============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TRP 4 1.040 25.824 14.173 5.351 -99.200 -91.000 TRP6 4 1.020 25.451 15.402 3.364 -99.200 -91.000 HIS 8 0.900 25.630 28.865 15.006 -99.200 -91.000 TRP 13 1.040 27.374 39.352 19.934 -99.200 -91.000 TRP6 13 1.020 28.370 38.347 21.830 -99.200 -91.000 TRP 22 1.040 30.956 26.996 25.638 -99.200 -91.000 TRP6 22 1.020 31.548 25.793 27.583 -99.200 -91.000 PHE 48 1.000 23.638 11.758 17.631 -99.200 -91.000 PHE 64 1.000 17.742 16.579 10.083 -99.200 -91.000 TYR 69 0.840 25.153 13.294 22.871 -99.200 -91.000 HIS 76 0.900 33.989 29.359 28.331 -99.200 -91.000 PHE 77 1.000 35.631 32.130 20.794 -99.200 -91.000 TRP 85 1.040 39.103 39.043 13.626 -99.200 -91.000 TRP6 85 1.020 40.009 36.975 14.328 -99.200 -91.000 TYR 92 0.840 44.268 36.320 23.634 -99.200 -91.000 PHE 99 1.000 40.967 25.618 14.760 -99.200 -91.000 PHE 102 1.000 41.616 31.189 21.664 -99.200 -91.000 HIS 103 0.900 47.144 27.474 25.565 -99.200 -91.000 PHE 113 1.000 36.455 23.645 19.500 -99.200 -91.000 PHE 118 1.000 39.592 16.686 16.235 -99.200 -91.000 PHE 120 1.000 29.206 14.073 19.731 -99.200 -91.000 PHE 131 1.000 20.994 20.158 12.213 -99.200 -91.000 HIS 133 0.900 27.802 26.243 18.211 -99.200 -91.000 TRP 160 1.040 36.311 11.763 12.423 -99.200 -91.000 TRP6 160 1.020 37.649 13.722 12.120 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2p75A1 MET 1 HA 0.06 -0.13 0.19 -0.75 4.52 3.88 2p75A1 MET 1 HB2 0.08 0.03 -0.01 -0.04 2.15 2.21 2p75A1 MET 1 HB3 0.17 -0.03 0.01 -0.04 2.03 2.14 2p75A1 MET 1 HG2 0.07 0.09 -0.26 -0.04 2.63 2.49 2p75A1 MET 1 HG3 0.09 0.03 -0.47 -0.04 2.56 2.17 2p75A1 MET 1 HE3 0.03 0.10 -0.23 -0.04 2.10 1.97 2p75A1 GLU 2 H 0.08 0.06 0.10 -0.55 8.60 8.29 2p75A1 GLU 2 HA 0.04 0.27 0.70 -0.75 4.29 4.54 2p75A1 GLU 2 HB2 0.09 -0.02 0.13 -0.04 2.09 2.25 2p75A1 GLU 2 HB3 0.15 -0.05 0.19 -0.04 1.99 2.24 2p75A1 GLU 2 HG2 0.24 -0.00 -0.25 -0.04 2.34 2.29 2p75A1 GLU 2 HG3 0.01 0.00 -0.04 -0.04 2.34 2.28 2p75A1 LEU 3 H -0.01 0.60 0.52 -0.55 8.37 8.94 2p75A1 LEU 3 HA 0.17 0.20 1.09 -0.75 4.35 5.05 2p75A1 LEU 3 HB2 0.01 -0.08 0.13 -0.04 1.64 1.66 2p75A1 LEU 3 HB3 0.02 -0.03 -0.02 -0.04 1.64 1.57 2p75A1 LEU 3 HG 0.10 0.16 -0.37 -0.04 1.64 1.49 2p75A1 LEU 3 HD13 -0.11 -0.01 -0.06 -0.04 0.93 0.71 2p75A1 LEU 3 HD23 0.07 0.01 -0.04 -0.04 0.89 0.89 2p75A1 TRP 4 H 0.32 0.71 0.43 -0.55 7.97 8.88 2p75A1 TRP 4 HA -0.05 0.22 1.18 -0.75 4.62 5.22 2p75A1 TRP 4 HB2 -0.11 -0.02 0.25 -0.04 3.23 3.31 2p75A1 TRP 4 HB3 -0.11 0.00 0.00 -0.04 3.23 3.08 2p75A1 TRP 4 HD1 -0.00 0.05 -0.21 -0.04 7.22 7.02 2p75A1 TRP 4 HE1 0.01 -0.01 -0.12 -0.04 10.20 10.05 2p75A1 TRP 4 HE3 -0.04 -0.01 -0.15 -0.04 7.59 7.35 2p75A1 TRP 4 HZ2 0.01 -0.01 -0.06 -0.04 7.44 7.34 2p75A1 TRP 4 HZ3 0.00 0.01 -0.12 -0.04 7.13 6.97 2p75A1 TRP 4 HH2 0.01 0.01 -0.06 -0.04 7.19 7.11 2p75A1 LEU 5 H -0.04 0.78 0.41 -0.55 8.37 8.99 2p75A1 LEU 5 HA -0.07 0.23 1.12 -0.75 4.35 4.88 2p75A1 LEU 5 HB2 -0.06 0.00 0.14 -0.04 1.64 1.68 2p75A1 LEU 5 HB3 -0.05 -0.06 -0.04 -0.04 1.64 1.45 2p75A1 LEU 5 HG -0.05 0.04 -0.20 -0.04 1.64 1.39 2p75A1 LEU 5 HD13 -0.09 0.01 -0.15 -0.04 0.93 0.67 2p75A1 LEU 5 HD23 -0.10 -0.01 -0.12 -0.04 0.89 0.62 2p75A1 VAL 6 H -0.19 0.78 0.39 -0.55 8.24 8.67 2p75A1 VAL 6 HA -0.06 0.28 1.05 -0.75 4.13 4.65 2p75A1 VAL 6 HB -0.46 -0.11 0.09 -0.04 2.12 1.59 2p75A1 VAL 6 HG13 0.09 0.02 -0.34 -0.04 0.97 0.70 2p75A1 VAL 6 HG23 -0.40 0.01 -0.23 -0.04 0.95 0.29 2p75A1 ARG 7 H -0.03 0.76 0.26 -0.55 8.46 8.90 2p75A1 ARG 7 HA -0.11 -0.02 0.52 -0.75 4.34 3.98 2p75A1 ARG 7 HB2 -0.06 -0.01 -0.05 -0.04 1.90 1.74 2p75A1 ARG 7 HB3 -0.06 0.10 0.15 -0.04 1.80 1.96 2p75A1 ARG 7 HG2 -0.24 0.15 -0.10 -0.04 1.67 1.43 2p75A1 ARG 7 HG3 -0.21 -0.27 0.01 -0.04 1.67 1.16 2p75A1 ARG 7 HD2 -0.06 0.01 -0.02 -0.04 3.22 3.12 2p75A1 ARG 7 HD3 -0.06 0.15 -0.44 -0.04 3.22 2.83 2p75A1 HIS 8 H -0.22 0.36 0.30 -0.55 8.41 8.30 2p75A1 HIS 8 HA 0.05 0.07 0.38 -0.75 4.63 4.39 2p75A1 HIS 8 HB2 -0.02 0.10 0.01 -0.04 3.26 3.32 2p75A1 HIS 8 HB3 -0.10 0.05 0.12 -0.04 3.20 3.22 2p75A1 HIS 8 HD2 -0.78 0.08 -0.01 -0.04 6.97 6.21 2p75A1 HIS 8 HE1 0.11 -0.09 -0.01 -0.04 7.75 7.71 2p75A1 GLY 9 H 0.15 0.13 0.19 -0.55 8.43 8.36 2p75A1 GLY 9 HA2 0.09 0.09 0.38 -0.51 4.01 4.06 2p75A1 GLY 9 HA3 0.09 0.15 0.42 -0.51 4.01 4.16 2p75A1 GLU 10 