============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. HIS 10 0.900 15.431 18.029 38.584 -99.200 -91.000 TYR 19 0.840 16.372 18.672 53.390 -99.200 -91.000 HIS 22 0.900 7.816 21.569 50.123 -99.200 -91.000 HIS 23 0.900 5.848 22.578 57.793 -99.200 -91.000 HIS 24 0.900 14.265 21.731 57.552 -99.200 -91.000 TYR 43 0.840 14.636 4.486 48.271 -99.200 -91.000 PHE 46 1.000 21.195 10.682 45.497 -99.200 -91.000 PHE 50 1.000 24.154 9.625 57.218 -99.200 -91.000 TYR 58 0.840 24.989 21.206 44.590 -99.200 -91.000 PHE 60 1.000 30.232 21.057 54.355 -99.200 -91.000 PHE 74 1.000 37.589 40.400 51.870 -99.200 -91.000 TRP 82 1.040 32.340 41.161 55.471 -99.200 -91.000 TRP6 82 1.020 32.997 39.010 56.157 -99.200 -91.000 PHE 85 1.000 31.471 34.059 51.810 -99.200 -91.000 PHE 90 1.000 19.757 36.535 55.592 -99.200 -91.000 HIS 134 0.900 41.365 44.828 52.820 -99.200 -91.000 HIS 138 0.900 36.838 44.682 67.837 -99.200 -91.000 HIS 139 0.900 42.162 43.447 63.737 -99.200 -91.000 TYR 146 0.840 31.482 34.985 59.292 -99.200 -91.000 HIS 169 0.900 15.635 35.667 58.012 -99.200 -91.000 TYR 176 0.840 26.550 37.759 62.240 -99.200 -91.000 HIS 182 0.900 30.242 49.826 63.480 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2o7tA1 ARG 2 HA -0.00 -0.00 0.24 -0.75 4.34 3.82 2o7tA1 ARG 2 HB2 -0.01 -0.09 0.07 -0.04 1.90 1.83 2o7tA1 ARG 2 HB3 -0.01 -0.07 0.04 -0.04 1.80 1.72 2o7tA1 ARG 2 HG2 -0.01 0.04 0.06 -0.04 1.67 1.72 2o7tA1 ARG 2 HG3 -0.01 0.05 0.05 -0.04 1.67 1.73 2o7tA1 ARG 2 HD2 -0.01 -0.02 0.02 -0.04 3.22 3.17 2o7tA1 ARG 2 HD3 -0.01 0.06 0.02 -0.04 3.22 3.25 2o7tA1 ALA 3 H -0.00 0.18 0.12 -0.55 8.40 8.15 2o7tA1 ALA 3 HA 0.00 0.10 0.40 -0.75 4.34 4.09 2o7tA1 ALA 3 HB3 -0.00 0.02 0.10 -0.04 1.41 1.49 2o7tA1 ASP 4 H -0.01 0.10 -0.20 -0.55 8.40 7.75 2o7tA1 ASP 4 HA -0.01 0.11 0.52 -0.75 4.63 4.50 2o7tA1 ASP 4 HB2 -0.01 0.05 0.05 -0.04 2.71 2.76 2o7tA1 ASP 4 HB3 -0.01 0.02 0.07 -0.04 2.70 2.74 2o7tA1 ALA 5 H -0.01 0.26 -0.25 -0.55 8.40 7.85 2o7tA1 ALA 5 HA -0.01 0.06 0.54 -0.75 4.34 4.17 2o7tA1 ALA 5 HB3 -0.02 0.06 0.09 -0.04 1.41 1.50 2o7tA1 LEU 6 H -0.01 0.49 -0.09 -0.55 8.37 8.22 2o7tA1 LEU 6 HA -0.01 0.07 0.45 -0.75 4.35 4.11 2o7tA1 LEU 6 HB2 -0.00 0.05 0.06 -0.04 1.64 1.71 2o7tA1 LEU 6 HB3 0.00 0.09 0.15 -0.04 1.64 1.84 2o7tA1 LEU 6 HG 0.01 -0.01 -0.17 -0.04 1.64 1.43 2o7tA1 LEU 6 HD13 0.01 -0.01 0.04 -0.04 0.93 0.93 2o7tA1 LEU 6 HD23 0.01 -0.01 -0.02 -0.04 0.89 0.83 2o7tA1 LYS 7 H 0.00 0.43 -0.13 -0.55 8.42 8.17 2o7tA1 LYS 7 HA 0.01 0.04 0.51 -0.75 4.32 4.14 2o7tA1 LYS 7 HB2 -0.01 0.06 0.12 -0.04 1.87 2.00 2o7tA1 LYS 7 HB3 -0.00 -0.01 0.01 -0.04 1.79 1.74 2o7tA1 ARG 8 H 0.00 0.37 -0.28 -0.55 8.46 8.00 2o7tA1 ARG 8 HA 0.04 0.06 0.46 -0.75 4.34 4.14 2o7tA1 ARG 8 HB2 -0.00 0.16 0.19 -0.04 1.90 2.21 2o7tA1 ARG 8 HB3 0.00 0.09 0.16 -0.04 1.80 2.00 2o7tA1 ARG 8 HG2 0.04 -0.02 -0.09 -0.04 1.67 1.55 2o7tA1 ARG 8 HG3 0.02 0.03 0.04 -0.04 1.67 1.72 2o7tA1 ARG 8 HD2 0.00 -0.02 -0.01 -0.04 3.22 3.16 2o7tA1 ARG 8 HD3 0.01 -0.06 -0.01 -0.04 3.22 3.12 2o7tA1 ARG 9 H 0.01 0.54 -0.15 -0.55 8.46 8.31 2o7tA1 ARG 9 HA 0.09 0.02 0.41 -0.75 4.34 4.09 2o7tA1 ARG 9 HB2 -0.06 0.05 0.13 -0.04 1.90 1.99 2o7tA1 ARG 9 HB3 0.01 0.12 0.17 -0.04 1.80 2.05 2o7tA1 ARG 9 HG2 0.12 -0.03 -0.21 -0.04 1.67 1.51 2o7tA1 ARG 9 HG3 -0.06 -0.01 0.02 -0.04 1.67 1.58 2o7tA1 ARG 9 HD2 -0.13 0.01 0.01 -0.04 3.22 3.07 2o7tA1 ARG 9 HD3 -0.01 -0.02 0.01 -0.04 3.22 3.15 2o7tA1 GLU 10 H 0.03 0.42 -0.25 -0.55 8.60 8.25 2o7tA1 GLU 10 HA -0.06 0.03 0.47 -0.75 4.29 3.98 2o7tA1 GLU 10 HB2 0.01 0.10 0.15 -0.04 2.09 2.31 2o7tA1 GLU 10 HB3 -0.05 -0.06 0.03 -0.04 1.99 1.87 2o7tA1 HIS 11 H 0.10 0.56 -0.17 -0.55 8.41 8.35 2o7tA1 HIS 11 HA -0.06 -0.02 0.54 -0.75 4.63 4.34 2o7tA1 HIS 11 HB2 -0.03 -0.01 0.12 -0.04 3.26 3.31 2o7tA1 HIS 11 HB3 -0.02 0.13 0.18 -0.04 3.20 3.44 2o7tA1 HIS 11 HD2 -0.02 0.06 -0.06 -0.04 6.97 6.90 2o7tA1 HIS 11 HE1 -0.03 -0.01 0.01 -0.04 7.75 7.67 2o7tA1 ILE 12 H 0.06 0.49 -0.20 -0.55 8.25 8.04 2o7tA1 ILE 12 HA -0.13 0.04 0.43 -0.75 4.18 3.77 2o7tA1 ILE 12 HB 0.19 0.15 0.12 -0.04 1.89 2.32 2o7tA1 ILE 12 HG12 0.06 -0.06 -0.04 -0.04 1.49 1.41 2o7tA1 ILE 12 HG13 0.11 0.17 0.03 -0.04 1.21 1.48 2o7tA1 ILE 12 HG23 -0.03 -0.02 -0.15 -0.04 0.93 0.69 2o7tA1 ILE 12 HD13 0.13 -0.04 -0.12 -0.04 0.88 0.81 2o7tA1 ILE 13 H -0.08 0.46 -0.19 -0.55 8.25 7.89 2o7tA1 ILE 13 HA -0.25 0.06 0.44 -0.75 4.18 3.68 2o7tA1 ILE 13 HB -0.25 0.11 0.18 -0.04 1.89 1.89 2o7tA1 ILE 13 HG12 -0.24 0.01 -0.07 -0.04 1.49 1.14 2o7tA1 ILE 13 HG13 0.00 0.09 0.05 -0.04 1.21 1.32 2o7tA1 ILE 13 HG23 -0.32 -0.02 -0.12 -0.04 0.93 0.43 2o7tA1 ILE 13 HD13 0.08 -0.01 -0.07 -0.04 0.88 0.84 2o7tA1 THR 14 H -0.25 0.56 -0.04 -0.55 8.28 8.00 2o7tA1 THR 14 HA -0.17 0.00 0.45 -0.75 4.39 3.91 2o7tA1 THR 14 HB -0.19 0.00 0.13 -0.04 4.32 4.22 2o7tA1 THR 14 HG23 -0.05 -0.02 -0.07 -0.04 1.22 1.04 2o7tA1 THR 15 H -0.32 0.63 -0.22 -0.55 8.28 7.83 2o7tA1 THR 15 HA -0.20 0.02 0.41 -0.75 4.39 3.87 2o7tA1 THR 15 HB -0.28 0.10 0.13 -0.04 4.32 4.22 2o7tA1 THR 15 HG23 -0.18 -0.02 -0.25 -0.04 1.22 0.73 2o7tA1 THR 16 H -0.22 0.49 -0.24 -0.55 8.28 7.77 2o7tA1 THR 16 HA -0.31 -0.02 0.40 -0.75 4.39 3.72 2o7tA1 THR 16 HB -0.20 0.11 0.15 -0.04 4.32 4.34 2o7tA1 THR 16 HG23 -0.31 -0.02 -0.10 -0.04 1.22 0.74 2o7tA1 CYS 17 H -0.10 0.52 -0.10 -0.55 8.50 8.27 2o7tA1 CYS 17 HA 0.12 0.02 0.36 -0.75 4.58 4.32 2o7tA1 CYS 17 HB2 -0.01 0.02 0.17 -0.04 2.97 3.11 2o7tA1 CYS 17 HB3 0.04 0.01 0.02 -0.04 2.97 2.99 2o7tA1 ASN 18 H -0.07 0.54 -0.17 -0.55 8.53 8.28 2o7tA1 ASN 18 HA -0.01 0.03 0.44 -0.75 4.76 4.47 2o7tA1 ASN 18 HB2 -0.08 0.13 0.16 -0.04 2.88 3.04 2o7tA1 ASN 18 HB3 -0.03 -0.06 -0.01 -0.04 2.79 2.64 2o7tA1 ASN 18 HD21 -0.03 -0.08 -0.05 -0.04 7.03 6.83 2o7tA1 ASN 18 HD22 -0.06 -0.02 -0.06 -0.04 7.74 7.56 2o7tA1 LEU 19 H -0.15 0.62 -0.12 -0.55 8.37 8.18 2o7tA1 LEU 19 HA -0.09 -0.04 0.45 -0.75 4.35 3.92 2o7tA1 LEU 19 HB2 -0.35 0.13 0.18 -0.04 1.64 1.56 2o7tA1 LEU 19 HB3 -0.37 -0.08 -0.03 -0.04 1.64 1.13 2o7tA1 LEU 19 HG -0.24 0.14 0.03 -0.04 1.64 1.54 2o7tA1 LEU 19 HD13 -0.28 -0.03 -0.08 -0.04 0.93 0.50 2o7tA1 LEU 19 HD23 -0.65 -0.03 -0.02 -0.04 0.89 0.15 2o7tA1 TYR 20 H -0.09 0.58 -0.18 -0.55 8.29 8.05 2o7tA1 TYR 20 HA 0.07 0.03 0.37 -0.75 4.56 4.27 2o7tA1 TYR 20 HB2 -0.10 0.14 0.11 -0.04 3.06 3.16 2o7tA1 TYR 20 HB3 -0.19 -0.02 -0.02 -0.04 2.98 2.71 2o7tA1 TYR 20 HD2 -0.17 -0.02 -0.05 -0.04 7.15 6.87 2o7tA1 TYR 20 HE2 -0.12 -0.02 -0.03 -0.04 6.85 6.65 2o7tA1 ARG 21 H 0.08 0.31 -0.44 -0.55 8.46 7.87 2o7tA1 ARG 21 HA 0.08 0.07 0.66 -0.75 4.34 4.40 2o7tA1 ARG 21 HB2 0.02 0.14 0.14 -0.04 1.90 2.16 2o7tA1 ARG 21 HB3 0.00 -0.07 0.04 -0.04 1.80 1.74 2o7tA1 ARG 21 HG2 -0.01 -0.07 -0.02 -0.04 1.67 1.53 2o7tA1 ARG 21 HG3 0.03 -0.00 -0.06 -0.04 1.67 1.59 2o7tA1 ARG 21 HD2 0.01 0.05 -0.09 -0.04 3.22 3.15 2o7tA1 ARG 21 HD3 -0.01 -0.06 -0.03 -0.04 3.22 3.09 2o7tA1 THR 22 H 0.11 0.30 -0.11 -0.55 8.28 8.02 2o7tA1 THR 22 HA -0.03 0.19 1.02 -0.75 4.39 4.81 2o7tA1 THR 22 HB -0.02 -0.10 0.06 -0.04 4.32 4.22 2o7tA1 THR 22 HG23 0.02 0.01 -0.08 -0.04 1.22 1.13 2o7tA1 HIS 23 H 0.19 0.74 0.14 -0.55 8.41 8.94 2o7tA1 HIS 23 HA -0.16 0.09 0.89 -0.75 4.63 4.70 2o7tA1 HIS 23 HB2 -0.03 0.15 -0.02 -0.04 3.26 3.32 2o7tA1 HIS 23 HB3 -0.02 -0.04 -0.06 -0.04 3.20 3.04 2o7tA1 HIS 23 HD2 -0.02 -0.04 -0.04 -0.04 6.97 6.83 2o7tA1 HIS 23 HE1 -0.04 -0.00 -0.06 -0.04 7.75 7.60 2o7tA1 HIS 24 H -0.13 0.07 0.12 -0.55 8.41 7.93 2o7tA1 HIS 24 HA -0.10 0.09 0.45 -0.75 4.63 4.32 2o7tA1 HIS 24 HB2 0.02 -0.03 0.14 -0.04 3.26 3.35 2o7tA1 HIS 24 HB3 -0.01 -0.07 0.04 -0.04 3.20 3.12 2o7tA1 HIS 24 HD2 -0.08 0.03 0.03 -0.04 6.97 6.90 2o7tA1 HIS 24 HE1 -0.05 0.00 0.03 -0.04 7.75 7.69 2o7tA1 HIS 25 H -0.11 0.17 0.22 -0.55 8.41 8.14 2o7tA1 HIS 25 HA 0.20 0.15 0.30 -0.75 4.63 4.53 2o7tA1 HIS 25 HB2 0.08 -0.08 0.14 -0.04 3.26 3.36 2o7tA1 HIS 25 HB3 0.14 0.08 0.11 -0.04 3.20 3.49 2o7tA1 HIS 25 HD2 0.22 0.12 0.09 -0.04 6.97 7.36 2o7tA1 HIS 25 HE1 -0.04 0.04 0.09 -0.04 7.75 7.79 2o7tA1 ASP 26 H 0.14 0.03 -0.13 -0.55 8.40 7.89 2o7tA1 ASP 26 HA 0.10 0.17 0.51 -0.75 4.63 4.65 2o7tA1 ASP 26 HB2 0.04 0.01 0.08 -0.04 2.71 2.80 2o7tA1 ASP 26 HB3 0.06 0.01 0.07 -0.04 2.70 2.80 2o7tA1 SER 27 H 0.13 0.29 -0.49 -0.55 8.46 7.85 2o7tA1 SER 27 HA 0.05 0.08 0.56 -0.75 4.49 4.43 2o7tA1 SER 27 HB2 0.10 -0.05 0.08 -0.04 3.95 4.04 2o7tA1 SER 27 HB3 0.13 -0.11 0.05 -0.04 3.93 3.95 2o7tA1 LEU 28 H 0.07 0.32 -0.33 -0.55 8.37 7.88 2o7tA1 LEU 28 HA -0.02 0.00 0.63 -0.75 4.35 4.22 2o7tA1 LEU 28 HB2 -0.04 0.15 0.09 -0.04 1.64 1.81 2o7tA1 LEU 28 HB3 -0.14 -0.05 -0.04 -0.04 1.64 1.38 2o7tA1 LEU 28 HG 0.02 0.07 -0.15 -0.04 1.64 1.53 2o7tA1 LEU 28 HD13 -0.25 0.02 -0.17 -0.04 0.93 0.50 2o7tA1 LEU 28 HD23 -0.21 -0.02 -0.12 -0.04 0.89 0.50 2o7tA1 THR 29 H -0.02 0.07 0.13 -0.55 8.28 7.90 2o7tA1 THR 29 HA 0.01 0.29 0.76 -0.75 4.39 4.70 2o7tA1 THR 29 HB 0.03 0.06 0.15 -0.04 4.32 4.52 2o7tA1 THR 29 HG23 0.02 0.06 -0.15 -0.04 1.22 1.11 2o7tA1 GLU 31 HA 0.05 -0.04 0.36 -0.75 4.29 3.91 2o7tA1 GLU 31 HB2 0.03 -0.01 0.02 -0.04 2.09 2.09 2o7tA1 GLU 31 HB3 0.03 0.04 -0.01 -0.04 1.99 2.01 2o7tA1 GLU 31 HG2 0.05 0.05 0.05 -0.04 2.34 2.45 2o7tA1 GLU 31 HG3 0.08 -0.03 0.09 -0.04 2.34 2.44 2o7tA1 ASN 32 H -0.01 0.13 -0.90 -0.55 8.53 7.20 2o7tA1 ASN 32 HA -0.02 0.06 0.40 -0.75 4.76 4.44 2o7tA1 ASN 32 HB2 -0.05 -0.01 0.18 -0.04 2.88 2.95 2o7tA1 ASN 32 HB3 -0.08 0.06 -0.08 -0.04 2.79 2.66 2o7tA1 ASN 32 HD21 0.02 0.12 0.09 -0.04 7.03 7.22 2o7tA1 ASN 32 HD22 -0.01 -0.03 0.14 -0.04 7.74 7.79 2o7tA1 ILE 33 H -0.08 0.57 0.25 -0.55 8.25 8.45 2o7tA1 ILE 33 HA -0.15 0.10 0.50 -0.75 4.18 3.88 2o7tA1 ILE 33 HB -0.12 -0.02 -0.01 -0.04 1.89 1.71 2o7tA1 ILE 33 HG12 -0.25 0.02 -0.02 -0.04 1.49 1.20 2o7tA1 ILE 33 HG13 -0.16 -0.00 0.02 -0.04 1.21 1.03 2o7tA1 ILE 33 HG23 -0.17 0.00 -0.15 -0.04 0.93 0.57 2o7tA1 ILE 33 HD13 -0.19 0.00 -0.08 -0.04 0.88 0.57 2o7tA1 ALA 34 H -0.04 0.12 -0.25 -0.55 8.40 7.69 2o7tA1 ALA 34 HA -0.01 0.02 0.26 -0.75 4.34 3.86 2o7tA1 ALA 34 HB3 0.02 0.04 -0.10 -0.04 1.41 1.33 2o7tA1 GLU 35 H -0.01 0.47 -0.20 -0.55 8.60 8.31 2o7tA1 GLU 35 HA 0.00 0.02 0.34 -0.75 4.29 3.90 2o7tA1 GLU 35 HB2 0.00 -0.02 0.12 -0.04 2.09 2.14 2o7tA1 GLU 35 HB3 -0.01 0.08 0.19 -0.04 1.99 2.20 2o7tA1 GLN 36 H -0.05 0.51 -0.13 -0.55 8.47 8.25 2o7tA1 GLN 36 HA -0.03 0.02 0.38 -0.75 4.36 3.98 2o7tA1 GLN 36 HB2 -0.12 0.05 0.13 -0.04 2.15 2.17 2o7tA1 GLN 36 HB3 -0.10 -0.03 0.02 -0.04 2.02 1.87 2o7tA1 GLN 36 HG2 -0.08 0.03 0.09 -0.04 2.40 2.40 2o7tA1 GLN 36 HG3 -0.19 -0.03 0.00 -0.04 2.39 2.13 2o7tA1 GLN 36 HE21 0.02 -0.02 -0.02 -0.04 6.97 6.91 2o7tA1 GLN 36 HE22 -0.01 -0.03 -0.03 -0.04 7.69 7.58 2o7tA1 ALA 37 H -0.04 0.54 -0.23 -0.55 8.40 8.13 2o7tA1 ALA 37 HA 0.03 0.07 0.59 -0.75 4.34 4.27 2o7tA1 ALA 37 HB3 -0.00 -0.02 0.05 -0.04 1.41 1.39 2o7tA1 GLY 38 H 0.03 0.43 -0.43 -0.55 8.43 7.91 2o7tA1 GLY 38 HA2 0.02 0.02 0.30 -0.51 4.01 3.84 2o7tA1 GLY 38 HA3 0.03 0.00 0.38 -0.51 4.01 3.91 2o7tA1 VAL 39 H 0.04 0.35 -0.22 -0.55 8.24 7.86 2o7tA1 VAL 39 HA 0.02 0.16 0.88 -0.75 4.13 4.44 2o7tA1 VAL 39 HB 0.03 -0.15 0.07 -0.04 2.12 2.03 2o7tA1 VAL 39 HG13 0.07 0.06 -0.17 -0.04 0.97 0.88 2o7tA1 VAL 39 HG23 0.04 0.03 -0.17 -0.04 0.95 0.80 2o7tA1 GLY 40 H 0.02 0.09 0.12 -0.55 8.43 8.11 2o7tA1 GLY 40 HA2 0.03 0.20 0.61 -0.51 4.01 4.34 2o7tA1 GLY 40 HA3 0.03 -0.01 0.33 -0.51 4.01 3.85 2o7tA1 VAL 41 H 0.05 0.20 0.16 -0.55 8.24 8.11 2o7tA1 VAL 41 HA 0.12 0.12 0.39 -0.75 4.13 4.00 2o7tA1 VAL 41 HB 0.08 -0.04 0.13 -0.04 2.12 2.24 2o7tA1 VAL 41 HG13 0.25 0.03 -0.01 -0.04 0.97 1.19 2o7tA1 VAL 41 HG23 0.06 0.02 0.12 -0.04 0.95 1.12 2o7tA1 ALA 42 H 0.06 0.08 -0.10 -0.55 8.40 7.90 2o7tA1 ALA 42 HA 0.10 0.12 0.33 -0.75 4.34 4.14 2o7tA1 ALA 42 HB3 0.03 0.02 0.03 -0.04 1.41 1.44 2o7tA1 THR 43 H 0.05 0.02 -0.38 -0.55 8.28 7.42 2o7tA1 THR 43 HA 0.02 0.07 0.43 -0.75 4.39 4.15 2o7tA1 THR 43 HB 0.03 0.11 0.08 -0.04 4.32 4.50 2o7tA1 THR 43 HG23 0.01 0.02 -0.10 -0.04 1.22 1.11 2o7tA1 LEU 44 H 0.06 0.50 -0.13 -0.55 8.37 8.25 2o7tA1 LEU 44 HA 0.08 0.02 0.39 -0.75 4.35 4.09 2o7tA1 LEU 44 HB2 0.03 -0.02 0.02 -0.04 1.64 1.63 2o7tA1 LEU 44 HB3 0.05 0.12 0.18 -0.04 1.64 1.95 2o7tA1 LEU 44 HG -0.18 0.08 -0.27 -0.04 1.64 1.23 2o7tA1 LEU 44 HD13 0.05 -0.00 -0.09 -0.04 0.93 0.85 2o7tA1 LEU 44 HD23 -0.11 -0.03 -0.11 -0.04 0.89 0.60 2o7tA1 TYR 45 H 0.22 0.57 -0.13 -0.55 8.29 8.40 2o7tA1 TYR 45 HA 0.07 0.35 0.23 -0.75 4.56 4.45 2o7tA1 TYR 45 HB2 0.02 -0.02 0.05 -0.04 3.06 3.07 2o7tA1 TYR 45 HB3 0.02 -0.02 -0.05 -0.04 2.98 2.89 2o7tA1 TYR 45 HD2 0.04 0.10 -0.02 -0.04 7.15 7.22 2o7tA1 TYR 45 HE2 0.03 -0.03 -0.01 -0.04 6.85 6.80 2o7tA1 ARG 46 H 0.07 0.38 -0.31 -0.55 8.46 8.04 2o7tA1 ARG 46 HA 0.02 0.03 0.51 -0.75 4.34 4.15 2o7tA1 ARG 46 HB2 0.02 0.02 0.11 -0.04 1.90 2.01 2o7tA1 ARG 46 HB3 -0.02 0.04 0.10 -0.04 1.80 1.88 2o7tA1 ARG 46 HG2 -0.04 0.01 -0.07 -0.04 1.67 1.53 2o7tA1 ARG 46 HG3 -0.01 -0.02 0.07 -0.04 1.67 1.67 2o7tA1 ARG 46 HD2 -0.01 -0.02 -0.02 -0.04 3.22 3.13 2o7tA1 ARG 46 HD3 -0.01 -0.03 -0.01 -0.04 3.22 3.13 2o7tA1 ASN 47 H -0.13 0.38 -0.21 -0.55 8.53 8.02 2o7tA1 ASN 47 HA -0.35 0.02 0.53 -0.75 4.76 4.20 2o7tA1 ASN 47 HB2 -0.42 0.16 0.17 -0.04 2.88 2.76 2o7tA1 ASN 47 HB3 -1.58 -0.04 -0.04 -0.04 2.79 1.08 2o7tA1 ASN 47 HD21 -0.08 -0.10 -0.03 -0.04 7.03 6.79 2o7tA1 ASN 47 HD22 -0.09 0.20 -0.03 -0.04 7.74 7.77 2o7tA1 PHE 48 H -0.12 0.53 -0.13 -0.55 8.34 8.07 2o7tA1 PHE 48 HA -0.02 0.13 0.73 -0.75 4.62 4.71 2o7tA1 PHE 48 HB2 -0.14 -0.01 0.06 -0.04 3.15 3.01 2o7tA1 PHE 48 HB3 -0.07 -0.08 -0.03 -0.04 3.06 2.83 2o7tA1 PHE 48 HD2 -0.07 0.04 -0.09 -0.04 7.28 7.12 2o7tA1 PHE 48 HE2 -0.05 -0.03 -0.03 -0.04 7.38 7.23 2o7tA1 PHE 48 HZ -0.05 0.03 -0.02 -0.04 7.32 7.23 2o7tA1 PRO 49 HA 0.22 0.22 0.44 -0.51 4.44 4.81 2o7tA1 PRO 49 HB2 0.11 -0.08 0.00 -0.04 2.28 2.27 2o7tA1 PRO 49 HB3 0.10 0.01 0.11 -0.04 2.02 2.20 2o7tA1 PRO 49 HG2 0.07 -0.03 0.06 -0.04 2.03 2.08 2o7tA1 PRO 49 HG3 0.05 0.14 0.02 -0.04 2.03 2.20 2o7tA1 PRO 49 HD2 0.11 -0.02 0.16 -0.04 3.68 3.89 2o7tA1 PRO 49 HD3 0.03 0.33 -0.02 -0.04 3.65 3.95 2o7tA1 ASP 50 H 0.13 0.19 -0.24 -0.55 8.40 7.93 2o7tA1 ASP 50 HA 0.20 0.18 0.50 -0.75 4.63 4.76 2o7tA1 ASP 50 HB2 0.14 -0.11 0.18 -0.04 2.71 2.88 2o7tA1 ASP 50 HB3 0.15 0.22 -0.03 -0.04 2.70 3.01 2o7tA1 ARG 51 H 0.10 0.20 0.15 -0.55 8.46 8.35 2o7tA1 ARG 51 HA -0.02 0.12 0.36 -0.75 4.34 4.05 2o7tA1 ARG 51 HB2 0.05 0.02 0.13 -0.04 1.90 2.07 2o7tA1 ARG 51 HB3 0.09 -0.03 0.14 -0.04 1.80 1.96 2o7tA1 ARG 51 HG2 0.06 0.08 0.01 -0.04 1.67 1.77 2o7tA1 ARG 51 HG3 0.08 0.04 -0.18 -0.04 1.67 1.56 2o7tA1 ARG 51 HD2 -0.03 -0.09 0.09 -0.04 3.22 3.15 2o7tA1 ARG 51 HD3 -0.02 -0.04 0.01 -0.04 3.22 3.12 2o7tA1 PHE 52 H 0.22 0.06 -0.08 -0.55 8.34 7.99 2o7tA1 PHE 52 HA 0.01 0.14 0.40 -0.75 4.62 4.41 2o7tA1 PHE 52 HB2 0.02 -0.00 0.10 -0.04 3.15 3.23 2o7tA1 PHE 52 HB3 0.03 -0.05 0.04 -0.04 3.06 3.04 2o7tA1 PHE 52 HD2 0.02 -0.01 -0.03 -0.04 7.28 7.21 2o7tA1 PHE 52 HE2 0.02 0.00 -0.00 -0.04 7.38 7.35 2o7tA1 PHE 52 HZ 0.02 0.25 0.04 -0.04 7.32 7.58 2o7tA1 THR 53 H 0.14 -0.02 -0.38 -0.55 8.28 7.48 2o7tA1 THR 53 HA -0.05 0.06 0.37 -0.75 4.39 4.02 2o7tA1 THR 53 HB 0.14 -0.02 0.08 -0.04 4.32 4.48 2o7tA1 THR 53 HG23 0.15 0.03 0.03 -0.04 1.22 1.39 2o7tA1 LEU 54 H -0.03 0.35 -0.11 -0.55 8.37 8.04 2o7tA1 LEU 54 HA -0.63 0.04 0.45 -0.75 4.35 3.46 2o7tA1 LEU 54 HB2 -0.34 -0.02 0.03 -0.04 1.64 1.26 2o7tA1 LEU 54 HB3 -0.18 0.04 0.13 -0.04 1.64 1.58 2o7tA1 LEU 54 HG -0.29 0.04 -0.42 -0.04 1.64 0.94 2o7tA1 LEU 54 HD13 -0.93 -0.00 -0.08 -0.04 0.93 -0.12 2o7tA1 LEU 54 HD23 -0.24 -0.02 -0.09 -0.04 0.89 0.50 2o7tA1 ASP 55 H -0.12 0.58 -0.10 -0.55 8.40 8.22 2o7tA1 ASP 55 HA -0.07 -0.01 0.30 -0.75 4.63 4.10 2o7tA1 ASP 55 HB2 -0.10 0.06 0.18 -0.04 2.71 2.80 2o7tA1 ASP 55 HB3 -0.10 0.03 0.15 -0.04 2.70 2.75 2o7tA1 ALA 57 HA 0.04 -0.17 0.36 -0.75 4.34 3.82 2o7tA1 ALA 57 HB3 0.05 0.01 0.12 -0.04 1.41 1.56 2o7tA1 CYS 58 H -0.12 0.66 -1.14 -0.55 8.50 7.36 2o7tA1 CYS 58 HA 0.01 -0.04 0.55 -0.75 4.58 4.35 2o7tA1 CYS 58 HB2 -0.05 0.22 0.17 -0.04 2.97 3.27 2o7tA1 CYS 58 HB3 -0.00 -0.08 0.00 -0.04 2.97 2.85 2o7tA1 ALA 59 H -0.05 0.72 0.36 -0.55 8.40 8.89 2o7tA1 ALA 59 HA -0.11 0.04 0.49 -0.75 4.34 4.01 2o7tA1 ALA 59 HB3 0.03 0.02 0.02 -0.04 1.41 1.43 2o7tA1 GLN 60 H 0.06 0.22 -0.26 -0.55 8.47 7.95 2o7tA1 GLN 60 HA 0.19 -0.01 0.42 -0.75 4.36 4.20 2o7tA1 GLN 60 HB2 0.07 -0.03 0.06 -0.04 2.15 2.20 2o7tA1 GLN 60 HB3 0.09 0.20 0.12 -0.04 2.02 2.39 2o7tA1 GLN 60 HG2 0.09 0.03 -0.19 -0.04 2.40 2.29 2o7tA1 GLN 60 HG3 0.07 -0.06 -0.02 -0.04 2.39 2.34 2o7tA1 GLN 60 HE21 0.05 -0.01 -0.01 -0.04 6.97 6.95 2o7tA1 GLN 60 HE22 0.06 -0.01 -0.04 -0.04 7.69 7.66 2o7tA1 TYR 61 H 0.18 0.63 -0.12 -0.55 8.29 8.42 2o7tA1 TYR 61 HA 0.03 -0.04 0.44 -0.75 4.56 4.24 2o7tA1 TYR 61 HB2 0.01 0.01 0.15 -0.04 3.06 3.19 2o7tA1 TYR 61 HB3 -0.02 0.18 0.23 -0.04 2.98 3.33 2o7tA1 TYR 61 HD2 -0.01 0.04 -0.02 -0.04 7.15 7.11 2o7tA1 TYR 61 HE2 -0.01 0.00 -0.03 -0.04 6.85 6.77 2o7tA1 LEU 62 H 0.04 0.68 -0.10 -0.55 8.37 8.44 2o7tA1 LEU 62 HA -0.31 -0.01 0.46 -0.75 4.35 3.73 2o7tA1 LEU 62 HB2 -0.20 0.08 0.15 -0.04 1.64 1.63 2o7tA1 LEU 62 HB3 -0.21 -0.06 0.01 -0.04 1.64 1.34 2o7tA1 LEU 62 HG 0.12 0.09 0.08 -0.04 1.64 1.89 2o7tA1 LEU 62 HD13 -0.07 -0.01 -0.08 -0.04 0.93 0.73 2o7tA1 LEU 62 HD23 -0.02 -0.02 -0.00 -0.04 0.89 0.80 2o7tA1 PHE 63 H 0.03 0.75 -0.07 -0.55 8.34 8.50 2o7tA1 PHE 63 HA -0.03 -0.01 0.51 -0.75 4.62 4.33 2o7tA1 PHE 63 HB2 -0.02 0.14 0.16 -0.04 3.15 3.40 2o7tA1 PHE 63 HB3 -0.01 -0.08 -0.05 -0.04 3.06 2.87 2o7tA1 PHE 63 HD2 -0.01 -0.01 -0.11 -0.04 7.28 7.12 2o7tA1 PHE 63 HE2 -0.01 -0.01 -0.06 -0.04 7.38 7.26 2o7tA1 PHE 63 HZ -0.01 -0.00 -0.04 -0.04 7.32 7.23 2o7tA1 ASN 64 H 0.06 0.60 -0.13 -0.55 8.53 8.51 2o7tA1 ASN 64 HA 0.04 -0.03 0.48 -0.75 4.76 4.49 2o7tA1 ASN 64 HB2 -0.04 0.19 0.20 -0.04 2.88 3.19 2o7tA1 ASN 64 HB3 -0.01 -0.07 0.02 -0.04 2.79 2.70 2o7tA1 ASN 64 HD21 0.06 -0.08 -0.04 -0.04 7.03 6.93 2o7tA1 ASN 64 HD22 0.08 0.01 -0.08 -0.04 7.74 7.71 2o7tA1 VAL 65 H -0.23 0.56 -0.14 -0.55 8.24 7.87 2o7tA1 VAL 65 HA -0.11 -0.02 0.47 -0.75 4.13 3.72 2o7tA1 VAL 65 HB -0.27 0.13 0.18 -0.04 2.12 2.13 2o7tA1 VAL 65 HG13 -0.10 -0.02 -0.08 -0.04 0.97 0.73 2o7tA1 VAL 65 HG23 -0.66 0.07 0.03 -0.04 0.95 0.35 2o7tA1 VAL 66 H -0.06 0.75 0.03 -0.55 8.24 8.41 2o7tA1 VAL 66 HA 0.03 -0.00 0.41 -0.75 4.13 3.81 2o7tA1 VAL 66 HB 0.08 0.08 0.16 -0.04 2.12 2.41 2o7tA1 VAL 66 HG13 0.14 -0.02 -0.10 -0.04 0.97 0.95 2o7tA1 VAL 66 HG23 -0.08 0.05 0.04 -0.04 0.95 0.92 2o7tA1 ILE 67 H 0.07 0.72 -0.18 -0.55 8.25 8.32 2o7tA1 ILE 67 HA 0.09 -0.01 0.48 -0.75 4.18 3.98 2o7tA1 ILE 67 HB 0.05 0.16 0.16 -0.04 1.89 2.22 2o7tA1 ILE 67 HG12 0.07 -0.07 -0.06 -0.04 1.49 1.39 2o7tA1 ILE 67 HG13 0.12 0.04 0.04 -0.04 1.21 1.37 2o7tA1 ILE 67 HG23 0.04 -0.03 -0.10 -0.04 0.93 0.80 2o7tA1 ILE 67 HD13 0.04 0.01 -0.05 -0.04 0.88 0.84 2o7tA1 SER 68 H 0.03 0.51 -0.13 -0.55 8.46 8.33 2o7tA1 SER 68 HA 0.04 0.00 0.55 -0.75 4.49 4.32 2o7tA1 SER 68 HB2 0.01 0.00 0.19 -0.04 3.95 4.11 2o7tA1 SER 68 HB3 0.03 0.00 0.04 -0.04 3.93 3.96 2o7tA1 LEU 69 H 0.08 0.60 -0.09 -0.55 8.37 8.41 2o7tA1 LEU 69 HA 0.12 0.02 0.47 -0.75 4.35 4.20 2o7tA1 LEU 69 HB2 0.29 0.09 0.08 -0.04 1.64 2.06 2o7tA1 LEU 69 HB3 0.22 -0.04 0.06 -0.04 1.64 1.85 2o7tA1 LEU 69 HG 0.03 0.15 -0.01 -0.04 1.64 1.77 2o7tA1 LEU 69 HD13 -0.08 -0.00 -0.05 -0.04 0.93 0.76 2o7tA1 LEU 69 HD23 0.02 -0.03 -0.03 -0.04 0.89 0.80 2o7tA1 GLN 70 H 0.19 0.68 -0.06 -0.55 8.47 8.74 2o7tA1 GLN 70 HA -0.07 0.01 0.47 -0.75 4.36 4.01 2o7tA1 GLN 70 HB2 0.09 0.11 0.18 -0.04 2.15 2.48 2o7tA1 GLN 70 HB3 0.02 -0.06 -0.03 -0.04 2.02 1.91 2o7tA1 GLN 70 HG2 0.12 -0.05 -0.02 -0.04 2.40 2.41 2o7tA1 GLN 70 HG3 0.30 0.17 0.04 -0.04 2.39 2.86 2o7tA1 GLN 70 HE21 0.16 0.28 0.09 -0.04 6.97 7.46 2o7tA1 GLN 70 HE22 0.23 -0.04 -0.07 -0.04 7.69 7.77 2o7tA1 LEU 71 H 0.06 0.64 -0.08 -0.55 8.37 8.45 2o7tA1 LEU 71 HA 0.02 -0.00 0.54 -0.75 4.35 4.16 2o7tA1 LEU 71 HB2 0.04 0.04 0.16 -0.04 1.64 1.83 2o7tA1 LEU 71 HB3 0.03 -0.05 0.05 -0.04 1.64 1.63 2o7tA1 LEU 71 HG 0.04 0.21 0.09 -0.04 1.64 1.94 2o7tA1 LEU 71 HD13 0.02 -0.02 -0.04 -0.04 0.93 0.85 2o7tA1 LEU 71 HD23 0.02 -0.02 -0.01 -0.04 0.89 0.84 2o7tA1 GLN 72 H 0.06 0.60 -0.12 -0.55 8.47 8.47 2o7tA1 GLN 72 HA 0.04 0.01 0.51 -0.75 4.36 4.16 2o7tA1 GLN 72 HB2 0.05 -0.03 0.11 -0.04 2.15 2.24 2o7tA1 GLN 72 HB3 0.08 0.10 0.20 -0.04 2.02 2.36 2o7tA1 GLN 72 HG2 0.06 0.02 -0.32 -0.04 2.40 2.12 2o7tA1 GLN 72 HG3 0.04 -0.05 0.01 -0.04 2.39 2.35 2o7tA1 GLN 72 HE21 0.03 -0.01 -0.05 -0.04 6.97 6.90 2o7tA1 GLN 72 HE22 0.04 -0.01 -0.09 -0.04 7.69 7.59 2o7tA1 ALA 73 H 0.06 0.62 -0.14 -0.55 8.40 8.40 2o7tA1 ALA 73 HA 0.07 -0.02 0.31 -0.75 4.34 3.95 2o7tA1 ALA 73 HB3 -0.03 0.01 0.07 -0.04 1.41 1.42 2o7tA1 ILE 74 H 0.01 0.70 -0.05 -0.55 8.25 8.36 2o7tA1 ILE 74 HA 0.04 -0.00 0.41 -0.75 4.18 3.87 2o7tA1 ILE 74 HB 0.00 0.04 0.18 -0.04 1.89 2.07 2o7tA1 ILE 74 HG12 -0.07 -0.06 -0.02 -0.04 1.49 1.29 2o7tA1 ILE 74 HG13 -0.05 0.12 0.09 -0.04 1.21 1.32 2o7tA1 ILE 74 HG23 -0.02 -0.01 -0.10 -0.04 0.93 0.76 2o7tA1 ILE 74 HD13 -0.02 -0.01 -0.01 -0.04 0.88 0.80 2o7tA1 SER 75 H 0.04 0.51 -0.15 -0.55 8.46 8.31 2o7tA1 SER 75 HA 0.04 0.02 0.31 -0.75 4.49 4.09 2o7tA1 SER 75 HB2 0.03 -0.07 0.05 -0.04 3.95 3.91 2o7tA1 SER 75 HB3 0.02 -0.04 0.11 -0.04 3.93 3.98 2o7tA1 THR 76 H 0.06 0.49 -0.24 -0.55 8.28 8.04 2o7tA1 THR 76 HA 0.03 0.04 0.50 -0.75 4.39 4.20 2o7tA1 THR 76 HB 0.03 0.00 0.03 -0.04 4.32 4.34 2o7tA1 THR 76 HG23 -0.01 -0.04 -0.07 -0.04 1.22 1.05 2o7tA1 PHE 77 H 0.18 0.48 -0.23 -0.55 8.34 8.21 2o7tA1 PHE 77 HA -0.03 -0.10 0.13 -0.75 4.62 3.86 2o7tA1 PHE 77 HB2 -0.03 0.28 0.20 -0.04 3.15 3.56 2o7tA1 PHE 77 HB3 -0.03 0.03 0.06 -0.04 3.06 3.08 2o7tA1 PHE 77 HD2 -0.11 0.04 -0.19 -0.04 7.28 6.98 2o7tA1 PHE 77 HE2 0.08 -0.01 -0.11 -0.04 7.38 7.30 2o7tA1 PHE 77 HZ -0.24 -0.04 -0.08 -0.04 7.32 6.93 2o7tA1 PRO 78 HA 0.11 0.02 0.30 -0.51 4.44 4.37 2o7tA1 PRO 78 HB2 0.06 0.03 -0.05 -0.04 2.28 2.28 2o7tA1 PRO 78 HB3 0.10 -0.02 0.08 -0.04 2.02 2.13 2o7tA1 PRO 78 HG2 0.06 0.04 0.03 -0.04 2.03 2.12 2o7tA1 PRO 78 HG3 0.10 -0.01 0.06 -0.04 2.03 2.14 2o7tA1 PRO 78 HD2 0.08 0.25 -0.40 -0.04 3.68 3.58 2o7tA1 PRO 78 HD3 0.17 0.26 0.04 -0.04 3.65 4.08 2o7tA1 THR 79 H -0.00 0.40 -0.34 -0.55 8.28 7.79 2o7tA1 THR 79 HA -0.02 0.23 1.14 -0.75 4.39 4.99 2o7tA1 THR 79 HB -0.01 -0.05 0.21 -0.04 4.32 4.43 2o7tA1 THR 79 HG23 0.01 -0.01 -0.08 -0.04 1.22 1.10 2o7tA1 ASP 80 H -0.13 0.56 -0.11 -0.55 8.40 8.17 2o7tA1 ASP 80 HA -0.10 0.04 0.24 -0.75 4.63 4.06 2o7tA1 ASP 80 HB2 -0.06 0.24 0.12 -0.04 2.71 2.96 2o7tA1 ASP 80 HB3 -0.10 0.01 0.06 -0.04 2.70 2.63 2o7tA1 PRO 81 HA -1.03 0.09 0.30 -0.51 4.44 3.29 2o7tA1 PRO 81 HB2 -0.19 0.00 0.12 -0.04 2.28 2.17 2o7tA1 PRO 81 HB3 -0.35 0.07 0.07 -0.04 2.02 1.76 2o7tA1 PRO 81 HG2 -0.26 0.06 0.09 -0.04 2.03 1.87 2o7tA1 PRO 81 HG3 -0.81 0.14 0.07 -0.04 2.03 1.39 2o7tA1 PRO 81 HD2 -0.15 0.04 0.06 -0.04 3.68 3.59 2o7tA1 PRO 81 HD3 -0.19 0.19 -0.02 -0.04 3.65 3.59 2o7tA1 GLU 82 H -0.13 0.18 -0.02 -0.55 8.60 8.09 2o7tA1 GLU 82 HA 0.03 0.10 0.37 -0.75 4.29 4.04 2o7tA1 GLU 82 HB2 -0.02 0.09 0.09 -0.04 2.09 2.22 2o7tA1 GLU 82 HB3 -0.03 -0.02 0.04 -0.04 1.99 1.94 2o7tA1 GLU 82 HG2 0.03 -0.04 -0.16 -0.04 2.34 2.12 2o7tA1 GLU 82 HG3 0.07 0.02 0.06 -0.04 2.34 2.45 2o7tA1 GLY 83 H -0.09 0.11 -0.26 -0.55 8.43 7.65 2o7tA1 GLY 83 HA2 -0.03 0.02 0.42 -0.51 4.01 3.92 2o7tA1 GLY 83 HA3 -0.06 0.08 0.29 -0.51 4.01 3.81 2o7tA1 VAL 84 H -0.20 0.80 0.00 -0.55 8.24 8.29 2o7tA1 VAL 84 HA -0.04 -0.00 0.38 -0.75 4.13 3.71 2o7tA1 VAL 84 HB -0.56 0.11 0.02 -0.04 2.12 1.66 2o7tA1 VAL 84 HG13 -0.00 0.03 -0.11 -0.04 0.97 0.84 2o7tA1 VAL 84 HG23 -0.10 0.00 -0.20 -0.04 0.95 0.61 2o7tA1 TRP 85 H -0.16 0.71 -0.07 -0.55 7.97 7.91 2o7tA1 TRP 85 HA 0.08 0.01 0.39 -0.75 4.62 4.35 2o7tA1 TRP 85 HB2 -0.07 0.07 0.09 -0.04 3.23 3.28 2o7tA1 TRP 85 HB3 -0.09 0.04 0.14 -0.04 3.23 3.28 2o7tA1 TRP 85 HD1 -0.00 0.01 -0.08 -0.04 7.22 7.10 2o7tA1 TRP 85 HE1 -0.02 0.07 -0.05 -0.04 10.20 10.15 2o7tA1 TRP 85 HE3 0.28 0.01 -0.02 -0.04 7.59 7.81 2o7tA1 TRP 85 HZ2 -0.16 0.02 -0.07 -0.04 7.44 7.18 2o7tA1 TRP 85 HZ3 -0.12 -0.03 -0.13 -0.04 7.13 6.81 2o7tA1 TRP 85 HH2 -0.96 -0.02 -0.07 -0.04 7.19 6.10 2o7tA1 THR 86 H 0.07 0.59 -0.14 -0.55 8.28 8.24 2o7tA1 THR 86 HA -0.19 0.00 0.47 -0.75 4.39 3.92 2o7tA1 THR 86 HB -0.01 0.00 0.21 -0.04 4.32 4.47 2o7tA1 THR 86 HG23 -0.04 -0.03 -0.07 -0.04 1.22 1.03 2o7tA1 SER 87 H -0.02 0.67 -0.00 -0.55 8.46 8.56 2o7tA1 SER 87 HA -0.04 -0.01 0.43 -0.75 4.49 4.12 2o7tA1 SER 87 HB2 -0.00 -0.05 0.05 -0.04 3.95 3.91 2o7tA1 SER 87 HB3 -0.01 0.02 0.12 -0.04 3.93 4.02 2o7tA1 PHE 88 H 0.11 0.62 -0.23 -0.55 8.34 8.29 2o7tA1 PHE 88 HA -0.03 0.01 0.49 -0.75 4.62 4.34 2o7tA1 PHE 88 HB2 0.03 0.03 0.09 -0.04 3.15 3.25 2o7tA1 PHE 88 HB3 -0.09 0.13 0.14 -0.04 3.06 3.20 2o7tA1 PHE 88 HD2 -0.09 0.04 -0.11 -0.04 7.28 7.09 2o7tA1 PHE 88 HE2 0.11 -0.03 -0.16 -0.04 7.38 7.27 2o7tA1 PHE 88 HZ 0.11 -0.01 -0.06 -0.04 7.32 7.31 2o7tA1 ASN 89 H -0.19 0.46 -0.11 -0.55 8.53 8.14 2o7tA1 ASN 89 HA -0.32 0.02 0.53 -0.75 4.76 4.23 2o7tA1 ASN 89 HB2 -0.37 0.09 0.20 -0.04 2.88 2.76 2o7tA1 ASN 89 HB3 -0.19 -0.04 0.03 -0.04 2.79 2.55 2o7tA1 ASN 89 HD21 -2.60 -0.07 -0.01 -0.04 7.03 4.32 2o7tA1 ASN 89 HD22 -1.31 0.60 0.16 -0.04 7.74 7.15 2o7tA1 GLN 90 H -0.14 0.73 0.03 -0.55 8.47 8.54 2o7tA1 GLN 90 HA -0.08 -0.00 0.42 -0.75 4.36 3.95 2o7tA1 GLN 90 HB2 -0.07 0.10 0.14 -0.04 2.15 2.28 2o7tA1 GLN 90 HB3 -0.04 -0.00 -0.07 -0.04 2.02 1.88 2o7tA1 GLN 90 HG2 -0.11 -0.01 0.02 -0.04 2.40 2.26 2o7tA1 GLN 90 HG3 -0.06 -0.02 -0.02 -0.04 2.39 2.25 2o7tA1 LEU 91 H -0.12 0.50 -0.35 -0.55 8.37 7.86 2o7tA1 LEU 91 HA -0.05 0.01 0.38 -0.75 4.35 3.94 2o7tA1 LEU 91 HB2 -0.06 0.17 0.16 -0.04 1.64 1.87 2o7tA1 LEU 91 HB3 -0.16 0.08 0.12 -0.04 1.64 1.64 2o7tA1 LEU 91 HG -0.07 -0.02 -0.08 -0.04 1.64 1.43 2o7tA1 LEU 91 HD13 -0.02 -0.01 0.01 -0.04 0.93 0.86 2o7tA1 LEU 91 HD23 -0.01 -0.01 -0.02 -0.04 0.89 0.81 2o7tA1 LEU 92 H -0.28 0.45 -0.09 -0.55 8.37 7.91 2o7tA1 LEU 92 HA -0.15 0.04 0.45 -0.75 4.35 3.93 2o7tA1 LEU 92 HB2 -0.24 0.09 0.14 -0.04 1.64 1.59 2o7tA1 LEU 92 HB3 -0.16 -0.06 0.01 -0.04 1.64 1.38 2o7tA1 LEU 92 HG -0.65 