.04 -0.12 -0.02 -0.04 2.99 2.77 2cv9A1 ALA 137 H -0.04 0.39 0.14 -0.55 8.40 8.34 2cv9A1 ALA 137 HA -0.02 0.03 0.44 -0.75 4.34 4.04 2cv9A1 ALA 137 HB3 0.04 0.05 -0.21 -0.04 1.41 1.25 2cv9A1 ASP 138 H -0.08 0.05 0.23 -0.55 8.40 8.05 2cv9A1 ASP 138 HA -0.28 0.08 0.47 -0.75 4.63 4.15 2cv9A1 ASP 138 HB2 -0.24 0.03 0.28 -0.04 2.71 2.74 2cv9A1 ASP 138 HB3 -0.72 -0.00 0.10 -0.04 2.70 2.03 2cv9A1 TYR 139 H -0.04 0.32 -0.01 -0.55 8.29 8.00 2cv9A1 TYR 139 HA -0.17 0.25 0.81 -0.75 4.56 4.70 2cv9A1 TYR 139 HB2 0.03 -0.02 -0.02 -0.04 3.06 3.01 2cv9A1 TYR 139 HB3 -0.38 -0.05 -0.05 -0.04 2.98 2.45 2cv9A1 TYR 139 HD2 -0.15 0.05 -0.16 -0.04 7.15 6.85 2cv9A1 TYR 139 HE2 0.04 -0.03 -0.28 -0.04 6.85 6.54 2cv9A1 VAL 140 H -0.07 0.17 0.17 -0.55 8.24 7.97 2cv9A1 VAL 140 HA 0.08 0.27 0.99 -0.75 4.13 4.72 2cv9A1 VAL 140 HB -0.03 -0.08 0.23 -0.04 2.12 2.19 2cv9A1 VAL 140 HG13 -0.01 0.01 -0.19 -0.04 0.97 0.74 2cv9A1 VAL 140 HG23 -0.02 0.03 -0.23 -0.04 0.95 0.69 2cv9A1 LEU 141 H 0.16 0.73 0.28 -0.55 8.37 8.99 2cv9A1 LEU 141 HA 0.15 0.22 1.02 -0.75 4.35 4.99 2cv9A1 LEU 141 HB2 0.39 -0.01 -0.12 -0.04 1.64 1.86 2cv9A1 LEU 141 HB3 0.43 -0.01 0.03 -0.04 1.64 2.04 2cv9A1 LEU 141 HG 0.47 -0.05 -0.40 -0.04 1.64 1.62 2cv9A1 LEU 141 HD13 0.17 0.02 -0.16 -0.04 0.93 0.91 2cv9A1 LEU 141 HD23 0.42 -0.01 -0.21 -0.04 0.89 1.06 2cv9A1 VAL 142 H 0.03 0.64 0.33 -0.55 8.24 8.70 2cv9A1 VAL 142 HA -0.20 0.31 1.22 -0.75 4.13 4.71 2cv9A1 VAL 142 HB -0.02 -0.02 0.11 -0.04 2.12 2.15 2cv9A1 VAL 142 HG13 -0.08 -0.01 -0.28 -0.04 0.97 0.56 2cv9A1 VAL 142 HG23 -0.05 -0.00 -0.18 -0.04 0.95 0.68 2cv9A1 GLU 143 H -0.27 0.81 0.41 -0.55 8.60 9.00 2cv9A1 GLU 143 HA -0.08 0.29 0.99 -0.75 4.29 4.73 2cv9A1 GLU 143 HB2 0.31 -0.00 -0.07 -0.04 2.09 2.29 2cv9A1 GLU 143 HB3 0.07 -0.08 0.14 -0.04 1.99 2.09 2cv9A1 GLU 143 HG2 0.12 -0.04 -0.39 -0.04 2.34 1.99 2cv9A1 GLU 143 HG3 -0.04 0.08 -0.13 -0.04 2.34 2.22 2cv9A1 VAL 144 H -0.03 0.71 0.23 -0.55 8.24 8.59 2cv9A1 VAL 144 HA -0.01 0.22 0.94 -0.75 4.13 4.52 2cv9A1 VAL 144 HB 0.02 -0.02 0.10 -0.04 2.12 2.17 2cv9A1 VAL 144 HG13 -0.02 -0.01 -0.21 -0.04 0.97 0.68 2cv9A1 VAL 144 HG23 -0.02 0.02 -0.25 -0.04 0.95 0.66 2cv9A1 HIS 145 H 0.10 0.61 0.17 -0.55 8.41 8.75 2cv9A1 HIS 145 HA 0.02 -0.03 0.58 -0.75 4.63 4.46 2cv9A1 HIS 145 HB2 0.02 -0.05 0.04 -0.04 3.26 3.23 2cv9A1 HIS 145 HB3 -0.05 0.07 0.14 -0.04 3.20 3.31 2cv9A1 HIS 145 HD2 -0.25 0.04 -0.01 -0.04 6.97 6.70 2cv9A1 HIS 145 HE1 0.15 -0.04 0.01 -0.04 7.75 7.83 2cv9A1 ALA 146 H -0.06 0.45 0.32 -0.55 8.40 8.56 2cv9A1 ALA 146 HA -0.12 0.20 0.69 -0.75 4.34 4.36 2cv9A1 ALA 146 HB3 -0.02 -0.00 -0.08 -0.04 1.41 1.26 2cv9A1 GLU 147 H 0.06 0.17 0.13 -0.55 8.60 8.40 2cv9A1 GLU 147 HA 0.11 0.15 0.63 -0.75 4.29 4.43 2cv9A1 GLU 147 HB2 0.19 0.09 0.13 -0.04 2.09 2.46 2cv9A1 GLU 147 HB3 0.31 -0.02 0.07 -0.04 1.99 2.31 2cv9A1 GLU 147 HG2 0.10 0.03 -0.00 -0.04 2.34 2.42 2cv9A1 GLU 147 HG3 0.14 0.07 0.02 -0.04 2.34 2.53 2cv9A1 ALA 148 H 0.08 0.11 0.11 -0.55 8.40 8.14 2cv9A1 ALA 148 HA 0.15 0.13 0.59 -0.75 4.34 4.45 2cv9A1 ALA 148 HB3 -0.04 -0.01 0.11 -0.04 1.41 1.43 2cv9A1 THR 149 H 0.08 0.22 0.22 -0.55 8.28 8.25 2cv9A1 THR 149 HA 0.08 0.14 0.40 -0.75 4.39 4.25 2cv9A1 THR 149 HB 0.08 0.02 0.05 -0.04 4.32 4.43 2cv9A1 THR 149 HG23 0.06 0.03 0.06 -0.04 1.22 1.33 2cv9A1 SER 150 H 0.05 0.03 -0.12 -0.55 8.46 7.87 2cv9A1 SER 150 HA 0.03 0.14 0.43 -0.75 4.49 4.34 2cv9A1 SER 150 HB2 0.01 0.07 0.04 -0.04 3.95 4.02 2cv9A1 SER 150 HB3 0.02 -0.00 0.08 -0.04 3.93 3.99 2cv9A1 GLU 151 H 0.02 0.00 -0.33 -0.55 8.60 7.75 2cv9A1 GLU 151 HA 0.09 0.07 0.40 -0.75 4.29 4.10 2cv9A1 GLU 151 HB2 -0.01 -0.09 0.10 -0.04 2.09 2.05 2cv9A1 GLU 151 HB3 0.01 0.14 0.07 -0.04 1.99 2.16 2cv9A1 GLU 151 HG2 -0.01 0.08 -0.15 -0.04 2.34 2.22 2cv9A1 GLU 151 HG3 0.12 0.02 0.05 -0.04 2.34 2.48 2cv9A1 LYS 152 H 0.06 0.31 -0.27 -0.55 8.42 7.96 2cv9A1 LYS 152 HA 0.05 0.03 0.24 -0.75 4.32 3.88 2cv9A1 LYS 152 HB2 0.15 0.10 0.14 -0.04 1.87 2.22 2cv9A1 LYS 152 HB3 0.22 -0.03 0.10 -0.04 1.79 2.03 