H 0.08 0.12 0.15 -0.55 8.60 8.40 2p75A1 GLU 10 HA 0.14 0.14 0.49 -0.75 4.29 4.31 2p75A1 GLU 10 HB2 0.07 0.04 0.11 -0.04 2.09 2.27 2p75A1 GLU 10 HB3 0.06 0.12 0.13 -0.04 1.99 2.25 2p75A1 GLU 10 HG2 0.05 0.12 -0.04 -0.04 2.34 2.42 2p75A1 GLU 10 HG3 0.05 -0.24 -0.01 -0.04 2.34 2.10 2p75A1 THR 11 H 0.12 0.15 0.25 -0.55 8.28 8.25 2p75A1 THR 11 HA 0.02 0.21 0.85 -0.75 4.39 4.72 2p75A1 THR 11 HB -0.06 0.07 0.12 -0.04 4.32 4.41 2p75A1 THR 11 HG23 -0.01 0.05 -0.22 -0.04 1.22 1.00 2p75A1 LEU 12 H 0.00 0.30 0.14 -0.55 8.37 8.27 2p75A1 LEU 12 HA 0.09 0.08 0.44 -0.75 4.35 4.21 2p75A1 LEU 12 HB2 0.05 0.02 0.13 -0.04 1.64 1.79 2p75A1 LEU 12 HB3 0.16 0.07 0.03 -0.04 1.64 1.85 2p75A1 LEU 12 HG 0.02 -0.01 0.07 -0.04 1.64 1.68 2p75A1 LEU 12 HD13 0.03 0.03 0.02 -0.04 0.93 0.97 2p75A1 LEU 12 HD23 0.05 0.00 0.04 -0.04 0.89 0.94 2p75A1 TRP 13 H 0.22 0.12 -0.17 -0.55 7.97 7.59 2p75A1 TRP 13 HA 0.03 0.10 0.36 -0.75 4.62 4.36 2p75A1 TRP 13 HB2 0.05 -0.03 -0.00 -0.04 3.23 3.20 2p75A1 TRP 13 HB3 0.04 0.19 -0.01 -0.04 3.23 3.41 2p75A1 TRP 13 HD1 0.02 -0.07 -0.20 -0.04 7.22 6.93 2p75A1 TRP 13 HE1 0.02 0.05 -0.05 -0.04 10.20 10.18 2p75A1 TRP 13 HE3 0.05 -0.01 -0.24 -0.04 7.59 7.35 2p75A1 TRP 13 HZ2 0.02 0.04 -0.04 -0.04 7.44 7.43 2p75A1 TRP 13 HZ3 0.06 -0.12 0.07 -0.04 7.13 7.10 2p75A1 TRP 13 HH2 0.04 0.04 -0.10 -0.04 7.19 7.12 2p75A1 ASN 14 H 0.19 0.33 -0.56 -0.55 8.53 7.94 2p75A1 ASN 14 HA 0.11 0.14 0.56 -0.75 4.76 4.81 2p75A1 ASN 14 HB2 0.13 -0.12 0.16 -0.04 2.88 3.01 2p75A1 ASN 14 HB3 0.09 0.10 0.21 -0.04 2.79 3.16 2p75A1 ASN 14 HD21 0.03 0.06 -0.03 -0.04 7.03 7.05 2p75A1 ASN 14 HD22 0.05 -0.05 -0.03 -0.04 7.74 7.67 2p75A1 ARG 15 H 0.10 0.19 0.06 -0.55 8.46 8.25 2p75A1 ARG 15 HA 0.04 0.12 0.48 -0.75 4.34 4.23 2p75A1 ARG 15 HB2 0.04 0.03 0.09 -0.04 1.90 2.02 2p75A1 ARG 15 HB3 0.05 -0.06 0.13 -0.04 1.80 1.88 2p75A1 ARG 15 HG2 0.09 0.18 0.26 -0.04 1.67 2.16 2p75A1 ARG 15 HG3 0.07 0.05 -0.13 -0.04 1.67 1.61 2p75A1 ARG 15 HD2 0.06 -0.03 0.03 -0.04 3.22 3.25 2p75A1 ARG 15 HD3 0.05 0.03 0.00 -0.04 3.22 3.26 2p75A1 GLU 16 H 0.11 0.30 -0.18 -0.55 8.60 8.28 2p75A1 GLU 16 HA 0.03 0.12 0.50 -0.75 4.29 4.19 