0.13 0.08 -0.04 1.64 1.16 2o7tA1 LEU 92 HD13 -0.40 -0.02 -0.03 -0.04 0.93 0.45 2o7tA1 LEU 92 HD23 -0.17 -0.02 -0.00 -0.04 0.89 0.66 2o7tA1 PHE 93 H 0.03 0.61 -0.13 -0.55 8.34 8.29 2o7tA1 PHE 93 HA -0.10 -0.01 0.44 -0.75 4.62 4.20 2o7tA1 PHE 93 HB2 -0.12 0.01 0.11 -0.04 3.15 3.12 2o7tA1 PHE 93 HB3 -0.11 0.08 0.21 -0.04 3.06 3.20 2o7tA1 PHE 93 HD2 -0.12 0.01 -0.09 -0.04 7.28 7.04 2o7tA1 PHE 93 HE2 -0.26 0.07 -0.12 -0.04 7.38 7.04 2o7tA1 PHE 93 HZ -1.07 0.11 -0.20 -0.04 7.32 6.12 2o7tA1 ASP 94 H 0.09 0.72 -0.00 -0.55 8.40 8.66 2o7tA1 ASP 94 HA -0.03 0.04 0.36 -0.75 4.63 4.24 2o7tA1 ASP 94 HB2 0.01 0.04 0.07 -0.04 2.71 2.79 2o7tA1 ASP 94 HB3 0.02 -0.06 0.09 -0.04 2.70 2.71 2o7tA1 ARG 95 H -0.06 0.36 -0.44 -0.55 8.46 7.76 2o7tA1 ARG 95 HA -0.04 0.12 0.71 -0.75 4.34 4.37 2o7tA1 ARG 95 HB2 -0.07 0.01 0.08 -0.04 1.90 1.87 2o7tA1 ARG 95 HB3 -0.05 -0.08 0.16 -0.04 1.80 1.79 2o7tA1 ARG 95 HG2 -0.04 -0.00 0.00 -0.04 1.67 1.59 2o7tA1 ARG 95 HG3 -0.05 -0.09 -0.00 -0.04 1.67 1.49 2o7tA1 ARG 95 HD2 -0.02 -0.06 0.00 -0.04 3.22 3.10 2o7tA1 ARG 95 HD3 -0.02 0.05 -0.00 -0.04 3.22 3.21 2o7tA1 GLY 96 H -0.14 0.40 -0.41 -0.55 8.43 7.74 2o7tA1 GLY 96 HA2 -0.13 0.10 0.34 -0.51 4.01 3.81 2o7tA1 GLY 96 HA3 -0.08 0.09 0.23 -0.51 4.01 3.74 2o7tA1 LEU 97 H -0.12 0.60 0.02 -0.55 8.37 8.33 2o7tA1 LEU 97 HA -0.12 -0.01 0.46 -0.75 4.35 3.93 2o7tA1 LEU 97 HB2 -0.11 0.01 0.04 -0.04 1.64 1.54 2o7tA1 LEU 97 HB3 -0.10 0.03 -0.03 -0.04 1.64 1.49 2o7tA1 LEU 97 HG -0.09 0.01 -0.27 -0.04 1.64 1.25 2o7tA1 LEU 97 HD13 -0.10 -0.02 -0.01 -0.04 0.93 0.76 2o7tA1 LEU 97 HD23 -0.09 0.02 -0.25 -0.04 0.89 0.54 2o7tA1 GLY 98 H -0.13 0.16 -0.38 -0.55 8.43 7.53 2o7tA1 GLY 98 HA2 -0.07 0.08 0.26 -0.51 4.01 3.77 2o7tA1 GLY 98 HA3 -0.08 0.15 -0.38 -0.51 4.01 3.19 2o7tA1 SER 99 H -0.07 0.25 -0.16 -0.55 8.46 7.93 2o7tA1 SER 99 HA 0.04 0.14 0.90 -0.75 4.49 4.82 2o7tA1 SER 99 HB2 -0.01 0.01 0.11 -0.04 3.95 4.02 2o7tA1 SER 99 HB3 0.13 0.15 0.03 -0.04 3.93 4.20 2o7tA1 LEU 100 H -0.09 0.61 0.08 -0.55 8.37 8.42 2o7tA1 LEU 100 HA -0.25 0.05 0.39 -0.75 4.35 3.79 2o7tA1 LEU 100 HB2 -0.13 0.05 0.10 -0.04 1.64 1.62 2o7tA1 LEU 100 HB3 -0.16 -0.09 -0.00 -0.04 1.64 1.36 2o7tA1 LEU 100 HG -0.06 0.06 0.02 -0.04 1.64 1.63 2o7tA1 LEU 100 HD13 -0.05 -0.01 -0.04 -0.04 0.93 0.78 2o7tA1 LEU 100 HD23 -0.02 0.02 0.00 -0.04 0.89 0.85 2o7tA1 VAL 101 H -0.13 0.56 -0.02 -0.55 8.24 8.10 2o7tA1 VAL 101 HA -0.15 -0.02 0.42 -0.75 4.13 3.63 2o7tA1 VAL 101 HB -0.08 0.14 0.11 -0.04 2.12 2.25 2o7tA1 VAL 101 HG13 -0.06 -0.03 -0.13 -0.04 0.97 0.72 2o7tA1 VAL 101 HG23 -0.12 0.00 0.05 -0.04 0.95 0.83 2o7tA1 PRO 102 HA -0.05 0.05 0.52 -0.51 4.44 4.45 2o7tA1 PRO 102 HB2 0.05 0.03 -0.05 -0.04 2.28 2.27 2o7tA1 PRO 102 HB3 -0.00 -0.05 0.07 -0.04 2.02 2.00 2o7tA1 PRO 102 HG2 0.03 0.16 0.05 -0.04 2.03 2.23 2o7tA1 PRO 102 HG3 -0.02 0.02 0.05 -0.04 2.03 2.05 2o7tA1 PRO 102 HD2 -0.07 0.02 -0.51 -0.04 3.68 3.08 2o7tA1 PRO 102 HD3 -0.06 0.06 0.01 -0.04 3.65 3.62 2o7tA1 ALA 103 H -0.30 0.38 -0.38 -0.55 8.40 7.56 2o7tA1 ALA 103 HA -0.51 -0.04 0.49 -0.75 4.34 3.53 2o7tA1 ALA 103 HB3 -1.33 0.03 0.10 -0.04 1.41 0.17 2o7tA1 LEU 104 H -0.30 0.39 -0.24 -0.55 8.37 7.67 2o7tA1 LEU 104 HA -0.24 0.15 0.91 -0.75 4.35 4.42 2o7tA1 LEU 104 HB2 -0.21 0.06 0.06 -0.04 1.64 1.51 2o7tA1 LEU 104 HB3 -0.16 -0.11 0.09 -0.04 1.64 1.42 2o7tA1 LEU 104 HG -0.51 0.06 -0.07 -0.04 1.64 1.07 2o7tA1 LEU 104 HD13 -0.16 -0.04 -0.08 -0.04 0.93 0.61 2o7tA1 LEU 104 HD23 -0.22 0.03 -0.04 -0.04 0.89 0.62 2o7tA1 ALA 105 H -0.11 0.51 0.05 -0.55 8.40 8.31 2o7tA1 ALA 105 HA -0.01 0.01 0.49 -0.75 4.34 4.08 2o7tA1 ALA 105 HB3 -0.02 -0.02 0.03 -0.04 1.41 1.36 2o7tA1 PRO 106 HA 0.07 0.13 0.59 -0.51 4.44 4.72 2o7tA1 PRO 106 HB2 0.08 -0.13 0.05 -0.04 2.28 2.23 2o7tA1 PRO 106 HB3 0.18 0.04 0.08 -0.04 2.02 2.28 2o7tA1 PRO 106 HG2 0.10 0.07 -0.02 -0.04 2.03 2.13 2o7tA1 PRO 106 HG3 0.17 0.06 -0.07 -0.04 2.03 2.16 2o7tA1 PRO 106 HD2 0.06 -0.00 0.07 -0.04 3.68 3.76 2o7tA1 PRO 106 HD3 0.06 0.24 0.21 -0.04 3.65 4.12 2o7tA1 GLU 107 H 0.03 0.10 0.11 -0.55 8.60 8.29 2o7tA1 GLU 107 HA 0.02 0.13 0.34 -0.75 4.29 4.02 2o7tA1 SER 108 H 0.03 0.09 -0.20 -0.55 8.46 7.84 2o7tA1 SER 108 HA 0.02 0.26 0.89 -0.75 4.49 4.91 2o7tA1 SER 108 HB2 0.02 0.10 -0.07 -0.04 3.95 3.96 2o7tA1 SER 108 HB3 0.02 -0.03 0.02 -0.04 3.93 3.90 2o7tA1 LEU 109 H 0.03 0.22 0.10 -0.55 8.37 8.17 2o7tA1 LEU 109 HA 0.05 0.18 0.48 -0.75 4.35 4.30 2o7tA1 LEU 109 HB2 0.03 -0.02 0.07 -0.04 1.64 1.68 2o7tA1 LEU 109 HB3 0.04 0.02 0.08 -0.04 1.64 1.74 2o7tA1 LEU 109 HG 0.04 0.02 0.01 -0.04 1.64 1.67 2o7tA1 LEU 109 HD13 0.05 0.00 -0.01 -0.04 0.93 0.93 2o7tA1 LEU 109 HD23 0.07 0.03 -0.03 -0.04 0.89 0.91 2o7tA1 ASP 110 H 0.03 0.01 -0.39 -0.55 8.40 7.50 2o7tA1 ASP 110 HA 0.02 0.12 0.43 -0.75 4.63 4.45 2o7tA1 ASP 110 HB2 0.02 -0.01 -0.06 -0.04 2.71 2.61 2o7tA1 ASP 110 HB3 0.02 0.04 0.03 -0.04 2.70 2.75 2o7tA1 ASP 111 H 0.05 0.36 -0.42 -0.55 8.40 7.84 2o7tA1 ASP 111 HA 0.05 0.09 0.49 -0.75 4.63 4.50 2o7tA1 ASP 111 HB2 0.10 0.11 0.02 -0.04 2.71 2.89 2o7tA1 ASP 111 HB3 0.05 -0.02 0.10 -0.04 2.70 2.79 2o7tA1 LEU 112 H 0.08 0.25 -0.45 -0.55 8.37 7.70 2o7tA1 LEU 112 HA 0.12 0.10 0.52 -0.75 4.35 4.34 2o7tA1 LEU 112 HB2 0.04 0.04 0.05 -0.04 1.64 1.73 2o7tA1 LEU 112 HB3 0.04 -0.08 -0.02 -0.04 1.64 1.54 2o7tA1 LEU 112 HG 0.08 0.00 0.09 -0.04 1.64 1.77 2o7tA1 LEU 112 HD13 0.07 -0.02 -0.06 -0.04 0.93 0.89 2o7tA1 LEU 112 HD23 0.09 0.00 -0.01 -0.04 0.89 0.93 2o7tA1 PRO 113 HA 0.08 0.13 0.54 -0.51 4.44 4.68 2o7tA1 PRO 113 HB2 0.03 -0.18 0.03 -0.04 2.28 2.12 2o7tA1 PRO 113 HB3 0.08 0.06 0.15 -0.04 2.02 2.27 2o7tA1 PRO 113 HG2 -0.03 0.06 0.08 -0.04 2.03 2.10 2o7tA1 PRO 113 HG3 0.10 0.11 0.10 -0.04 2.03 2.29 2o7tA1 PRO 113 HD2 0.01 0.01 0.20 -0.04 3.68 3.86 2o7tA1 PRO 113 HD3 0.09 0.28 0.25 -0.04 3.65 4.23 2o7tA1 ASP 114 H 0.03 0.18 0.16 -0.55 8.40 8.22 2o7tA1 ASP 114 HA 0.00 0.12 0.31 -0.75 4.63 4.31 2o7tA1 ASP 114 HB2 0.02 -0.02 0.11 -0.04 2.71 2.77 2o7tA1 ASP 114 HB3 0.00 0.03 0.02 -0.04 2.70 2.71 2o7tA1 GLU 115 H 0.01 0.12 -0.16 -0.55 8.60 8.02 2o7tA1 GLU 115 HA -0.01 0.10 0.51 -0.75 4.29 4.14 2o7tA1 GLU 115 HB2 0.01 0.04 0.06 -0.04 2.09 2.16 2o7tA1 GLU 115 HB3 0.01 0.01 0.08 -0.04 1.99 2.06 2o7tA1 VAL 116 H -0.00 0.20 -0.26 -0.55 8.24 7.62 2o7tA1 VAL 116 HA -0.05 0.07 0.43 -0.75 4.13 3.83 2o7tA1 VAL 116 HB 0.01 0.13 0.06 -0.04 2.12 2.29 2o7tA1 VAL 116 HG13 0.13 0.01 -0.14 -0.04 0.97 0.93 2o7tA1 VAL 116 HG23 0.02 -0.01 -0.03 -0.04 0.95 0.90 2o7tA1 SER 117 H -0.04 0.56 -0.17 -0.55 8.46 8.27 2o7tA1 SER 117 HA -0.10 0.03 0.35 -0.75 4.49 4.02 2o7tA1 SER 117 HB2 -0.01 0.16 -0.09 -0.04 3.95 3.97 2o7tA1 SER 117 HB3 -0.02 0.03 0.02 -0.04 3.93 3.91 2o7tA1 ALA 118 H -0.07 0.46 -0.30 -0.55 8.40 7.95 2o7tA1 ALA 118 HA -0.06 0.01 0.47 -0.75 4.34 4.01 2o7tA1 ALA 118 HB3 -0.04 0.04 0.10 -0.04 1.41 1.47 2o7tA1 LEU 119 H -0.16 0.41 -0.22 -0.55 8.37 7.85 2o7tA1 LEU 119 HA -0.14 -0.02 0.39 -0.75 4.35 3.83 2o7tA1 LEU 119 HB2 -0.37 0.15 0.19 -0.04 1.64 1.56 2o7tA1 LEU 119 HB3 -0.20 -0.06 0.02 -0.04 1.64 1.36 2o7tA1 LEU 119 HG -0.06 0.13 0.11 -0.04 1.64 1.78 2o7tA1 LEU 119 HD13 0.04 -0.02 0.01 -0.04 0.93 0.93 2o7tA1 LEU 119 HD23 -0.01 -0.02 -0.04 -0.04 0.89 0.79 2o7tA1 ARG 120 H -0.53 0.54 -0.18 -0.55 8.46 7.74 2o7tA1 ARG 120 HA -0.61 0.01 0.39 -0.75 4.34 3.37 2o7tA1 ARG 120 HB2 -0.43 0.04 0.08 -0.04 1.90 1.55 2o7tA1 ARG 120 HB3 -0.19 0.15 0.12 -0.04 1.80 1.85 2o7tA1 ARG 120 HG2 -0.02 -0.07 -0.19 -0.04 1.67 1.36 2o7tA1 ARG 120 HG3 0.10 -0.01 0.02 -0.04 1.67 1.73 2o7tA1 ARG 120 HD2 0.06 -0.03 -0.03 -0.04 3.22 3.17 2o7tA1 ARG 120 HD3 0.03 0.03 -0.01 -0.04 3.22 3.24 2o7tA1 ARG 121 H -0.14 0.54 -0.17 -0.55 8.46 8.14 2o7tA1 ARG 121 HA -0.03 -0.01 0.49 -0.75 4.34 4.04 2o7tA1 ARG 121 HB2 -0.05 0.15 0.18 -0.04 1.90 2.14 2o7tA1 ARG 121 HB3 -0.02 -0.06 0.02 -0.04 1.80 1.69 2o7tA1 ARG 121 HG2 -0.02 -0.07 0.03 -0.04 1.67 1.57 2o7tA1 ARG 121 HG3 -0.05 0.26 0.08 -0.04 1.67 1.92 2o7tA1 ARG 121 HD2 -0.01 -0.04 -0.00 -0.04 3.22 3.13 2o7tA1 ARG 121 HD3 -0.02 -0.02 -0.03 -0.04 3.22 3.12 2o7tA1 THR 122 H -0.07 0.54 -0.09 -0.55 8.28 8.11 2o7tA1 THR 122 HA -0.01 0.00 0.46 -0.75 4.39 4.09 2o7tA1 THR 122 HB -0.03 0.15 0.14 -0.04 4.32 4.54 2o7tA1 THR 122 HG23 0.01 -0.02 -0.05 -0.04 1.22 1.12 2o7tA1 THR 123 H -0.03 0.52 -0.25 -0.55 8.28 7.97 2o7tA1 THR 123 HA 0.10 -0.00 0.39 -0.75 4.39 4.12 2o7tA1 THR 123 HB 0.13 0.15 0.17 -0.04 4.32 4.73 2o7tA1 THR 123 HG23 0.23 -0.02 -0.06 -0.04 1.22 1.32 2o7tA1 GLU 124 H 0.04 0.52 -0.11 -0.55 8.60 8.50 2o7tA1 GLU 124 HA 0.09 0.01 0.45 -0.75 4.29 4.09 2o7tA1 GLU 124 HB2 0.03 0.10 0.16 -0.04 2.09 2.34 2o7tA1 GLU 124 HB3 0.05 -0.08 0.03 -0.04 1.99 1.95 2o7tA1 GLU 124 HG2 0.08 -0.06 0.01 -0.04 2.34 2.33 2o7tA1 GLU 124 HG3 0.05 0.30 0.08 -0.04 2.34 2.73 2o7tA1 LYS 125 H 0.02 0.58 -0.12 -0.55 8.42 8.35 2o7tA1 LYS 125 HA 0.02 0.00 0.52 -0.75 4.32 4.11 2o7tA1 LYS 125 HB2 0.01 0.05 0.14 -0.04 1.87 2.02 2o7tA1 LYS 125 HB3 0.01 0.12 0.19 -0.04 1.79 2.06 2o7tA1 ASN 126 H 0.04 0.71 -0.05 -0.55 8.53 8.68 2o7tA1 ASN 126 HA 0.01 0.01 0.48 -0.75 4.76 4.50 2o7tA1 ASN 126 HB2 0.06 0.12 0.11 -0.04 2.88 3.13 2o7tA1 ASN 126 HB3 0.02 -0.06 -0.01 -0.04 2.79 2.70 2o7tA1 ASN 126 HD21 0.03 -0.04 -0.02 -0.04 7.03 6.96 2o7tA1 ASN 126 HD22 0.06 -0.02 -0.01 -0.04 7.74 7.73 2o7tA1 THR 127 H 0.08 0.49 -0.31 -0.55 8.28 7.99 2o7tA1 THR 127 HA 0.12 0.02 0.49 -0.75 4.39 4.26 2o7tA1 THR 127 HB 0.14 0.13 0.15 -0.04 4.32 4.70 2o7tA1 THR 127 HG23 0.33 -0.03 -0.08 -0.04 1.22 1.40 2o7tA1 THR 128 H 0.05 0.48 -0.12 -0.55 8.28 8.14 2o7tA1 THR 128 HA 0.01 -0.01 0.52 -0.75 4.39 4.16 2o7tA1 THR 128 HB 0.01 0.18 0.18 -0.04 4.32 4.65 2o7tA1 THR 128 HG23 -0.01 -0.01 -0.05 -0.04 1.22 1.10 2o7tA1 THR 129 H -0.02 0.43 -0.17 -0.55 8.28 7.97 2o7tA1 THR 129 HA -0.07 0.01 0.41 -0.75 4.39 3.99 2o7tA1 THR 129 HB -0.05 0.15 0.19 -0.04 4.32 4.57 2o7tA1 THR 129 HG23 -0.07 -0.02 -0.02 -0.04 1.22 1.08 2o7tA1 LEU 130 H -0.06 0.57 -0.12 -0.55 8.37 8.21 2o7tA1 LEU 130 HA -0.27 0.02 0.37 -0.75 4.35 3.72 2o7tA1 LEU 130 HB2 -0.03 0.08 0.20 -0.04 1.64 1.84 2o7tA1 LEU 130 HB3 0.05 -0.03 -0.07 -0.04 1.64 1.54 2o7tA1 LEU 130 HG -0.12 0.03 0.04 -0.04 1.64 1.55 2o7tA1 LEU 130 HD13 -0.53 -0.01 -0.02 -0.04 0.93 0.33 2o7tA1 LEU 130 HD23 -0.01 -0.02 -0.12 -0.04 0.89 0.69 2o7tA1 ILE 131 H -0.08 0.82 0.00 -0.55 8.25 8.43 2o7tA1 ILE 131 HA -0.39 -0.01 0.49 -0.75 4.18 3.52 2o7tA1 ILE 131 HB -0.07 0.06 0.19 -0.04 1.89 2.02 2o7tA1 ILE 131 HG12 -0.08 0.10 0.09 -0.04 1.49 1.56 2o7tA1 ILE 131 HG13 0.01 -0.11 0.02 -0.04 1.21 1.10 2o7tA1 ILE 131 HG23 -0.14 -0.01 -0.17 -0.04 0.93 0.57 2o7tA1 ILE 131 HD13 -0.55 -0.01 -0.03 -0.04 0.88 0.25 2o7tA1 ASN 132 H -0.15 0.67 -0.16 -0.55 8.53 8.34 2o7tA1 ASN 132 HA -0.15 0.01 0.46 -0.75 4.76 4.32 2o7tA1 ASN 132 HB2 -0.12 0.14 0.17 -0.04 2.88 3.04 2o7tA1 ASN 132 HB3 -0.10 -0.06 0.05 -0.04 2.79 2.63 2o7tA1 ASN 132 HD21 -0.04 -0.07 -0.01 -0.04 7.03 6.87 2o7tA1 ASN 132 HD22 -0.05 -0.02 -0.03 -0.04 7.74 7.59 2o7tA1 LEU 133 H -0.33 0.49 -0.20 -0.55 8.37 7.78 2o7tA1 LEU 133 HA -0.26 0.01 0.51 -0.75 4.35 3.85 2o7tA1 LEU 133 HB2 -0.94 0.16 0.20 -0.04 1.64 1.02 2o7tA1 LEU 133 HB3 -1.17 -0.07 0.01 -0.04 1.64 0.38 2o7tA1 LEU 133 HG -0.26 0.09 0.06 -0.04 1.64 1.49 2o7tA1 LEU 133 HD13 -0.26 -0.02 -0.00 -0.04 0.93 0.61 2o7tA1 LEU 133 HD23 -0.10 -0.02 0.02 -0.04 0.89 0.75 2o7tA1 ALA 134 H -0.57 0.53 -0.12 -0.55 8.40 7.69 2o7tA1 ALA 134 HA -0.27 -0.01 0.27 -0.75 4.34 3.58 2o7tA1 ALA 134 HB3 -1.10 0.03 0.03 -0.04 1.41 0.32 2o7tA1 LYS 135 H -0.37 0.68 -0.09 -0.55 8.42 8.09 2o7tA1 LYS 135 HA -0.47 0.16 0.52 -0.75 4.32 3.78 2o7tA1 LYS 135 HB2 -0.23 0.06 0.13 -0.04 1.87 1.79 2o7tA1 LYS 135 HB3 -0.58 -0.08 0.01 -0.04 1.79 1.09 2o7tA1 LYS 135 HG2 -0.35 0.18 -0.18 -0.04 1.46 1.07 2o7tA1 LYS 135 HG3 -0.29 0.14 -0.00 -0.04 1.46 1.26 2o7tA1 LYS 135 HD2 -0.09 -0.08 -0.08 -0.04 1.69 1.39 2o7tA1 LYS 135 HD3 -0.04 -0.07 0.00 -0.04 1.68 1.52 2o7tA1 LYS 135 HE2 -0.07 0.10 -0.06 -0.04 2.99 2.91 2o7tA1 LYS 135 HE3 -0.10 -0.10 -0.10 -0.04 2.99 2.65 2o7tA1 GLN 136 H -0.22 0.44 -0.27 -0.55 8.47 7.88 2o7tA1 GLN 136 HA -0.11 -0.01 0.45 -0.75 4.36 3.93 2o7tA1 GLN 136 HB2 -0.17 0.03 0.18 -0.04 2.15 2.15 2o7tA1 GLN 136 HB3 -0.24 0.20 0.24 -0.04 2.02 2.18 2o7tA1 GLN 136 HG2 -0.55 0.00 -0.16 -0.04 2.40 1.65 2o7tA1 GLN 136 HG3 -0.20 -0.06 0.08 -0.04 2.39 2.16 2o7tA1 GLN 136 HE21 -0.09 -0.03 0.01 -0.04 6.97 6.82 2o7tA1 GLN 136 HE22 -0.18 -0.02 0.01 -0.04 7.69 7.46 2o7tA1 HIS 137 H -0.08 0.39 -0.27 -0.55 8.41 7.91 2o7tA1 HIS 137 HA -0.04 0.12 0.63 -0.75 4.63 4.58 2o7tA1 HIS 137 HB2 0.04 0.06 0.08 -0.04 3.26 3.41 2o7tA1 HIS 137 HB3 0.01 -0.10 0.16 -0.04 3.20 3.22 2o7tA1 HIS 137 HD2 0.00 0.17 0.01 -0.04 6.97 7.10 2o7tA1 HIS 137 HE1 0.03 0.03 0.04 -0.04 7.75 7.80 2o7tA1 GLY 138 H -0.15 0.39 -0.50 -0.55 8.43 7.62 2o7tA1 GLY 138 HA2 -0.16 0.06 0.27 -0.51 4.01 3.66 2o7tA1 GLY 138 HA3 -0.08 -0.00 0.33 -0.51 4.01 3.75 2o7tA1 LEU 139 H -0.22 0.65 -0.08 -0.55 8.37 8.17 2o7tA1 LEU 139 HA -0.15 0.13 0.65 -0.75 4.35 4.22 2o7tA1 LEU 139 HB2 -0.56 -0.01 -0.01 -0.04 1.64 1.03 2o7tA1 LEU 139 HB3 -0.48 -0.07 -0.01 -0.04 1.64 1.04 2o7tA1 LEU 139 HG -0.06 0.18 -0.27 -0.04 1.64 1.44 2o7tA1 LEU 139 HD13 -0.01 -0.06 -0.20 -0.04 0.93 0.62 2o7tA1 LEU 139 HD23 0.00 -0.02 -0.06 -0.04 0.89 0.77 2o7tA1 VAL 140 H -0.34 0.24 -0.23 -0.55 8.24 7.35 2o7tA1 VAL 140 HA -0.15 0.18 0.48 -0.75 4.13 3.88 2o7tA1 VAL 140 HB -0.41 -0.06 -0.12 -0.04 2.12 1.48 2o7tA1 VAL 140 HG13 -0.12 0.04 -0.14 -0.04 0.97 0.72 2o7tA1 VAL 140 HG23 -0.54 -0.03 -0.27 -0.04 0.95 0.07 2o7tA1 HIS 141 H 0.01 0.87 0.29 -0.55 8.41 9.05 2o7tA1 HIS 141 HA -0.13 0.06 0.39 -0.75 4.63 4.19 2o7tA1 HIS 141 HB2 -0.04 0.26 -0.13 -0.04 3.26 3.31 2o7tA1 HIS 141 HB3 -0.03 -0.13 0.08 -0.04 3.20 3.08 2o7tA1 HIS 141 HD2 0.01 0.19 -0.08 -0.04 6.97 7.04 2o7tA1 HIS 141 HE1 0.03 0.00 0.00 -0.04 7.75 7.75 2o7tA1 HIS 142 H -0.50 0.14 0.19 -0.55 8.41 7.70 2o7tA1 HIS 142 HA -0.11 0.16 0.36 -0.75 4.63 4.28 2o7tA1 HIS 142 HB2 -0.25 -0.05 0.11 -0.04 3.26 3.03 2o7tA1 HIS 142 HB3 -0.11 -0.01 0.05 -0.04 3.20 3.09 2o7tA1 HIS 142 HD2 -0.23 -0.03 0.08 -0.04 6.97 6.75 2o7tA1 HIS 142 HE1 -0.13 -0.02 -0.13 -0.04 7.75 7.43 2o7tA1 ASP 143 H 0.53 0.04 -0.33 -0.55 8.40 8.09 2o7tA1 ASP 143 HA 0.11 0.13 0.54 -0.75 4.63 4.66 2o7tA1 ASP 143 HB2 0.22 -0.01 0.01 -0.04 2.71 2.89 2o7tA1 ASP 143 HB3 0.10 -0.02 0.04 -0.04 2.70 2.78 2o7tA1 ILE 144 H 0.13 0.37 -0.31 -0.55 8.25 7.89 2o7tA1 ILE 144 HA 0.08 -0.04 0.45 -0.75 4.18 3.92 2o7tA1 ILE 144 HB 0.04 0.19 0.07 -0.04 1.89 2.15 2o7tA1 ILE 144 HG12 0.06 -0.04 -0.02 -0.04 1.49 1.45 2o7tA1 ILE 144 HG13 0.08 -0.14 -0.05 -0.04 1.21 1.06 2o7tA1 ILE 144 HG23 0.11 -0.01 -0.18 -0.04 0.93 0.81 2o7tA1 ILE 144 HD13 0.04 -0.00 0.11 -0.04 0.88 0.99 2o7tA1 ALA 145 H 0.08 0.06 0.20 -0.55 8.40 8.19 2o7tA1 ALA 145 HA 0.05 0.27 0.52 -0.75 4.34 4.43 2o7tA1 ALA 145 HB3 0.06 -0.02 0.15 -0.04 1.41 1.56 2o7tA1 PRO 146 HA 0.18 0.14 0.52 -0.51 4.44 4.77 2o7tA1 PRO 146 HB2 0.09 -0.00 0.04 -0.04 2.28 2.37 2o7tA1 PRO 146 HB3 0.11 0.06 -0.02 -0.04 2.02 2.13 2o7tA1 PRO 146 HG2 0.04 0.04 0.11 -0.04 2.03 2.18 2o7tA1 PRO 146 HG3 0.02 0.12 0.10 -0.04 2.03 2.23 2o7tA1 PRO 146 HD2 0.05 0.05 0.23 -0.04 3.68 3.96 2o7tA1 PRO 146 HD3 0.03 0.29 0.21 -0.04 3.65 4.14 2o7tA1 GLY 147 H 0.10 0.15 -0.16 -0.55 8.43 7.97 2o7tA1 GLY 147 HA2 0.10 0.10 0.40 -0.51 4.01 4.10 2o7tA1 GLY 147 HA3 0.08 0.08 0.26 -0.51 4.01 3.92 2o7tA1 THR 148 H 0.12 0.11 -0.29 -0.55 8.28 7.67 2o7tA1 THR 148 HA 0.10 0.07 0.47 -0.75 4.39 4.27 2o7tA1 THR 148 HB 0.13 0.14 0.10 -0.04 4.32 4.65 2o7tA1 THR 148 HG23 0.12 0.01 -0.05 -0.04 1.22 1.26 2o7tA1 TYR 149 H 0.28 0.43 -0.23 -0.55 8.29 8.22 2o7tA1 TYR 149 HA 0.29 0.04 0.38 -0.75 4.56 4.51 2o7tA1 TYR 149 HB2 0.17 0.02 0.02 -0.04 3.06 3.23 2o7tA1 TYR 149 HB3 0.16 0.11 0.14 -0.04 2.98 3.35 2o7tA1 TYR 149 HD2 0.21 0.03 -0.03 -0.04 7.15 7.32 2o7tA1 TYR 149 HE2 0.21 -0.01 -0.06 -0.04 6.85 6.96 2o7tA1 ILE 150 H 0.15 0.44 -0.17 -0.55 8.25 8.12 2o7tA1 ILE 150 HA -0.30 0.04 0.37 -0.75 4.18 3.53 2o7tA1 ILE 150 HB 0.06 0.03 0.14 -0.04 1.89 2.08 2o7tA1 ILE 150 HG12 0.13 -0.01 -0.01 -0.04 1.49 1.56 2o7tA1 ILE 150 HG13 0.25 0.10 0.05 -0.04 1.21 1.57 2o7tA1 ILE 150 HG23 0.02 -0.00 -0.20 -0.04 0.93 0.71 2o7tA1 ILE 150 HD13 0.13 -0.03 -0.08 -0.04 0.88 0.86 2o7tA1 VAL 151 H 0.03 0.55 -0.08 -0.55 8.24 8.19 2o7tA1 VAL 151 HA -0.02 0.03 0.42 -0.75 4.13 3.80 2o7tA1 VAL 151 HB 0.04 0.09 0.16 -0.04 2.12 2.36 2o7tA1 VAL 151 HG13 0.00 -0.01 -0.07 -0.04 0.97 0.85 2o7tA1 VAL 151 HG23 0.03 0.00 0.05 -0.04 0.95 0.98 2o7tA1 GLY 152 H 0.04 0.53 -0.29 -0.55 8.43 8.16 2o7tA1 GLY 152 HA2 -0.13 0.00 0.38 -0.51 4.01 3.75 2o7tA1 GLY 152 HA3 -0.02 0.08 0.29 -0.51 4.01 3.85 2o7tA1 LEU 153 H -0.17 0.62 -0.08 -0.55 8.37 8.19 2o7tA1 LEU 153 HA -0.29 -0.01 0.41 -0.75 4.35 3.70 2o7tA1 LEU 153 HB2 -0.29 0.06 0.11 -0.04 1.64 1.48 2o7tA1 LEU 153 HB3 -0.25 0.08 0.11 -0.04 1.64 1.55 2o7tA1 LEU 153 HG -0.07 -0.01 -0.18 -0.04 1.64 1.33 2o7tA1 LEU 153 HD13 0.07 -0.01 0.02 -0.04 0.93 0.97 2o7tA1 LEU 153 HD23 -0.10 -0.01 -0.04 -0.04 0.89 0.69 2o7tA1 ILE 154 H -0.13 0.55 -0.21 -0.55 8.25 7.92 2o7tA1 ILE 154 HA -0.08 -0.01 0.34 -0.75 4.18 3.67 2o7tA1 ILE 154 HB -0.06 0.07 0.13 -0.04 1.89 1.99 2o7tA1 ILE 154 HG12 -0.07 -0.02 -0.05 -0.04 1.49 1.31 2o7tA1 ILE 154 HG13 -0.08 0.02 -0.01 -0.04 1.21 1.11 2o7tA1 ILE 154 HG23 -0.05 -0.00 -0.12 -0.04 0.93 0.71 2o7tA1 ILE 154 HD13 -0.03 -0.03 -0.10 -0.04 0.88 0.68 2o7tA1 THR 155 H -0.11 0.49 -0.21 -0.55 8.28 7.89 2o7tA1 THR 155 HA -0.05 0.03 0.37 -0.75 4.39 4.00 2o7tA1 THR 155 HB -0.11 0.05 0.21 -0.04 4.32 4.44 2o7tA1 THR 155 HG23 -0.04 -0.03 -0.09 -0.04 1.22 1.02 2o7tA1 ILE 156 H -0.21 0.68 0.05 -0.55 8.25 8.22 2o7tA1 ILE 156 HA -0.00 0.04 0.39 -0.75 4.18 3.86 2o7tA1 ILE 156 HB -0.01 -0.08 0.00 -0.04 1.89 1.76 2o7tA1 ILE 156 HG12 -0.65 0.04 -0.01 -0.04 1.49 0.83 2o7tA1 ILE 156 HG13 -0.08 0.18 -0.02 -0.04 1.21 1.25 2o7tA1 ILE 156 HG23 -0.24 -0.00 0.03 -0.04 0.93 0.67 2o7tA1 ILE 156 HD13 -0.02 -0.03 -0.12 -0.04 0.88 0.67 2o7tA1 SER 157 H -0.01 0.32 -0.57 -0.55 8.46 7.65 2o7tA1 SER 157 HA -0.06 0.04 0.50 -0.75 4.49 4.22 2o7tA1 SER 157 HB2 -0.07 0.11 -0.01 -0.04 3.95 3.94 2o7tA1 SER 157 HB3 -0.21 -0.21 0.12 -0.04 3.93 3.59 2o7tA1 ARG 158 H 0.01 0.34 -0.32 -0.55 8.46 7.93 2o7tA1 ARG 158 HA -0.06 0.10 0.43 -0.75 4.34 4.06 2o7tA1 ARG 158 HB2 -0.03 0.02 0.21 -0.04 1.90 2.06 2o7tA1 ARG 158 HB3 -0.03 -0.04 0.15 -0.04 1.80 1.84 2o7tA1 ARG 158 HG2 -0.05 0.09 -0.08 -0.04 1.67 1.59 2o7tA1 ARG 158 HG3 -0.03 0.21 0.14 -0.04 1.67 1.96 2o7tA1 ARG 158 HD2 -0.02 -0.03 0.05 -0.04 3.22 3.18 2o7tA1 ARG 158 HD3 -0.03 -0.09 0.01 -0.04 3.22 3.07 2o7tA1 PRO 159 HA -0.71 0.05 0.37 -0.51 4.44 3.63 2o7tA1 PRO 159 HB2 -0.19 0.06 -0.00 -0.04 2.28 2.10 2o7tA1 PRO 159 HB3 -0.25 -0.02 0.12 -0.04 2.02 1.83 2o7tA1 PRO 159 HG2 -0.10 -0.02 0.03 -0.04 2.03 1.90 2o7tA1 PRO 159 HG3 -0.09 0.05 0.08 -0.04 2.03 2.02 2o7tA1 PRO 159 HD2 -0.07 0.13 0.05 -0.04 3.68 3.75 2o7tA1 PRO 159 HD3 -0.10 0.15 0.13 -0.04 3.65 3.80 2o7tA1 PRO 160 HA -0.09 0.08 0.44 -0.51 4.44 4.36 2o7tA1 PRO 160 HB2 -0.07 0.07 -0.23 -0.04 2.28 2.01 2o7tA1 PRO 160 HB3 -0.06 -0.03 0.04 -0.04 2.02 1.94 2o7tA1 PRO 160 HG2 -0.11 -0.05 -0.02 -0.04 2.03 1.82 2o7tA1 PRO 160 HG3 -0.12 0.01 0.04 -0.04 2.03 1.93 2o7tA1 PRO 160 HD2 -0.30 0.06 0.16 -0.04 3.68 3.56 2o7tA1 PRO 160 HD3 -0.79 0.16 0.19 -0.04 3.65 3.17 2o7tA1 ILE 161 H -0.05 0.06 0.11 -0.55 8.25 7.83 2o7tA1 ILE 161 HA -0.04 0.16 0.48 -0.75 4.18 4.02 2o7tA1 ILE 161 HB -0.02 -0.08 0.10 -0.04 1.89 1.85 2o7tA1 ILE 161 HG12 -0.03 0.04 0.07 -0.04 1.49 1.54 2o7tA1 ILE 161 HG13 -0.02 -0.19 -0.17 -0.04 1.21 