2cv9A1 LYS 152 HG2 0.04 -0.03 -0.03 -0.04 1.46 1.40 2cv9A1 LYS 152 HG3 0.05 0.14 -0.08 -0.04 1.46 1.52 2cv9A1 LYS 152 HD2 0.07 -0.12 0.02 -0.04 1.69 1.62 2cv9A1 LYS 152 HD3 0.05 0.07 0.22 -0.04 1.68 1.97 2cv9A1 LYS 152 HE2 0.00 -0.05 0.24 -0.04 2.99 3.14 2cv9A1 LYS 152 HE3 0.02 0.07 -0.16 -0.04 2.99 2.87 2cv9A1 ALA 154 HA 0.12 -0.09 0.32 -0.75 4.34 3.94 2cv9A1 ALA 154 HB3 0.17 -0.00 0.07 -0.04 1.41 1.61 2cv9A1 LEU 155 H 0.07 0.66 -0.81 -0.55 8.37 7.75 2cv9A1 LEU 155 HA 0.02 -0.02 0.42 -0.75 4.35 4.01 2cv9A1 LEU 155 HB2 -0.07 0.14 0.07 -0.04 1.64 1.75 2cv9A1 LEU 155 HB3 -0.14 -0.05 -0.08 -0.04 1.64 1.33 2cv9A1 LEU 155 HG -0.57 0.03 -0.04 -0.04 1.64 1.02 2cv9A1 LEU 155 HD13 -0.21 -0.02 -0.16 -0.04 0.93 0.50 2cv9A1 LEU 155 HD23 -1.00 -0.04 -0.12 -0.04 0.89 -0.30 2cv9A1 ALA 156 H -0.01 0.60 0.30 -0.55 8.40 8.73 2cv9A1 ALA 156 HA -0.02 0.06 0.34 -0.75 4.34 3.97 2cv9A1 ALA 156 HB3 -0.35 0.01 -0.04 -0.04 1.41 0.99 2cv9A1 HIS 157 H 0.10 0.19 -0.23 -0.55 8.41 7.92 2cv9A1 HIS 157 HA -0.01 0.03 0.47 -0.75 4.63 4.36 2cv9A1 HIS 157 HB2 0.03 0.09 0.10 -0.04 3.26 3.43 2cv9A1 HIS 157 HB3 0.03 0.01 0.00 -0.04 3.20 3.20 2cv9A1 HIS 157 HD2 -0.12 0.06 -0.07 -0.04 6.97 6.79 2cv9A1 HIS 157 HE1 -0.03 -0.00 0.01 -0.04 7.75 7.69 2cv9A1 TYR 158 H 0.30 0.48 -0.22 -0.55 8.29 8.30 2cv9A1 TYR 158 HA 0.09 0.03 0.43 -0.75 4.56 4.35 2cv9A1 TYR 158 HB2 0.27 0.04 0.11 -0.04 3.06 3.44 2cv9A1 TYR 158 HB3 0.20 0.08 0.06 -0.04 2.98 3.28 2cv9A1 TYR 158 HD2 0.12 0.01 -0.02 -0.04 7.15 7.23 2cv9A1 TYR 158 HE2 0.08 0.05 -0.06 -0.04 6.85 6.87 2cv9A1 LEU 159 H 0.07 0.24 -0.60 -0.55 8.37 7.53 2cv9A1 LEU 159 HA -0.09 0.14 0.69 -0.75 4.35 4.33 2cv9A1 LEU 159 HB2 0.01 0.26 0.12 -0.04 1.64 1.99 2cv9A1 LEU 159 HB3 -0.02 -0.12 -0.01 -0.04 1.64 1.45 2cv9A1 LEU 159 HG -0.03 -0.06 -0.04 -0.04 1.64 1.47 2cv9A1 LEU 159 HD13 0.01 0.01 -0.16 -0.04 0.93 0.75 2cv9A1 LEU 159 HD23 -0.02 0.00 -0.13 -0.04 0.89 0.70 2cv9A1 ASP 160 H -0.02 0.26 -0.32 -0.55 8.40 7.77 2cv9A1 ASP 160 HA -0.04 -0.02 0.36 -0.75 4.63 4.17 2cv9A1 ASP 160 HB2 -0.07 0.05 0.20 -0.04 2.71 2.85 2cv9A1 ASP 160 HB3 -0.01 0.06 0.10 -0.04 2.70 2.81 2cv9A1 GLY 161 H -0.03 0.13 0.08 -0.55 8.43 8.06 2cv9A1 GLY 161 HA2 -0.02 0.16 0.35 -0.51 4.01 3.99 2cv9A1 GLY 161 HA3 -0.03 0.07 0.59 -0.51 4.01 4.13 2cv9A1 ARG 162 H -0.05 0.42 -0.62 -0.55 8.46 7.65 2cv9A1 ARG 162 HA -0.06 0.15 0.82 -0.75 4.34 4.50 2cv9A1 ARG 162 HB2 -0.08 0.06 0.06 -0.04 1.90 1.90 2cv9A1 ARG 162 HB3 -0.07 -0.06 -0.03 -0.04 1.80 1.59 2cv9A1 ARG 162 HG2 -0.07 -0.00 -0.11 -0.04 1.67 1.44 2cv9A1 ARG 162 HG3 -0.10 0.08 -0.19 -0.04 1.67 1.42 2cv9A1 ARG 162 HD2 -0.10 -0.02 -0.05 -0.04 3.22 3.00 2cv9A1 ARG 162 HD3 -0.12 -0.06 -0.05 -0.04 3.22 2.95 2cv9A1 ALA 163 H -0.04 0.53 0.17 -0.55 8.40 8.51 2cv9A1 ALA 163 HA -0.04 0.11 0.75 -0.75 4.34 4.41 2cv9A1 ALA 163 HB3 -0.01 -0.00 -0.04 -0.04 1.41 1.31 2cv9A1 SER 164 H -0.07 0.30 0.34 -0.55 8.46 8.48 2cv9A1 SER 164 HA -0.08 0.14 0.51 -0.75 4.49 4.31 2cv9A1 SER 164 HB2 -0.59 0.03 0.12 -0.04 3.95 3.46 2cv9A1 SER 164 HB3 -0.72 -0.03 0.05 -0.04 3.93 3.20 2cv9A1 ALA 165 H 0.04 0.42 0.22 -0.55 8.40 8.53 2cv9A1 ALA 165 HA 0.12 0.25 0.72 -0.75 4.34 4.67 2cv9A1 ALA 165 HB3 0.31 -0.00 -0.11 -0.04 1.41 1.56 2cv9A1 VAL 166 H 0.10 0.73 0.21 -0.55 8.24 8.74 2cv9A1 VAL 166 HA 0.03 0.24 0.99 -0.75 4.13 4.64 2cv9A1 VAL 166 HB 0.22 -0.02 0.13 -0.04 2.12 2.41 2cv9A1 VAL 166 HG13 0.11 -0.02 -0.20 -0.04 0.97 0.82 2cv9A1 VAL 166 HG23 0.03 -0.00 -0.23 -0.04 0.95 0.71 2cv9A1 LEU 167 H -0.07 0.61 0.27 -0.55 8.37 8.64 2cv9A1 LEU 167 HA -0.22 0.20 1.04 -0.75 4.35 4.62 2cv9A1 LEU 167 HB2 -0.42 -0.03 0.01 -0.04 1.64 1.16 2cv9A1 LEU 167 HB3 -0.35 0.01 -0.05 -0.04 1.64 1.21 2cv9A1 LEU 167 HG -0.07 -0.05 -0.36 -0.04 1.64 1.12 2cv9A1 LEU 167 HD13 -0.16 0.01 -0.15 -0.04 0.93 0.58 2cv9A1 LEU 167 HD23 -0.12 0.02 -0.19 -0.04 0.89 0.56 2cv9A1 GLY 168 H -0.21 0.57 0.18 -0.55 8.43 8.43 2cv9A1 GLY 168 HA2 -0.04 0.17 0.93 -0.51 4.01 4.56 2cv9A1 GLY 168 HA3 -0.05 0.46 0.57 -0.51 4.01 4.48 