2p75A1 GLU 16 HB2 0.11 -0.09 -0.00 -0.04 2.09 2.06 2p75A1 GLU 16 HB3 -0.03 0.00 -0.00 -0.04 1.99 1.92 2p75A1 GLU 16 HG2 0.06 0.03 -0.01 -0.04 2.34 2.37 2p75A1 GLU 16 HG3 0.12 0.03 -0.01 -0.04 2.34 2.44 2p75A1 GLY 17 H 0.04 0.22 -0.65 -0.55 8.43 7.50 2p75A1 GLY 17 HA2 0.00 0.08 0.31 -0.51 4.01 3.89 2p75A1 GLY 17 HA3 0.02 -0.00 0.39 -0.51 4.01 3.90 2p75A1 ARG 18 H -0.04 0.50 0.07 -0.55 8.46 8.44 2p75A1 ARG 18 HA -0.22 0.26 0.85 -0.75 4.34 4.48 2p75A1 ARG 18 HB2 -0.88 -0.16 -0.04 -0.04 1.90 0.78 2p75A1 ARG 18 HB3 -1.10 0.00 -0.22 -0.04 1.80 0.44 2p75A1 ARG 18 HG2 -0.43 0.05 -0.28 -0.04 1.67 0.97 2p75A1 ARG 18 HG3 -0.36 0.02 -0.39 -0.04 1.67 0.90 2p75A1 ARG 18 HD2 -1.25 -0.15 -0.08 -0.04 3.22 1.70 2p75A1 ARG 18 HD3 -1.17 0.13 -0.02 -0.04 3.22 2.12 2p75A1 LEU 19 H -0.26 0.67 0.10 -0.55 8.37 8.34 2p75A1 LEU 19 HA -0.22 0.05 0.43 -0.75 4.35 3.86 2p75A1 LEU 19 HB2 -0.44 0.05 0.20 -0.04 1.64 1.42 2p75A1 LEU 19 HB3 -1.49 -0.08 -0.06 -0.04 1.64 -0.04 2p75A1 LEU 19 HG -0.19 0.16 -0.01 -0.04 1.64 1.56 2p75A1 LEU 19 HD13 -0.44 0.01 -0.05 -0.04 0.93 0.41 2p75A1 LEU 19 HD23 -0.18 -0.00 -0.07 -0.04 0.89 0.60 2p75A1 LEU 20 H 0.18 0.24 0.17 -0.55 8.37 8.41 2p75A1 LEU 20 HA 0.59 0.05 0.93 -0.75 4.35 5.16 2p75A1 LEU 20 HB2 0.58 0.04 -0.07 -0.04 1.64 2.16 2p75A1 LEU 20 HB3 0.35 0.01 0.20 -0.04 1.64 2.15 2p75A1 LEU 20 HG 0.25 0.09 -0.12 -0.04 1.64 1.81 2p75A1 LEU 20 HD13 -0.00 -0.03 -0.01 -0.04 0.93 0.85 2p75A1 LEU 20 HD23 0.17 -0.03 -0.02 -0.04 0.89 0.97 2p75A1 GLY 21 H 0.48 0.02 0.06 -0.55 8.43 8.45 2p75A1 GLY 21 HA2 0.25 0.23 0.89 -0.51 4.01 4.88 2p75A1 GLY 21 HA3 0.30 -0.08 0.45 -0.51 4.01 4.17 2p75A1 TRP 22 H 0.33 0.03 0.17 -0.55 7.97 7.95 2p75A1 TRP 22 HA -0.05 0.21 0.67 -0.75 4.62 4.69 2p75A1 TRP 22 HB2 -0.12 -0.05 0.10 -0.04 3.23 3.12 2p75A1 TRP 22 HB3 -0.13 0.05 0.13 -0.04 3.23 3.24 2p75A1 TRP 22 HD1 -0.11 -0.04 -0.63 -0.04 7.22 6.40 2p75A1 TRP 22 HE1 -0.08 0.47 -0.14 -0.04 10.20 10.40 2p75A1 TRP 22 HE3 -0.43 0.00 0.01 -0.04 7.59 7.14 2p75A1 TRP 22 HZ2 -0.01 0.07 -0.03 -0.04 7.44 7.42 2p75A1 TRP 22 HZ3 -0.18 0.03 -0.00 -0.04 7.13 6.94 2p75A1 TRP 22 HH2 -0.03 0.03 -0.02 -0.04 7.19 7.13 