0.78 2o7tA1 ILE 161 HG23 -0.03 0.04 0.06 -0.04 0.93 0.96 2o7tA1 ILE 161 HD13 -0.02 0.02 -0.00 -0.04 0.88 0.84 2o7tA1 THR 162 H -0.02 0.14 0.15 -0.55 8.28 8.00 2o7tA1 THR 162 HA -0.03 0.15 0.29 -0.75 4.39 4.04 2o7tA1 THR 162 HB -0.00 -0.10 0.14 -0.04 4.32 4.32 2o7tA1 THR 162 HG23 -0.01 0.02 -0.06 -0.04 1.22 1.13 2o7tA1 ALA 163 H -0.01 0.04 -0.14 -0.55 8.40 7.74 2o7tA1 ALA 163 HA -0.01 0.06 0.30 -0.75 4.34 3.93 2o7tA1 ALA 163 HB3 -0.01 -0.00 0.03 -0.04 1.41 1.38 2o7tA1 LEU 164 H -0.02 0.38 -0.50 -0.55 8.37 7.68 2o7tA1 LEU 164 HA -0.01 0.14 0.81 -0.75 4.35 4.54 2o7tA1 LEU 164 HB2 -0.03 0.05 -0.02 -0.04 1.64 1.61 2o7tA1 LEU 164 HB3 -0.01 -0.05 0.11 -0.04 1.64 1.65 2o7tA1 LEU 164 HG -0.02 -0.10 -0.13 -0.04 1.64 1.35 2o7tA1 LEU 164 HD13 -0.01 -0.01 -0.01 -0.04 0.93 0.86 2o7tA1 LEU 164 HD23 -0.01 0.03 -0.13 -0.04 0.89 0.74 2o7tA1 ALA 165 H -0.03 0.60 -0.08 -0.55 8.40 8.34 2o7tA1 ALA 165 HA -0.04 -0.02 0.61 -0.75 4.34 4.14 2o7tA1 ALA 165 HB3 -0.05 0.05 0.03 -0.04 1.41 1.40 2o7tA1 THR 166 H -0.00 0.11 0.23 -0.55 8.28 8.06 2o7tA1 THR 166 HA -0.00 0.28 0.93 -0.75 4.39 4.84 2o7tA1 THR 166 HB 0.01 -0.08 0.15 -0.04 4.32 4.36 2o7tA1 THR 166 HG23 0.01 0.07 -0.08 -0.04 1.22 1.18 2o7tA1 ILE 167 H -0.00 0.16 0.15 -0.55 8.25 8.01 2o7tA1 ILE 167 HA -0.01 0.17 0.41 -0.75 4.18 4.00 2o7tA1 ILE 167 HB 0.00 -0.09 0.15 -0.04 1.89 1.90 2o7tA1 ILE 167 HG23 -0.00 0.02 -0.09 -0.04 0.93 0.82 2o7tA1 SER 168 H 0.01 -0.00 -0.04 -0.55 8.46 7.88 2o7tA1 SER 168 HA 0.01 0.20 0.53 -0.75 4.49 4.49 2o7tA1 SER 168 HB2 0.02 0.07 0.06 -0.04 3.95 4.05 2o7tA1 SER 168 HB3 0.01 0.05 0.11 -0.04 3.93 4.06 2o7tA1 GLU 169 H 0.03 -0.02 -0.28 -0.55 8.60 7.78 2o7tA1 GLU 169 HA 0.06 -0.03 0.33 -0.75 4.29 3.91 2o7tA1 GLU 169 HB2 0.07 0.34 0.17 -0.04 2.09 2.63 2o7tA1 GLU 169 HB3 0.16 -0.07 0.23 -0.04 1.99 2.27 2o7tA1 ASN 170 H 0.04 -0.00 -0.27 -0.55 8.53 7.76 2o7tA1 ASN 170 HA 0.04 0.14 0.30 -0.75 4.76 4.49 2o7tA1 ASN 170 HB2 0.02 -0.07 0.08 -0.04 2.88 2.87 2o7tA1 ASN 170 HB3 0.02 0.06 -0.05 -0.04 2.79 2.78 2o7tA1 ASN 170 HD21 0.01 0.06 0.00 -0.04 7.03 7.06 2o7tA1 ASN 170 HD22 0.01 -0.02 0.01 -0.04 7.74 7.71 2o7tA1 SER 171 H 0.05 0.05 -0.09 -0.55 8.46 7.92 2o7tA1 SER 171 HA 0.04 0.07 0.43 -0.75 4.49 4.27 2o7tA1 SER 171 HB2 0.05 -0.02 0.09 -0.04 3.95 4.04 2o7tA1 SER 171 HB3 0.05 0.09 0.01 -0.04 3.93 4.04 2o7tA1 HIS 172 H 0.17 0.01 -0.28 -0.55 8.41 7.76 2o7tA1 HIS 172 HA 0.08 0.08 0.39 -0.75 4.63 4.43 2o7tA1 HIS 172 HB2 0.04 -0.05 0.12 -0.04 3.26 3.33 2o7tA1 HIS 172 HB3 0.07 0.11 0.18 -0.04 3.20 3.51 2o7tA1 HIS 172 HD2 -0.05 -0.02 -0.02 -0.04 6.97 6.85 2o7tA1 HIS 172 HE1 -0.02 0.23 -0.23 -0.04 7.75 7.69 2o7tA1 LYS 173 H 0.12 0.71 0.07 -0.55 8.42 8.76 2o7tA1 LYS 173 HA 0.02 0.08 0.42 -0.75 4.32 4.08 2o7tA1 ALA 174 H -0.00 0.63 -0.17 -0.55 8.40 8.31 2o7tA1 ALA 174 HA -0.06 -0.01 0.48 -0.75 4.34 4.00 2o7tA1 ALA 174 HB3 -0.00 0.04 0.12 -0.04 1.41 1.52 2o7tA1 LEU 175 H -0.05 0.47 -0.42 -0.55 8.37 7.83 2o7tA1 LEU 175 HA -0.01 0.00 0.30 -0.75 4.35 3.89 2o7tA1 LEU 175 HB2 -0.00 0.00 0.14 -0.04 1.64 1.74 2o7tA1 LEU 175 HB3 0.03 0.00 0.08 -0.04 1.64 1.71 2o7tA1 LEU 175 HG 0.08 0.22 0.22 -0.04 1.64 2.13 2o7tA1 LEU 175 HD13 0.20 0.01 0.03 -0.04 0.93 1.13 2o7tA1 LEU 175 HD23 0.04 -0.07 -0.01 -0.04 0.89 0.81 2o7tA1 LEU 176 H -0.43 0.41 -0.29 -0.55 8.37 7.51 2o7tA1 LEU 176 HA -0.22 0.07 0.49 -0.75 4.35 3.94 2o7tA1 LEU 176 HB2 -1.67 0.08 0.08 -0.04 1.64 0.08 2o7tA1 LEU 176 HB3 -0.68 0.12 0.13 -0.04 1.64 1.17 2o7tA1 LEU 176 HG -0.25 -0.05 -0.26 -0.04 1.64 1.04 2o7tA1 LEU 176 HD13 -0.15 -0.01 -0.03 -0.04 0.93 0.69 2o7tA1 LEU 176 HD23 -0.37 -0.00 -0.10 -0.04 0.89 0.37 2o7tA1 GLY 177 H -0.17 0.30 -0.07 -0.55 8.43 7.94 2o7tA1 GLY 177 HA2 -0.05 0.02 0.44 -0.51 4.01 3.90 2o7tA1 GLY 177 HA3 -0.05 0.07 0.34 -0.51 4.01 3.85 2o7tA1 LEU 178 H -0.01 0.44 -0.18 -0.55 8.37 8.06 2o7tA1 LEU 178 HA 0.04 0.02 0.42 -0.75 4.35 4.08 2o7tA1 LEU 178 HB2 0.04 0.09 0.07 -0.04 1.64 1.80 2o7tA1 LEU 178 HB3 0.05 -0.03 -0.00 -0.04 1.64 1.63 2o7tA1 LEU 178 HG 0.01 0.13 0.02 -0.04 1.64 1.76 2o7tA1 LEU 178 HD13 0.02 -0.02 -0.07 -0.04 0.93 0.82 2o7tA1 LEU 178 HD23 0.02 -0.01 -0.02 -0.04 0.89 0.83 2o7tA1 TYR 179 H 0.13 0.53 -0.15 -0.55 8.29 8.25 2o7tA1 TYR 179 HA 0.05 0.00 0.54 -0.75 4.56 4.40 2o7tA1 TYR 179 HB2 0.01 0.07 0.14 -0.04 3.06 3.23 2o7tA1 TYR 179 HB3 -0.02 0.09 0.19 -0.04 2.98 3.20 2o7tA1 TYR 179 HD2 0.04 0.01 -0.01 -0.04 7.15 7.15 2o7tA1 TYR 179 HE2 0.05 -0.00 -0.04 -0.04 6.85 6.81 2o7tA1 LEU 180 H 0.06 0.57 -0.06 -0.55 8.37 8.40 2o7tA1 LEU 180 HA 0.02 0.02 0.39 -0.75 4.35 4.02 2o7tA1 LEU 180 HB2 0.04 0.08 0.15 -0.04 1.64 1.86 2o7tA1 LEU 180 HB3 0.15 -0.01 0.05 -0.04 1.64 1.80 2o7tA1 LEU 180 HG -0.01 0.22 0.08 -0.04 1.64 1.89 2o7tA1 LEU 180 HD13 -0.15 -0.03 -0.01 -0.04 0.93 0.69 2o7tA1 LEU 180 HD23 -0.05 -0.02 -0.04 -0.04 0.89 0.73 2o7tA1 SER 181 H 0.06 0.41 -0.22 -0.55 8.46 8.17 2o7tA1 SER 181 HA 0.11 0.04 0.45 -0.75 4.49 4.33 2o7tA1 SER 181 HB2 0.09 0.02 0.12 -0.04 3.95 4.14 2o7tA1 SER 181 HB3 0.09 0.11 0.17 -0.04 3.93 4.25 2o7tA1 GLY 182 H 0.07 0.52 -0.14 -0.55 8.43 8.33 2o7tA1 GLY 182 HA2 0.09 0.04 0.43 -0.51 4.01 4.06 2o7tA1 GLY 182 HA3 0.07 0.04 0.31 -0.51 4.01 3.92 2o7tA1 LEU 183 H -0.08 0.70 -0.04 -0.55 8.37 8.40 2o7tA1 LEU 183 HA -0.02 -0.07 0.46 -0.75 4.35 3.97 2o7tA1 LEU 183 HB2 0.01 0.19 0.18 -0.04 1.64 1.97 2o7tA1 LEU 183 HB3 0.01 -0.08 0.03 -0.04 1.64 1.57 2o7tA1 LEU 183 HG -0.63 0.18 0.04 -0.04 1.64 1.19 2o7tA1 LEU 183 HD13 0.04 -0.02 -0.05 -0.04 0.93 0.85 2o7tA1 LEU 183 HD23 -0.01 -0.03 -0.01 -0.04 0.89 0.79 2o7tA1 LYS 184 H -0.01 0.43 -0.29 -0.55 8.42 7.99 2o7tA1 LYS 184 HA -0.11 -0.04 0.16 -0.75 4.32 3.58 2o7tA1 LYS 184 HB2 -0.09 0.15 0.17 -0.04 1.87 2.06 2o7tA1 LYS 184 HB3 -0.22 0.04 0.22 -0.04 1.79 1.79 2o7tA1 LYS 184 HG2 -0.57 -0.06 -0.27 -0.04 1.46 0.52 2o7tA1 LYS 184 HG3 -0.21 0.16 0.01 -0.04 1.46 1.38 2o7tA1 LYS 184 HD2 -0.10 -0.03 0.04 -0.04 1.69 1.56 2o7tA1 LYS 184 HD3 -0.25 -0.06 0.02 -0.04 1.68 1.35 2o7tA1 LYS 184 HE2 -0.21 -0.06 -0.02 -0.04 2.99 2.66 2o7tA1 LYS 184 HE3 -0.13 0.16 0.03 -0.04 2.99 3.01 2o7tA1 HIS 185 H 0.02 0.55 0.03 -0.55 8.41 8.46 2o7tA1 HIS 185 HA 0.06 0.05 0.51 -0.75 4.63 4.49 2o7tA1 HIS 185 HB2 0.01 0.09 0.10 -0.04 3.26 3.43 2o7tA1 HIS 185 HB3 0.01 -0.08 0.11 -0.04 3.20 3.20 2o7tA1 HIS 185 HD2 0.03 -0.03 0.00 -0.04 6.97 6.93 2o7tA1 HIS 185 HE1 0.02 -0.06 0.02 -0.04 7.75 7.68 2o7tA1 GLY 186 H 0.04 0.37 -0.46 -0.55 8.43 7.84 2o7tA1 GLY 186 HA2 -0.09 0.01 0.15 -0.51 4.01 3.57 2o7tA1 GLY 186 HA3 -0.38 0.05 0.36 -0.51 4.01 3.54