2cv9A1 THR 169 H 0.00 0.58 0.47 -0.55 8.28 8.79 2cv9A1 THR 169 HA 0.03 -0.03 0.77 -0.75 4.39 4.40 2cv9A1 THR 169 HB 0.28 -0.16 0.20 -0.04 4.32 4.59 2cv9A1 THR 169 HG23 0.13 0.02 -0.25 -0.04 1.22 1.07 2cv9A1 HIS 170 H 0.07 0.13 0.15 -0.55 8.41 8.21 2cv9A1 HIS 170 HA -0.33 0.03 0.33 -0.75 4.63 3.92 2cv9A1 HIS 170 HB2 -1.88 -0.11 -0.18 -0.04 3.26 1.05 2cv9A1 HIS 170 HB3 -0.47 0.41 0.37 -0.04 3.20 3.47 2cv9A1 HIS 170 HD2 -0.20 -0.08 0.01 -0.04 6.97 6.66 2cv9A1 HIS 170 HE1 -0.08 0.06 -0.07 -0.04 7.75 7.61 2cv9A1 THR 171 H -0.13 0.06 -0.47 -0.55 8.28 7.20 2cv9A1 THR 171 HA -0.30 0.20 0.57 -0.75 4.39 4.10 2cv9A1 THR 171 HB -0.06 -0.06 0.00 -0.04 4.32 4.16 2cv9A1 THR 171 HG23 -0.03 -0.04 -0.11 -0.04 1.22 1.00 2cv9A1 HIS 172 H -0.02 -0.09 -0.19 -0.55 8.41 7.57 2cv9A1 HIS 172 HA -0.04 -0.02 0.17 -0.75 4.63 3.98 2cv9A1 HIS 172 HB2 -0.10 0.30 -0.06 -0.04 3.26 3.36 2cv9A1 HIS 172 HB3 -0.14 -0.04 0.11 -0.04 3.20 3.09 2cv9A1 HIS 172 HD2 -0.02 -0.13 -0.15 -0.04 6.97 6.62 2cv9A1 HIS 172 HE1 -0.02 0.02 -0.05 -0.04 7.75 7.65 2cv9A1 VAL 173 H 0.03 0.05 -0.37 -0.55 8.24 7.40 2cv9A1 VAL 173 HA 0.13 0.19 0.64 -0.75 4.13 4.33 2cv9A1 VAL 173 HB 0.02 -0.06 -0.07 -0.04 2.12 1.97 2cv9A1 VAL 173 HG13 0.00 0.03 -0.12 -0.04 0.97 0.84 2cv9A1 VAL 173 HG23 0.09 0.02 -0.24 -0.04 0.95 0.78 2cv9A1 PRO 174 HA -0.06 0.26 0.12 -0.51 4.44 4.25 2cv9A1 PRO 174 HB2 -0.09 0.04 -0.10 -0.04 2.28 2.08 2cv9A1 PRO 174 HB3 -0.24 0.22 -0.01 -0.04 2.02 1.96 2cv9A1 PRO 174 HG2 -0.20 -0.00 0.02 -0.04 2.03 1.81 2cv9A1 PRO 174 HG3 -0.68 0.05 0.01 -0.04 2.03 1.37 2cv9A1 PRO 174 HD2 -0.13 0.11 0.14 -0.04 3.68 3.76 2cv9A1 PRO 174 HD3 -0.28 0.10 0.08 -0.04 3.65 3.52 2cv9A1 THR 175 H -0.05 0.55 0.30 -0.55 8.28 8.53 2cv9A1 THR 175 HA -0.02 0.21 0.92 -0.75 4.39 4.74 2cv9A1 THR 175 HB -0.01 0.00 0.03 -0.04 4.32 4.30 2cv9A1 THR 175 HG23 -0.02 0.05 -0.05 -0.04 1.22 1.17 2cv9A1 LEU 176 H -0.01 0.20 0.08 -0.55 8.37 8.10 2cv9A1 LEU 176 HA -0.00 0.17 0.70 -0.75 4.35 4.47 2cv9A1 LEU 176 HB2 -0.01 0.04 0.07 -0.04 1.64 1.70 2cv9A1 LEU 176 HB3 0.00 -0.01 0.20 -0.04 1.64 1.79 2cv9A1 LEU 176 HG 0.01 0.02 0.14 -0.04 1.64 1.76 2cv9A1 LEU 176 HD13 0.01 0.01 0.03 -0.04 0.93 0.93 2cv9A1 LEU 176 HD23 0.00 -0.00 0.05 -0.04 0.89 0.89 2cv9A1 ASP 177 H -0.01 0.22 -0.42 -0.55 8.40 7.64 2cv9A1 ASP 177 HA 0.03 0.29 0.83 -0.75 4.63 5.03 2cv9A1 ASP 177 HB2 0.08 0.05 0.11 -0.04 2.71 2.91 2cv9A1 ASP 177 HB3 0.04 0.02 -0.14 -0.04 2.70 2.57 2cv9A1 ALA 178 H -0.00 0.07 0.05 -0.55 8.40 7.98 2cv9A1 ALA 178 HA -0.03 0.24 0.64 -0.75 4.34 4.44 2cv9A1 ALA 178 HB3 0.00 -0.00 0.11 -0.04 1.41 1.48 2cv9A1 THR 179 H 0.07 0.47 0.44 -0.55 8.28 8.71 2cv9A1 THR 179 HA 0.05 0.12 0.62 -0.75 4.39 4.43 2cv9A1 THR 179 HB 0.06 -0.09 0.18 -0.04 4.32 4.44 2cv9A1 THR 179 HG23 0.06 0.07 -0.32 -0.04 1.22 0.99 2cv9A1 ARG 180 H 0.05 0.22 0.18 -0.55 8.46 8.36 2cv9A1 ARG 180 HA 0.07 0.25 0.97 -0.75 4.34 4.87 2cv9A1 ARG 180 HB2 0.05 0.16 -0.14 -0.04 1.90 1.92 2cv9A1 ARG 180 HB3 0.05 -0.04 -0.13 -0.04 1.80 1.64 2cv9A1 ARG 180 HG2 0.04 -0.12 0.08 -0.04 1.67 1.63 2cv9A1 ARG 180 HG3 0.03 0.05 -0.19 -0.04 1.67 1.52 2cv9A1 ARG 180 HD2 0.04 -0.03 -0.03 -0.04 3.22 3.16 2cv9A1 ARG 180 HD3 0.03 -0.05 -0.03 -0.04 3.22 3.14 2cv9A1 LEU 181 H 0.00 0.82 0.16 -0.55 8.37 8.80 2cv9A1 LEU 181 HA -0.03 0.13 0.58 -0.75 4.35 4.27 2cv9A1 LEU 181 HB2 -0.09 -0.13 0.06 -0.04 1.64 1.43 2cv9A1 LEU 181 HB3 -0.20 -0.01 0.09 -0.04 1.64 1.48 2cv9A1 LEU 181 HG -0.09 0.15 -0.13 -0.04 1.64 1.52 2cv9A1 LEU 181 HD13 -0.44 -0.03 -0.26 -0.04 0.93 0.16 2cv9A1 LEU 181 HD23 -0.36 -0.01 -0.18 -0.04 0.89 0.30 2cv9A1 PRO 182 HA 0.02 0.10 0.40 -0.51 4.44 4.45 2cv9A1 PRO 182 HB2 0.03 -0.00 0.09 -0.04 2.28 2.36 2cv9A1 PRO 182 HB3 0.03 0.04 0.08 -0.04 2.02 2.13 2cv9A1 PRO 182 HG2 0.10 0.04 0.09 -0.04 2.03 2.22 2cv9A1 PRO 182 HG3 0.06 0.06 0.12 -0.04 2.03 2.22 2cv9A1 PRO 182 HD2 -0.00 0.09 0.18 -0.04 3.68 3.90 2cv9A1 PRO 182 HD3 0.04 0.15 0.23 -0.04 3.65 4.02 2cv9A1 LYS 183 H -0.00 0.06 -0.20 -0.55 8.42 7.72 2cv9A1 LYS 183 HA 0.00 