2p75A1 THR 23 H 0.27 -0.12 -0.23 -0.55 8.28 7.65 2p75A1 THR 23 HA 0.08 0.10 0.46 -0.75 4.39 4.28 2p75A1 THR 23 HB 0.04 -0.07 0.06 -0.04 4.32 4.31 2p75A1 THR 23 HG23 -0.34 0.02 -0.18 -0.04 1.22 0.68 2p75A1 ASP 24 H -0.03 0.17 0.14 -0.55 8.40 8.13 2p75A1 ASP 24 HA -0.06 0.10 0.69 -0.75 4.63 4.61 2p75A1 ASP 24 HB2 -0.04 0.09 0.13 -0.04 2.71 2.85 2p75A1 ASP 24 HB3 -0.06 0.02 0.25 -0.04 2.70 2.87 2p75A1 LEU 25 H -0.15 0.28 0.08 -0.55 8.37 8.03 2p75A1 LEU 25 HA -0.19 0.21 0.74 -0.75 4.35 4.35 2p75A1 LEU 25 HB2 -0.25 -0.04 0.04 -0.04 1.64 1.34 2p75A1 LEU 25 HB3 -0.27 0.07 0.08 -0.04 1.64 1.47 2p75A1 LEU 25 HG -0.68 -0.02 -0.18 -0.04 1.64 0.72 2p75A1 LEU 25 HD13 -1.41 -0.02 -0.02 -0.04 0.93 -0.56 2p75A1 LEU 25 HD23 -0.47 0.03 -0.09 -0.04 0.89 0.32 2p75A1 PRO 26 HA -0.08 0.07 0.59 -0.51 4.44 4.51 2p75A1 PRO 26 HB2 -0.05 0.14 0.07 -0.04 2.28 2.40 2p75A1 PRO 26 HB3 -0.06 0.03 0.06 -0.04 2.02 2.01 2p75A1 PRO 26 HG2 -0.07 0.01 -0.01 -0.04 2.03 1.92 2p75A1 PRO 26 HG3 -0.06 0.06 0.06 -0.04 2.03 2.05 2p75A1 PRO 26 HD2 -0.15 0.01 0.23 -0.04 3.68 3.73 2p75A1 PRO 26 HD3 -0.11 0.22 0.19 -0.04 3.65 3.91 2p75A1 LEU 27 H -0.05 0.11 0.09 -0.55 8.37 7.98 2p75A1 LEU 27 HA -0.02 0.15 0.49 -0.75 4.35 4.22 2p75A1 LEU 27 HB2 -0.02 -0.01 0.00 -0.04 1.64 1.58 2p75A1 LEU 27 HB3 0.00 -0.04 -0.02 -0.04 1.64 1.55 2p75A1 LEU 27 HG -0.05 -0.08 0.03 -0.04 1.64 1.51 2p75A1 LEU 27 HD13 -0.00 0.02 -0.20 -0.04 0.93 0.71 2p75A1 LEU 27 HD23 0.02 -0.03 -0.15 -0.04 0.89 0.69 2p75A1 THR 28 H 0.02 0.47 0.30 -0.55 8.28 8.52 2p75A1 THR 28 HA 0.00 0.21 0.63 -0.75 4.39 4.47 2p75A1 THR 28 HB 0.02 -0.02 0.15 -0.04 4.32 4.43 2p75A1 THR 28 HG23 0.03 0.03 -0.13 -0.04 1.22 1.11 2p75A1 ALA 29 H 0.01 0.20 0.15 -0.55 8.40 8.21 2p75A1 ALA 29 HA 0.00 0.16 0.41 -0.75 4.34 4.15 2p75A1 ALA 29 HB3 0.01 0.04 0.11 -0.04 1.41 1.52 2p75A1 GLU 30 H 0.02 0.07 -0.11 -0.55 8.60 8.03 2p75A1 GLU 30 HA 0.02 0.16 0.45 -0.75 4.29 4.16 2p75A1 GLU 30 HB2 0.02 0.05 0.08 -0.04 2.09 2.19 2p75A1 GLU 30 HB3 0.03 -0.06 0.03 -0.04 1.99 1.94 2p75A1 GLU 30 HG2 0.02 0.05 -0.01 -0.04 2.34 2.35 2p75A1 GLU 30 HG3 0.03 -0.00 -0.15 -0.04 2.34 2.17 2p75A1 GLY 31 H 0.03 