0.16 0.56 -0.75 4.32 4.29 2cv9A1 LYS 183 HB2 -0.01 -0.15 -0.23 -0.04 1.87 1.43 2cv9A1 LYS 183 HB3 -0.01 0.08 0.09 -0.04 1.79 1.91 2cv9A1 LYS 183 HG2 0.01 -0.11 -0.05 -0.04 1.46 1.26 2cv9A1 LYS 183 HG3 -0.01 0.18 -0.17 -0.04 1.46 1.43 2cv9A1 LYS 183 HD2 0.00 0.05 -0.06 -0.04 1.69 1.63 2cv9A1 LYS 183 HD3 0.01 -0.05 -0.08 -0.04 1.68 1.52 2cv9A1 LYS 183 HE2 -0.01 0.05 -0.01 -0.04 2.99 2.98 2cv9A1 LYS 183 HE3 -0.00 -0.04 -0.02 -0.04 2.99 2.89 2cv9A1 GLY 184 H 0.01 0.62 -0.49 -0.55 8.43 8.03 2cv9A1 GLY 184 HA2 0.02 0.04 0.25 -0.51 4.01 3.82 2cv9A1 GLY 184 HA3 0.02 0.18 0.68 -0.51 4.01 4.38 2cv9A1 THR 185 H -0.01 -0.14 -0.16 -0.55 8.28 7.43 2cv9A1 THR 185 HA 0.03 0.32 0.51 -0.75 4.39 4.50 2cv9A1 THR 185 HB -0.03 -0.17 0.02 -0.04 4.32 4.10 2cv9A1 THR 185 HG23 0.03 0.09 -0.36 -0.04 1.22 0.93 2cv9A1 LEU 186 H 0.10 0.67 0.44 -0.55 8.37 9.02 2cv9A1 LEU 186 HA 0.09 0.15 0.82 -0.75 4.35 4.65 2cv9A1 LEU 186 HB2 0.16 -0.10 0.18 -0.04 1.64 1.83 2cv9A1 LEU 186 HB3 0.09 -0.03 0.06 -0.04 1.64 1.72 2cv9A1 LEU 186 HG 0.16 0.19 0.09 -0.04 1.64 2.03 2cv9A1 LEU 186 HD13 0.17 -0.07 -0.24 -0.04 0.93 0.75 2cv9A1 LEU 186 HD23 0.08 0.00 -0.19 -0.04 0.89 0.74 2cv9A1 TYR 187 H 0.12 0.73 0.42 -0.55 8.29 9.00 2cv9A1 TYR 187 HA -0.00 0.33 0.88 -0.75 4.56 5.01 2cv9A1 TYR 187 HB2 -0.04 0.04 -0.25 -0.04 3.06 2.77 2cv9A1 TYR 187 HB3 -0.02 -0.02 -0.13 -0.04 2.98 2.77 2cv9A1 TYR 187 HD2 -0.01 0.08 -0.10 -0.04 7.15 7.08 2cv9A1 TYR 187 HE2 0.01 0.01 -0.11 -0.04 6.85 6.72 2cv9A1 GLN 188 H -1.10 0.48 0.20 -0.55 8.47 7.51 2cv9A1 GLN 188 HA -0.49 0.06 0.36 -0.75 4.36 3.53 2cv9A1 GLN 188 HB2 -0.17 0.16 -0.07 -0.04 2.15 2.03 2cv9A1 GLN 188 HB3 -0.24 -0.04 0.00 -0.04 2.02 1.71 2cv9A1 GLN 188 HG2 -0.18 -0.23 -0.26 -0.04 2.40 1.69 2cv9A1 GLN 188 HG3 -0.12 -0.04 0.02 -0.04 2.39 2.22 2cv9A1 GLN 188 HE21 -0.00 0.04 0.02 -0.04 6.97 6.98 2cv9A1 GLN 188 HE22 -0.04 0.30 0.14 -0.04 7.69 8.05 2cv9A1 THR 189 H -0.35 0.16 0.04 -0.55 8.28 7.59 2cv9A1 THR 189 HA -0.11 0.08 0.41 -0.75 4.39 4.02 2cv9A1 THR 189 HB -0.02 -0.06 0.11 -0.04 4.32 4.31 2cv9A1 THR 189 HG23 0.05 0.01 -0.09 -0.04 1.22 1.14 2cv9A1 ASP 190 H -0.11 0.08 -0.11 -0.55 8.40 7.71 2cv9A1 ASP 190 HA -0.07 0.39 0.50 -0.75 4.63 4.69 2cv9A1 ASP 190 HB2 -0.03 0.07 -0.36 -0.04 2.71 2.35 2cv9A1 ASP 190 HB3 -0.03 0.19 -0.02 -0.04 2.70 2.79 2cv9A1 VAL 191 H -0.06 0.65 0.21 -0.55 8.24 8.50 2cv9A1 VAL 191 HA -0.01 0.05 0.35 -0.75 4.13 3.76 2cv9A1 VAL 191 HB 0.09 -0.03 0.04 -0.04 2.12 2.18 2cv9A1 VAL 191 HG13 0.15 0.05 -0.12 -0.04 0.97 1.01 2cv9A1 VAL 191 HG23 -0.16 0.04 -0.04 -0.04 0.95 0.75 2cv9A1 GLY 192 H 0.02 -0.10 -0.51 -0.55 8.43 7.30 2cv9A1 GLY 192 HA2 0.03 -0.14 -0.33 -0.51 4.01 3.06 2cv9A1 GLY 192 HA3 -0.07 0.29 0.33 -0.51 4.01 4.06 2cv9A1 THR 194 HA 0.18 -0.04 0.34 -0.75 4.39 4.12 2cv9A1 THR 194 HB -0.02 -0.05 0.21 -0.04 4.32 4.41 2cv9A1 THR 194 HG23 -0.16 0.01 0.08 -0.04 1.22 1.11 2cv9A1 GLY 195 H 0.13 0.29 0.30 -0.55 8.43 8.61 2cv9A1 GLY 195 HA2 0.03 -0.05 0.10 -0.51 4.01 3.59 2cv9A1 GLY 195 HA3 -0.06 0.14 0.48 -0.51 4.01 4.06 2cv9A1 THR 196 H -0.05 0.19 0.04 -0.55 8.28 7.91 2cv9A1 THR 196 HA 0.01 0.23 0.76 -0.75 4.39 4.64 2cv9A1 THR 196 HB 0.04 0.06 -0.39 -0.04 4.32 3.99 2cv9A1 THR 196 HG23 -0.01 -0.01 -0.26 -0.04 1.22 0.89 2cv9A1 TYR 197 H 0.03 0.26 0.15 -0.55 8.29 8.18 2cv9A1 TYR 197 HA -0.10 0.13 0.53 -0.75 4.56 4.37 2cv9A1 TYR 197 HB2 -0.20 0.01 0.08 -0.04 3.06 2.90 2cv9A1 TYR 197 HB3 -0.11 0.01 0.14 -0.04 2.98 2.97 2cv9A1 TYR 197 HD2 -0.05 -0.00 0.04 -0.04 7.15 7.10 2cv9A1 TYR 197 HE2 0.07 0.04 0.05 -0.04 6.85 6.97 2cv9A1 HIS 198 H -0.15 0.06 -0.47 -0.55 8.41 7.30 2cv9A1 HIS 198 HA 0.02 0.12 0.58 -0.75 4.63 4.60 2cv9A1 HIS 198 HB2 0.01 -0.02 0.10 -0.04 3.26 3.31 2cv9A1 HIS 198 HB3 0.00 0.00 0.15 -0.04 3.20 3.31 2cv9A1 HIS 198 HD2 0.02 0.05 -0.02 -0.04 6.97 6.97 2cv9A1 HIS 198 HE1 -0.01 0.03 0.04 -0.04 7.75 7.77 2cv9A1 SER 199 H 0.02 0.75 -0.29 -0.55 8.46 8.40 2cv9A1 SER 199 HA -0.02 -0.07 0.36 -0.75 4.49 4.00 2cv9A1 SER 199 HB2 -0.13 0.24 -0.05 -0.04 3.95 3.97 2cv9A1 SER 199 HB3 -0.05 0.09 -0.30 -0.04 3.93 3.62 2cv9A1 ILE 200 H -0.21 0.51 0.06 -0.55 8.25 8.06 2cv9A1 ILE 200 HA -0.09 0.19 0.79 -0.75 4.18 4.32 2cv9A1 ILE 200 HB -0.06 0.05 0.06 -0.04 1.89 1.90 2cv9A1 ILE 200 HG12 -0.80 0.03 -0.04 -0.04 1.49 0.65 2cv9A1 ILE 200 HG13 0.01 0.01 -0.04 -0.04 1.21 1.14 2cv9A1 ILE 200 HG23 -0.01 0.00 -0.18 -0.04 0.93 0.71 2cv9A1 ILE 200 HD13 -0.39 -0.03 -0.10 -0.04 0.88 0.33 2cv9A1 ILE 201 H -0.11 0.24 0.06 -0.55 8.25 7.90 2cv9A1 ILE 201 HA -0.04 0.12 0.28 -0.75 4.18 3.79 2cv9A1 ILE 201 HB -0.13 -0.01 -0.45 -0.04 1.89 1.26 2cv9A1 ILE 201 HG12 0.05 -0.00 -0.03 -0.04 1.49 1.47 2cv9A1 ILE 201 HG13 0.13 0.10 0.01 -0.04 1.21 1.40 2cv9A1 ILE 201 HG23 0.26 0.00 0.07 -0.04 0.93 1.23 2cv9A1 ILE 201 HD13 0.00 0.00 0.04 -0.04 0.88 0.88 2cv9A1 GLY 202 H -0.20 -0.07 -0.79 -0.55 8.43 6.82 2cv9A1 GLY 202 HA2 -0.15 0.07 0.21 -0.51 4.01 3.63 2cv9A1 GLY 202 HA3 -0.11 0.20 0.60 -0.51 4.01 4.19 2cv9A1 GLY 203 H -0.36 0.61 -0.11 -0.55 8.43 8.02 2cv9A1 GLY 203 HA2 -0.28 0.24 0.88 -0.51 4.01 4.34 2cv9A1 GLY 203 HA3 -0.25 0.02 0.35 -0.51 4.01 3.62 2cv9A1 GLU 204 H -0.18 0.51 0.17 -0.55 8.60 8.56 2cv9A1 GLU 204 HA -0.04 0.08 0.47 -0.75 4.29 4.04 2cv9A1 GLU 204 HB2 -0.03 -0.07 0.12 -0.04 2.09 2.07 2cv9A1 GLU 204 HB3 -0.01 -0.09 0.08 -0.04 1.99 1.93 2cv9A1 GLU 204 HG2 -0.05 -0.02 -0.03 -0.04 2.34 2.20 2cv9A1 GLU 204 HG3 -0.11 0.12 -0.26 -0.04 2.34 2.05 2cv9A1 VAL 205 H 0.00 0.21 0.20 -0.55 8.24 8.10 2cv9A1 VAL 205 HA 0.04 0.11 0.33 -0.75 4.13 3.85 2cv9A1 VAL 205 HB 0.03 -0.05 0.10 -0.04 2.12 2.15 2cv9A1 VAL 205 HG13 0.04 0.02 -0.11 -0.04 0.97 0.87 2cv9A1 VAL 205 HG23 0.01 0.03 -0.01 -0.04 0.95 0.94 2cv9A1 GLU 206 H 0.03 0.10 -0.10 -0.55 8.60 8.09 2cv9A1 GLU 206 HA 0.05 0.10 0.36 -0.75 4.29 4.05 2cv9A1 GLU 206 HB2 0.02 -0.01 0.03 -0.04 2.09 2.09 2cv9A1 GLU 206 HB3 0.03 0.07 0.01 -0.04 1.99 2.05 2cv9A1 GLU 206 HG2 0.02 -0.06 0.07 -0.04 2.34 2.33 2cv9A1 GLU 206 HG3 0.01 0.06 0.02 -0.04 2.34 2.39 2cv9A1 THR 207 H 0.06 0.06 -0.26 -0.55 8.28 7.58 2cv9A1 THR 207 HA 0.02 0.07 0.36 -0.75 4.39 4.09 2cv9A1 THR 207 HB 0.14 0.10 0.15 -0.04 4.32 4.66 2cv9A1 THR 207 HG23 -0.06 -0.00 -0.09 -0.04 1.22 1.03 2cv9A1 PHE 208 H 0.39 0.47 -0.11 -0.55 8.34 8.54 2cv9A1 PHE 208 HA 0.04 0.08 0.47 -0.75 4.62 4.46 2cv9A1 PHE 208 HB2 0.09 0.08 0.06 -0.04 3.15 3.35 2cv9A1 PHE 208 HB3 0.24 -0.01 -0.05 -0.04 3.06 3.19 2cv9A1 PHE 208 HD2 0.13 -0.02 -0.01 -0.04 7.28 7.34 2cv9A1 PHE 208 HE2 0.15 -0.02 0.00 -0.04 7.38 7.47 2cv9A1 PHE 208 HZ 0.40 0.03 -0.03 -0.04 7.32 7.69 2cv9A1 LEU 209 H 0.20 0.57 -0.20 -0.55 8.37 8.39 2cv9A1 LEU 209 HA 0.26 0.02 0.46 -0.75 4.35 4.34 2cv9A1 LEU 209 HB2 0.11 0.19 0.11 -0.04 1.64 2.01 2cv9A1 LEU 209 HB3 0.09 0.03 0.05 -0.04 1.64 1.78 2cv9A1 LEU 209 HG 0.08 -0.02 -0.01 -0.04 1.64 1.65 2cv9A1 LEU 209 HD13 0.08 -0.01 0.04 -0.04 0.93 1.01 2cv9A1 LEU 209 HD23 0.04 -0.02 -0.05 -0.04 0.89 0.83 2cv9A1 ALA 210 H 0.08 0.50 -0.31 -0.55 8.40 8.13 2cv9A1 ALA 210 HA 0.04 -0.00 0.52 -0.75 4.34 4.14 2cv9A1 ALA 210 HB3 0.01 0.04 0.10 -0.04 1.41 1.52 2cv9A1 ARG 211 H -0.02 0.26 -0.30 -0.55 8.46 7.85 2cv9A1 ARG 211 HA -0.13 0.19 0.44 -0.75 4.34 4.09 2cv9A1 ARG 211 HB2 -0.27 0.05 0.17 -0.04 1.90 1.81 2cv9A1 ARG 211 HB3 -0.46 0.07 0.08 -0.04 1.80 1.45 2cv9A1 ARG 211 HG2 -0.22 0.02 0.01 -0.04 1.67 1.44 2cv9A1 ARG 211 HG3 -0.37 -0.02 0.00 -0.04 1.67 1.24 2cv9A1 ARG 211 HD2 -0.37 -0.01 -0.16 -0.04 3.22 2.64 2cv9A1 ARG 211 HD3 -0.23 -0.02 -0.11 -0.04 3.22 2.82 2cv9A1 PHE 212 H 0.14 0.34 -0.21 -0.55 8.34 8.05 2cv9A1 PHE 212 HA 0.01 0.11 0.54 -0.75 4.62 4.52 2cv9A1 PHE 212 HB2 0.04 0.05 0.12 -0.04 3.15 3.32 2cv9A1 PHE 212 HB3 0.03 -0.03 0.00 -0.04 3.06 3.02 2cv9A1 PHE 212 HD2 0.07 0.10 0.01 -0.04 7.28 7.42 2cv9A1 PHE 212 HE2 0.14 -0.03 -0.03 -0.04 7.38 7.42 2cv9A1 PHE 212 HZ 0.10 -0.01 -0.03 -0.04 7.32 7.34 2cv9A1 LEU 213 H 0.12 0.31 -0.20 -0.55 8.37 8.05 2cv9A1 LEU 213 HA 0.08 0.11 0.64 -0.75 4.35 4.42 2cv9A1 LEU 213 HB2 0.06 0.04 0.17 -0.04 1.64 1.87 2cv9A1 LEU 213 HB3 0.04 -0.05 0.01 -0.04 1.64 1.60 2cv9A1 LEU 213 HG 0.10 0.06 0.04 -0.04 1.64 1.80 2cv9A1 LEU 213 HD13 0.05 -0.03 -0.03 -0.04 0.93 0.88 2cv9A1 LEU 213 HD23 0.05 -0.01 0.00 -0.04 0.89 0.89 2cv9A1 THR 214 H 0.02 0.41 -0.06 -0.55 8.28 8.10 2cv9A1 THR 214 HA 0.01 0.18 0.86 -0.75 4.39 4.68 2cv9A1 THR 214 HB -0.00 -0.04 0.07 -0.04 4.32 4.30 2cv9A1 THR 214 HG23 0.01 -0.00 0.01 -0.04 1.22 1.20 2cv9A1 GLY 215 H -0.03 0.35 -0.06 -0.55 8.43 8.14 2cv9A1 GLY 215 HA2 -0.06 0.09 0.32 -0.51 4.01 3.85 2cv9A1 GLY 215 HA3 -0.02 0.06 0.51 -0.51 4.01 4.04 2cv9A1 ARG 216 H -0.04 0.01 -0.32 -0.55 8.46 7.57 2cv9A1 ARG 216 HA -0.03 0.16 0.77 -0.75 4.34 4.48 2cv9A1 ARG 216 HB2 -0.02 -0.06 -0.02 -0.04 1.90 1.76 2cv9A1 ARG 216 HB3 -0.02 0.05 -0.04 -0.04 1.80 1.75 2cv9A1 ARG 216 HG2 -0.01 -0.03 -0.01 -0.04 1.67 1.57 2cv9A1 ARG 216 HG3 -0.02 0.07 -0.22 -0.04 1.67 1.47 2cv9A1 ARG 216 HD2 -0.01 -0.04 -0.03 -0.04 3.22 3.11 2cv9A1 ARG 216 HD3 -0.01 0.07 -0.05 -0.04 3.22 3.19 2cv9A1 PRO 217 HA -0.08 0.02 0.39 -0.51 4.44 4.26 2cv9A1 PRO 217 HB2 -0.03 0.01 -0.08 -0.04 2.28 2.13 2cv9A1 PRO 217 HB3 -0.04 0.03 0.07 -0.04 2.02 2.04 2cv9A1 PRO 217 HG2 -0.02 0.01 0.07 -0.04 2.03 2.04 2cv9A1 PRO 217 HG3 -0.02 0.02 0.06 -0.04 2.03 2.05 2cv9A1 PRO 217 HD2 -0.03 0.06 0.20 -0.04 3.68 3.87 2cv9A1 PRO 217 HD3 -0.03 0.17 0.19 -0.04 3.65 3.94 2cv9A1 GLN 218 H -0.09 0.21 0.11 -0.55 8.47 8.15 2cv9A1 GLN 218 HA -0.04 0.15 0.78 -0.75 4.36 4.49 2cv9A1 GLN 218 HB2 -0.14 -0.05 0.06 -0.04 2.15 1.98 2cv9A1 GLN 218 HB3 -0.06 -0.02 0.05 -0.04 2.02 1.95 2cv9A1 GLN 218 HG2 -0.09 0.11 -0.31 -0.04 2.40 2.08 2cv9A1 GLN 218 HG3 -0.07 0.03 -0.09 -0.04 2.39 2.23 2cv9A1 GLN 218 HE21 -0.02 -0.09 -0.10 -0.04 6.97 6.72 2cv9A1 GLN 218 HE22 -0.04 0.12 -0.25 -0.04 7.69 7.48 2cv9A1 PRO 219 HA 0.02 0.02 0.44 -0.51 4.44 4.40 2cv9A1 PRO 219 HB2 0.01 0.02 -0.03 -0.04 2.28 2.24 2cv9A1 PRO 219 HB3 0.03 0.03 0.09 -0.04 2.02 2.13 2cv9A1 PRO 219 HG2 -0.00 0.02 0.05 -0.04 2.03 2.06 2cv9A1 PRO 219 HG3 0.00 0.03 0.03 -0.04 2.03 2.05 2cv9A1 PRO 219 HD2 -0.02 0.07 0.16 -0.04 3.68 3.85 2cv9A1 PRO 219 HD3 -0.02 0.19 0.09 -0.04 3.65 3.87 2cv9A1 PHE 220 H 0.17 0.07 0.18 -0.55 8.34 8.21 2cv9A1 PHE 220 HA 0.03 0.10 0.58 -0.75 4.62 4.57 2cv9A1 PHE 220 HB2 0.02 0.04 0.08 -0.04 3.15 3.25 2cv9A1 PHE 220 HB3 0.02 -0.03 0.10 -0.04 3.06 3.12 2cv9A1 PHE 220 HD2 0.23 -0.02 -0.17 -0.04 7.28 7.28 2cv9A1 PHE 220 HE2 0.15 0.09 -0.06 -0.04 7.38 7.51 2cv9A1 PHE 220 HZ 0.04 0.07 -0.19 -0.04 7.32 7.19 2cv9A1 ARG 221 H -0.82 0.20 0.22 -0.55 8.46 7.50 2cv9A1 ARG 221 HA -0.19 0.16 0.84 -0.75 4.34 4.40 2cv9A1 ARG 221 HB2 -0.18 -0.15 0.14 -0.04 1.90 1.67 2cv9A1 ARG 221 HB3 -0.13 0.07 0.06 -0.04 1.80 1.76 2cv9A1 ARG 221 HG2 -0.05 0.06 -0.08 -0.04 1.67 1.56 2cv9A1 ARG 221 HG3 -0.08 0.12 -0.51 -0.04 1.67 1.16 2cv9A1 ARG 221 HD2 -0.03 0.02 -0.05 -0.04 3.22 3.12 2cv9A1 ARG 221 HD3 -0.04 -0.08 -0.02 -0.04 3.22 3.04 2cv9A1 ALA 222 H -0.09 0.15 0.19 -0.55 8.40 8.11 2cv9A1 ALA 222 HA -0.10 0.22 0.70 -0.75 4.34 4.40 2cv9A1 ALA 222 HB3 0.14 0.07 0.12 -0.04 1.41 1.70 2cv9A1 ALA 223 H -0.04 0.65 0.27 -0.55 8.40 8.73 2cv9A1 ALA 223 HA -0.04 0.03 0.70 -0.75 4.34 4.27 2cv9A1 ALA 223 HB3 -0.04 0.03 -0.21 -0.04 1.41 1.15 2cv9A1 GLN 224 H 0.00 0.16 0.21 -0.55 8.47 8.30 2cv9A1 GLN 224 HA 0.02 0.16 0.94 -0.75 4.36 4.72 2cv9A1 GLN 224 HB2 0.01 -0.02 0.10 -0.04 2.15 2.20 2cv9A1 GLN 224 HB3 0.02 0.00 0.05 -0.04 2.02 2.05 2cv9A1 GLN 224 HG2 0.00 0.03 -0.06 -0.04 2.40 2.33 2cv9A1 GLN 224 HG3 0.01 -0.01 0.00 -0.04 2.39 2.35 2cv9A1 GLN 224 HE21 0.03 -0.10 -0.06 -0.04 6.97 6.79 2cv9A1 GLN 224 HE22 0.01 0.09 -0.17 -0.04 7.69 7.57 2cv9A1 GLY 225 H 0.05 0.31 0.19 -0.55 8.43 8.44 2cv9A1 GLY 225 HA2 0.05 0.04 0.32 -0.51 4.01 3.91 2cv9A1 GLY 225 HA3 0.13 0.12 0.47 -0.51 4.01 4.22 2cv9A1 LYS 226 H 0.18 0.13 0.15 -0.55 8.42 8.33 2cv9A1 LYS 226 HA 0.06 0.04 0.55 -0.75 4.32 4.22 2cv9A1 LYS 226 HB2 0.19 -0.06 0.18 -0.04 1.87 2.14 2cv9A1 LYS 226 HB3 0.04 0.20 0.08 -0.04 1.79 2.06 2cv9A1 LYS 226 