0.00 -0.38 -0.55 8.43 7.54 2p75A1 GLY 31 HA2 0.05 -0.08 0.50 -0.51 4.01 3.97 2p75A1 GLY 31 HA3 0.04 0.20 0.33 -0.51 4.01 4.06 2p75A1 GLU 32 H 0.01 0.43 -0.27 -0.55 8.60 8.22 2p75A1 GLU 32 HA 0.01 0.06 0.48 -0.75 4.29 4.08 2p75A1 GLU 32 HB2 0.00 0.13 0.12 -0.04 2.09 2.31 2p75A1 GLU 32 HB3 -0.00 0.02 0.02 -0.04 1.99 1.99 2p75A1 GLU 32 HG2 -0.01 -0.05 -0.05 -0.04 2.34 2.20 2p75A1 GLU 32 HG3 -0.00 0.15 -0.10 -0.04 2.34 2.35 2p75A1 ALA 33 H 0.02 0.33 -0.16 -0.55 8.40 8.04 2p75A1 ALA 33 HA 0.01 0.06 0.44 -0.75 4.34 4.10 2p75A1 ALA 33 HB3 0.02 0.02 0.12 -0.04 1.41 1.52 2p75A1 GLN 34 H 0.03 0.46 -0.19 -0.55 8.47 8.23 2p75A1 GLN 34 HA 0.03 0.06 0.39 -0.75 4.36 4.08 2p75A1 GLN 34 HB2 0.05 0.00 0.19 -0.04 2.15 2.35 2p75A1 GLN 34 HB3 0.05 0.10 0.05 -0.04 2.02 2.17 2p75A1 GLN 34 HG2 0.03 0.03 0.03 -0.04 2.40 2.44 2p75A1 GLN 34 HG3 0.03 0.27 0.11 -0.04 2.39 2.76 2p75A1 GLN 34 HE21 0.03 -0.08 -0.01 -0.04 6.97 6.86 2p75A1 GLN 34 HE22 0.03 0.04 -0.02 -0.04 7.69 7.70 2p75A1 ALA 35 H 0.04 0.31 -0.22 -0.55 8.40 7.98 2p75A1 ALA 35 HA 0.09 0.05 0.44 -0.75 4.34 4.16 2p75A1 ALA 35 HB3 0.03 0.02 0.17 -0.04 1.41 1.59 2p75A1 ARG 36 H 0.03 0.46 -0.14 -0.55 8.46 8.26 2p75A1 ARG 36 HA 0.02 0.27 0.41 -0.75 4.34 4.29 2p75A1 ARG 36 HB2 0.01 0.05 0.14 -0.04 1.90 2.07 2p75A1 ARG 36 HB3 0.01 -0.04 0.08 -0.04 1.80 1.81 2p75A1 ARG 36 HG2 -0.00 0.05 0.09 -0.04 1.67 1.77 2p75A1 ARG 36 HG3 0.01 0.17 0.08 -0.04 1.67 1.89 2p75A1 ARG 36 HD2 0.00 -0.04 0.00 -0.04 3.22 3.14 2p75A1 ARG 36 HD3 -0.00 0.01 0.03 -0.04 3.22 3.22 2p75A1 ARG 37 H 0.04 0.34 -0.38 -0.55 8.46 7.91 2p75A1 ARG 37 HA 0.03 0.04 0.46 -0.75 4.34 4.11 2p75A1 ARG 37 HB2 0.04 0.18 0.12 -0.04 1.90 2.20 2p75A1 ARG 37 HB3 0.03 -0.08 0.05 -0.04 1.80 1.76 2p75A1 ARG 37 HG2 0.02 -0.03 0.01 -0.04 1.67 1.63 2p75A1 ARG 37 HG3 0.02 0.19 0.03 -0.04 1.67 1.87 2p75A1 ARG 37 HD2 0.02 0.00 -0.07 -0.04 3.22 3.13 2p75A1 ARG 37 HD3 0.02 -0.03 -0.04 -0.04 3.22 3.12 2p75A1 LEU 38 H 0.07 0.37 -0.51 -0.55 8.37 7.76 2p75A1 LEU 38 HA 0.08 0.03 0.52 -0.75 4.35 4.22 2p75A1 LEU 38 HB2 0.16 0.25 0.12 -0.04 1.64 2.13 2p75A1 LEU 38 HB3 0.19 -0.12 0.01 -0.04 1.64 1.67 2p75A1 LEU 38 HG 