HG2 0.03 -0.11 0.04 -0.04 1.46 1.38 2cv9A1 LYS 226 HG3 0.02 0.06 0.05 -0.04 1.46 1.55 2cv9A1 LYS 226 HD2 -0.01 0.15 -0.09 -0.04 1.69 1.69 2cv9A1 LYS 226 HD3 0.03 -0.07 -0.02 -0.04 1.68 1.58 2cv9A1 LYS 226 HE2 -0.01 0.04 -0.02 -0.04 2.99 2.97 2cv9A1 LYS 226 HE3 -0.00 -0.07 -0.08 -0.04 2.99 2.79 2cv9A1 ALA 227 H 0.06 0.10 0.17 -0.55 8.40 8.19 2cv9A1 ALA 227 HA 0.06 0.19 0.59 -0.75 4.34 4.42 2cv9A1 ALA 227 HB3 0.11 -0.01 -0.15 -0.04 1.41 1.32 2cv9A1 ARG 228 H 0.16 0.53 0.32 -0.55 8.46 8.92 2cv9A1 ARG 228 HA -0.02 0.16 1.00 -0.75 4.34 4.72 2cv9A1 ARG 228 HB2 0.25 0.00 0.08 -0.04 1.90 2.20 2cv9A1 ARG 228 HB3 -0.21 0.04 -0.01 -0.04 1.80 1.58 2cv9A1 ARG 228 HG2 -0.09 0.06 -0.17 -0.04 1.67 1.43 2cv9A1 ARG 228 HG3 0.04 -0.06 -0.08 -0.04 1.67 1.52 2cv9A1 ARG 228 HD2 -0.18 0.01 -0.07 -0.04 3.22 2.94 2cv9A1 ARG 228 HD3 -0.15 -0.02 -0.05 -0.04 3.22 2.96 2cv9A1 PHE 229 H 0.24 0.82 0.32 -0.55 8.34 9.16 2cv9A1 PHE 229 HA 0.18 0.13 0.76 -0.75 4.62 4.94 2cv9A1 PHE 229 HB2 0.45 -0.00 -0.07 -0.04 3.15 3.48 2cv9A1 PHE 229 HB3 0.42 -0.06 0.16 -0.04 3.06 3.54 2cv9A1 PHE 229 HD2 0.30 -0.04 -0.37 -0.04 7.28 7.13 2cv9A1 PHE 229 HE2 -0.04 -0.02 -0.19 -0.04 7.38 7.09 2cv9A1 PHE 229 HZ -0.12 0.02 -0.19 -0.04 7.32 6.99 2cv9A1 HIS 230 H -0.06 0.31 0.07 -0.55 8.41 8.17 2cv9A1 HIS 230 HA 0.14 0.34 1.08 -0.75 4.63 5.44 2cv9A1 HIS 230 HB2 0.07 0.04 -0.08 -0.04 3.26 3.25 2cv9A1 HIS 230 HB3 0.06 0.24 0.04 -0.04 3.20 3.49 2cv9A1 HIS 230 HD2 0.26 0.02 -0.13 -0.04 6.97 7.07 2cv9A1 HIS 230 HE1 -0.10 -0.03 -0.05 -0.04 7.75 7.52 2cv9A1 ALA 231 H 0.27 0.54 0.33 -0.55 8.40 8.99 2cv9A1 ALA 231 HA 0.07 0.11 0.88 -0.75 4.34 4.65 2cv9A1 ALA 231 HB3 -0.03 -0.01 -0.24 -0.04 1.41 1.09 2cv9A1 THR 232 H 0.10 0.50 0.29 -0.55 8.28 8.62 2cv9A1 THR 232 HA 0.11 0.18 1.03 -0.75 4.39 4.96 2cv9A1 THR 232 HB 0.03 -0.04 0.06 -0.04 4.32 4.33 2cv9A1 THR 232 HG23 0.01 0.01 -0.25 -0.04 1.22 0.94 2cv9A1 GLU 233 H 0.08 0.76 0.27 -0.55 8.60 9.16 2cv9A1 GLU 233 HA -0.05 0.20 0.84 -0.75 4.29 4.53 2cv9A1 GLU 233 HB2 0.08 -0.07 0.06 -0.04 2.09 2.12 2cv9A1 GLU 233 HB3 0.13 0.05 -0.00 -0.04 1.99 2.13 2cv9A1 GLU 233 HG2 0.06 -0.03 -0.13 -0.04 2.34 2.20 2cv9A1 GLU 233 HG3 0.18 0.16 -0.00 -0.04 2.34 2.64 2cv9A1 LEU 234 H -0.11 0.68 0.37 -0.55 8.37 8.76 2cv9A1 LEU 234 HA -0.17 0.30 1.09 -0.75 4.35 4.82 2cv9A1 LEU 234 HB2 -0.44 -0.05 0.11 -0.04 1.64 1.22 2cv9A1 LEU 234 HB3 -0.86 0.00 -0.07 -0.04 1.64 0.68 2cv9A1 LEU 234 HG -0.06 0.02 -0.40 -0.04 1.64 1.17 2cv9A1 LEU 234 HD13 0.10 -0.02 -0.19 -0.04 0.93 0.77 2cv9A1 LEU 234 HD23 0.02 0.02 -0.12 -0.04 0.89 0.77 2cv9A1 VAL 235 H -0.18 0.63 0.30 -0.55 8.24 8.44 2cv9A1 VAL 235 HA -0.20 0.21 1.02 -0.75 4.13 4.41 2cv9A1 VAL 235 HB -0.02 -0.11 0.15 -0.04 2.12 2.11 2cv9A1 VAL 235 HG13 -0.01 0.01 -0.11 -0.04 0.97 0.82 2cv9A1 VAL 235 HG23 -0.03 0.03 -0.16 -0.04 0.95 0.75 2cv9A1 PHE 236 H -0.17 0.34 0.13 -0.55 8.34 8.09 2cv9A1 PHE 236 HA -0.14 0.18 1.04 -0.75 4.62 4.94 2cv9A1 PHE 236 HB2 -0.81 0.02 0.05 -0.04 3.15 2.37 2cv9A1 PHE 236 HB3 -1.50 0.03 -0.12 -0.04 3.06 1.43 2cv9A1 PHE 236 HD2 -0.22 0.07 -0.09 -0.04 7.28 6.99 2cv9A1 PHE 236 HE2 0.02 0.03 -0.20 -0.04 7.38 7.19 2cv9A1 PHE 236 HZ 0.04 -0.02 -0.20 -0.04 7.32 7.09 2cv9A1 GLU 237 H 0.15 0.59 0.26 -0.55 8.60 9.04 2cv9A1 GLU 237 HA 0.16 0.13 0.80 -0.75 4.29 4.63 2cv9A1 GLU 237 HB2 0.07 0.02 0.01 -0.04 2.09 2.15 2cv9A1 GLU 237 HB3 0.08 -0.02 0.08 -0.04 1.99 2.09 2cv9A1 GLU 237 HG2 0.04 0.15 -0.06 -0.04 2.34 2.43 2cv9A1 GLU 237 HG3 0.03 -0.17 -0.66 -0.04 2.34 1.51 2cv9A1 GLY 238 H 0.15 0.18 0.16 -0.55 8.43 8.37 2cv9A1 GLY 238 HA2 0.08 0.02 0.36 -0.51 4.01 3.97 2cv9A1 GLY 238 HA3 0.08 0.09 0.39 -0.51 4.01 4.07 2cv9A1 GLY 239 H 0.35 -0.02 -0.57 -0.55 8.43 7.65 2cv9A1 GLY 239 HA2 -0.17 0.03 0.24 -0.51 4.01 3.60 2cv9A1 GLY 239 HA3 -0.03 0.12 0.58 -0.51 4.01 4.17 2cv9A1 ARG 240 H 0.20 0.41 -0.22 -0.55 8.46 8.30 2cv9A1 ARG 240 HA 0.08 0.28 0.96 -0.75 4.34 4.90 2cv9A1 ARG 240 HB2 0.08 -0.03 -0.01 -0.04 1.90 1.91 2cv9A1 ARG 240 HB3 0.07 0.09 -0.02 -0.04 1.80 1.90 2cv9A1 ARG 240 HG2 0.05 0.01 -0.25 -0.04 1.67 1.43 2cv9A1 ARG 240 HG3 0.04 -0.06 -0.04 -0.04 1.67 1.56 2cv9A1 ARG 240 HD2 0.02 0.34 -0.02 -0.04 3.22 3.52 2cv9A1 ARG 240 HD3 0.01 -0.07 -0.02 -0.04 3.22 3.10 2cv9A1 PRO 241 HA 0.38 -0.01 0.71 -0.51 4.44 5.00 2cv9A1 PRO 241 HB2 0.18 -0.01 0.17 -0.04 2.28 2.58 2cv9A1 PRO 241 HB3 0.06 -0.07 0.20 -0.04 2.02 2.16 2cv9A1 PRO 241 HG2 0.06 0.14 0.28 -0.04 2.03 2.47 2cv9A1 PRO 241 HG3 0.03 0.06 0.17 -0.04 2.03 2.25 2cv9A1 PRO 241 HD2 0.04 0.10 0.26 -0.04 3.68 4.05 2cv9A1 PRO 241 HD3 0.00 0.11 0.17 -0.04 3.65 3.90 2cv9A1 VAL 242 H 0.20 0.46 0.47 -0.55 8.24 8.82 2cv9A1 VAL 242 HA 0.08 0.18 0.78 -0.75 4.13 4.42 2cv9A1 VAL 242 HB 0.07 -0.03 0.03 -0.04 2.12 2.15 2cv9A1 VAL 242 HG13 0.04 -0.02 -0.14 -0.04 0.97 0.81 2cv9A1 VAL 242 HG23 0.08 0.03 -0.02 -0.04 0.95 1.00 2cv9A1 ALA 243 H 0.06 0.29 0.27 -0.55 8.40 8.48 2cv9A1 ALA 243 HA 0.05 0.13 0.51 -0.75 4.34 4.27 2cv9A1 ALA 243 HB3 0.03 0.03 -0.09 -0.04 1.41 1.34 2cv9A1 ILE 244 H 0.04 0.28 0.16 -0.55 8.25 8.18 2cv9A1 ILE 244 HA 0.00 0.35 0.98 -0.75 4.18 4.76 2cv9A1 ILE 244 HB 0.04 -0.01 -0.07 -0.04 1.89 1.81 2cv9A1 ILE 244 HG12 0.01 -0.03 -0.21 -0.04 1.49 1.22 2cv9A1 ILE 244 HG13 0.01 0.07 -0.02 -0.04 1.21 1.22 2cv9A1 ILE 244 HG23 0.04 0.01 -0.01 -0.04 0.93 0.93 2cv9A1 ILE 244 HD13 -0.02 -0.02 -0.14 -0.04 0.88 0.67 2cv9A1 SER 245 H 0.03 0.51 0.21 -0.55 8.46 8.66 2cv9A1 SER 245 HA 0.05 0.19 0.84 -0.75 4.49 4.82 2cv9A1 SER 245 HB2 0.09 -0.07 0.04 -0.04 3.95 3.96 2cv9A1 SER 245 HB3 0.09 0.09 -0.01 -0.04 3.93 4.06 2cv9A1 PRO 246 HA 0.11 0.11 0.69 -0.51 4.44 4.83 2cv9A1 PRO 246 HB2 0.06 -0.01 0.08 -0.04 2.28 2.37 2cv9A1 PRO 246 HB3 0.07 0.07 0.13 -0.04 2.02 2.25 2cv9A1 PRO 246 HG2 0.02 -0.00 0.13 -0.04 2.03 2.14 2cv9A1 PRO 246 HG3 0.02 0.00 0.11 -0.04 2.03 2.12 2cv9A1 PRO 246 HD2 0.04 0.12 0.24 -0.04 3.68 4.04 2cv9A1 PRO 246 HD3 0.03 0.14 0.10 -0.04 3.65 3.88 2cv9A1 TYR 247 H 0.25 0.86 0.51 -0.55 8.29 9.36 2cv9A1 TYR 247 HA 0.12 0.14 0.93 -0.75 4.56 4.99 2cv9A1 TYR 247 HB2 0.14 0.04 -0.15 -0.04 3.06 3.05 2cv9A1 TYR 247 HB3 0.19 -0.08 -0.10 -0.04 2.98 2.94 2cv9A1 TYR 247 HD2 0.32 -0.01 -0.26 -0.04 7.15 7.16 2cv9A1 TYR 247 HE2 0.19 -0.02 -0.17 -0.04 6.85 6.80 2cv9A1 VAL 248 H -0.59 0.23 0.17 -0.55 8.24 7.51 2cv9A1 VAL 248 HA -0.05 0.43 1.06 -0.75 4.13 4.81 2cv9A1 VAL 248 HB -0.15 -0.04 0.00 -0.04 2.12 1.88 2cv9A1 VAL 248 HG13 -0.32 -0.01 -0.11 -0.04 0.97 0.49 2cv9A1 VAL 248 HG23 0.04 0.02 -0.27 -0.04 0.95 0.70 2cv9A1 TRP 249 H 0.08 0.50 0.26 -0.55 7.97 8.26 2cv9A1 TRP 249 HA -0.26 0.14 0.81 -0.75 4.62 4.56 2cv9A1 TRP 249 HB2 -0.31 0.06 -0.13 -0.04 3.23 2.81 2cv9A1 TRP 249 HB3 -0.24 -0.06 0.06 -0.04 3.23 2.95 2cv9A1 TRP 249 HD1 -0.26 0.01 0.03 -0.04 7.22 6.96 2cv9A1 TRP 249 HE1 -0.09 -0.03 -0.01 -0.04 10.20 10.03 2cv9A1 TRP 249 HE3 -0.08 -0.11 -0.21 -0.04 7.59 7.15 2cv9A1 TRP 249 HZ2 -0.02 -0.03 -0.03 -0.04 7.44 7.32 2cv9A1 TRP 249 HZ3 0.02 -0.07 -0.13 -0.04 7.13 6.92 2cv9A1 TRP 249 HH2 0.00 -0.06 -0.07 -0.04 7.19 7.03 2cv9A1 GLU 250 H -0.77 0.18 0.12 -0.55 8.60 7.59 2cv9A1 GLU 250 HA -0.46 0.14 1.01 -0.75 4.29 4.22 2cv9A1 GLU 250 HB2 -0.43 -0.02 0.06 -0.04 2.09 1.65 2cv9A1 GLU 250 HB3 -0.35 0.11 -0.05 -0.04 1.99 1.65 2cv9A1 GLU 250 HG2 -0.23 0.02 -0.03 -0.04 2.34 2.06 2cv9A1 GLU 250 HG3 -0.26 -0.05 -0.12 -0.04 2.34 1.87 2cv9A1 GLU 251 H -0.45 0.51 0.27 -0.55 8.60 8.39 2cv9A1 GLU 251 HA -1.04 0.14 0.58 -0.75 4.29 3.21 2cv9A1 GLU 251 HB2 -0.01 0.03 0.04 -0.04 2.09 2.11 2cv9A1 GLU 251 HB3 -0.09 -0.04 0.22 -0.04 1.99 2.04 2cv9A1 GLU 251 HG2 0.02 -0.04 -0.12 -0.04 2.34 2.16 2cv9A1 GLU 251 HG3 0.28 0.06 -0.02 -0.04 2.34 2.61 2cv9A1 PRO 252 HA -0.13 0.14 0.37 -0.51 4.44 4.30 2cv9A1 PRO 252 HB2 -0.04 0.00 0.06 -0.04 2.28 2.27 2cv9A1 PRO 252 HB3 -0.10 0.05 0.03 -0.04 2.02 1.95 2cv9A1 PRO 252 HG2 0.03 0.00 0.06 -0.04 2.03 2.08 2cv9A1 PRO 252 HG3 0.04 0.05 0.06 -0.04 2.03 2.14 2cv9A1 PRO 252 HD2 -0.00 0.06 0.19 -0.04 3.68 3.90 2cv9A1 PRO 252 HD3 -0.34 0.30 0.20 -0.04 3.65 3.77