0.10 0.16 0.02 -0.04 1.64 1.88 2p75A1 LEU 38 HD13 0.18 -0.04 -0.11 -0.04 0.93 0.92 2p75A1 LEU 38 HD23 0.09 0.00 -0.11 -0.04 0.89 0.83 2p75A1 LYS 39 H 0.05 0.34 -0.22 -0.55 8.42 8.04 2p75A1 LYS 39 HA 0.04 0.21 0.52 -0.75 4.32 4.34 2p75A1 LYS 39 HB2 0.01 0.09 0.16 -0.04 1.87 2.09 2p75A1 LYS 39 HB3 0.00 0.04 0.17 -0.04 1.79 1.96 2p75A1 LYS 39 HG2 -0.05 -0.08 -0.19 -0.04 1.46 1.11 2p75A1 LYS 39 HG3 -0.08 0.11 -0.06 -0.04 1.46 1.39 2p75A1 LYS 39 HD2 -0.04 0.08 -0.09 -0.04 1.69 1.60 2p75A1 LYS 39 HD3 -0.03 -0.06 -0.01 -0.04 1.68 1.54 2p75A1 LYS 39 HE2 -0.06 -0.05 -0.03 -0.04 2.99 2.80 2p75A1 LYS 39 HE3 -0.10 0.04 -0.02 -0.04 2.99 2.87 2p75A1 GLY 40 H -0.03 0.20 0.22 -0.55 8.43 8.28 2p75A1 GLY 40 HA2 -0.05 -0.03 0.35 -0.51 4.01 3.78 2p75A1 GLY 40 HA3 -0.02 0.13 0.67 -0.51 4.01 4.28 2p75A1 ALA 41 H 0.03 0.48 -0.46 -0.55 8.40 7.90 2p75A1 ALA 41 HA -0.00 0.06 0.60 -0.75 4.34 4.24 2p75A1 ALA 41 HB3 0.05 0.01 0.01 -0.04 1.41 1.44 2p75A1 MET 42 H 0.04 0.21 0.05 -0.55 8.47 8.22 2p75A1 MET 42 HA -0.38 0.08 0.55 -0.75 4.52 4.02 2p75A1 MET 42 HB2 0.32 0.01 0.01 -0.04 2.15 2.46 2p75A1 MET 42 HB3 -0.07 0.04 -0.01 -0.04 2.03 1.95 2p75A1 MET 42 HG2 0.09 0.05 -0.02 -0.04 2.63 2.71 2p75A1 MET 42 HG3 0.10 -0.03 -0.08 -0.04 2.56 2.52 2p75A1 MET 42 HE3 0.16 -0.03 -0.29 -0.04 2.10 1.91 2p75A1 PRO 43 HA -0.21 0.09 0.43 -0.51 4.44 4.24 2p75A1 PRO 43 HB2 -0.25 0.02 -0.10 -0.04 2.28 1.90 2p75A1 PRO 43 HB3 -0.44 0.04 0.02 -0.04 2.02 1.60 2p75A1 PRO 43 HG2 -0.64 -0.02 -0.04 -0.04 2.03 1.29 2p75A1 PRO 43 HG3 -1.71 0.03 -0.03 -0.04 2.03 0.27 2p75A1 PRO 43 HD2 -1.07 0.04 0.16 -0.04 3.68 2.76 2p75A1 PRO 43 HD3 -1.99 0.17 0.13 -0.04 3.65 1.91 2p75A1 SER 44 H -0.07 0.11 0.05 -0.55 8.46 8.00 2p75A1 SER 44 HA 0.04 0.17 0.49 -0.75 4.49 4.44 2p75A1 SER 44 HB2 -0.04 -0.00 0.15 -0.04 3.95 4.02 2p75A1 SER 44 HB3 -0.08 0.03 0.09 -0.04 3.93 3.93 2p75A1 LEU 45 H 0.11 0.50 -0.14 -0.55 8.37 8.30 2p75A1 LEU 45 HA 0.03 0.17 0.78 -0.75 4.35 4.57 2p75A1 LEU 45 HB2 -0.02 -0.04 -0.14 -0.04 1.64 1.40 2p75A1 LEU 45 HB3 0.04 0.21 -0.05 -0.04 1.64 1.80 2p75A1 LEU 45 HG -0.09 -0.14 -0.39 -0.04 1.64 0.98 2p75A1 LEU 45 HD13 0.05 -0.01 -0.27 -0.04 0.93 0.65 2p75A1 LEU 45 HD23 0.04 0.03 -0.16 -0.04 0.89 0.76 2p75A1 PRO 46 HA -0.04 0.01 0.47 -0.51 4.44 4.36 2p75A1 PRO 46 HB2 -0.02 0.03 0.06 -0.04 2.28 2.32 2p75A1 PRO 46 HB3 -0.09 -0.01 0.10 -0.04 2.02 1.98 2p75A1 PRO 46 HG2 0.06 0.05 0.08 -0.04 2.03 2.19 2p75A1 PRO 46 HG3 0.02 -0.00 0.09 -0.04 2.03 2.10 2p75A1 PRO 46 HD2 0.06 0.42 0.28 -0.04 3.68 4.40 2p75A1 PRO 46 HD3 0.04 0.10 0.21 -0.04 3.65 3.96 2p75A1 ALA 47 H -0.18 0.12 0.23 -0.55 8.40 8.02 2p75A1 ALA 47 HA -0.17 0.36 1.22 -0.75 4.34 5.00 2p75A1 ALA 47 HB3 -0.02 0.00 -0.02 -0.04 1.41 1.33 2p75A1 PHE 48 H 0.11 0.70 0.46 -0.55 8.34 9.06 2p75A1 PHE 48 HA 0.20 0.23 0.96 -0.75 4.62 5.26 2p75A1 PHE 48 HB2 0.21 -0.01 0.05 -0.04 3.15 3.36 2p75A1 PHE 48 HB3 0.35 -0.02 0.05 -0.04 3.06 3.40 2p75A1 PHE 48 HD2 0.31 0.03 -0.07 -0.04 7.28 7.51 2p75A1 PHE 48 HE2 0.16 0.02 -0.09 -0.04 7.38 7.44 2p75A1 PHE 48 HZ 0.08 -0.01 -0.07 -0.04 7.32 7.29 2p75A1 SER 49 H 0.28 0.60 0.29 -0.55 8.46 9.09 2p75A1 SER 49 HA 0.19 0.26 0.91 -0.75 4.49 5.09 2p75A1 SER 49 HB2 0.16 -0.00 -0.17 -0.04 3.95 3.89 2p75A1 SER 49 HB3 0.07 -0.02 -0.17 -0.04 3.93 3.77 2p75A1 SER 50 H 0.09 0.54 0.27 -0.55 8.46 8.82 2p75A1 SER 50 HA 0.02 0.17 0.47 -0.75 4.49 4.40 2p75A1 SER 50 HB2 0.22 0.27 -0.17 -0.04 3.95 4.23 2p75A1 SER 50 HB3 0.13 0.02 0.11 -0.04 3.93 4.16 2p75A1 ASP 51 H -0.05 0.12 0.01 -0.55 8.40 7.93 2p75A1 ASP 51 HA -0.04 0.21 0.48 -0.75 4.63 4.53 2p75A1 ASP 51 HB2 -0.08 0.04 0.05 -0.04 2.71 2.68 2p75A1 ASP 51 HB3 -0.08 0.01 -0.08 -0.04 2.70 2.51 2p75A1 LEU 52 H 0.00 -0.01 -0.31 -0.55 8.37 7.50 2p75A1 LEU 52 HA -0.07 0.11 0.43 -0.75 4.35 4.07 2p75A1 LEU 52 HB2 0.16 -0.05 0.04 -0.04 1.64 1.75 2p75A1 LEU 52 HB3 0.02 0.00 0.02 -0.04 1.64 1.64 2p75A1 LEU 52 HG -0.15 -0.07 0.03 -0.04 1.64 1.41 2p75A1 LEU 52 HD13 -0.12 0.01 0.04 -0.04 0.93 0.82 2p75A1 LEU 52 HD23 -0.14 0.03 -0.03 -0.04 0.89 0.70 2p75A1 LEU 53 H -0.06 0.16 0.13 -0.55 8.37 8.06 2p75A1 LEU 53 HA -0.06 0.12 0.31 -0.75 4.35 3.96 2p75A1 LEU 53 HB2 -0.06 0.06 0.08 -0.04 1.64 1.68 2p75A1 LEU 53 HB3 -0.07 0.04 -0.02 -0.04 1.64 1.54 2p75A1 LEU 53 HG -0.07 -0.06 -0.26 -0.04 1.64 1.21 2p75A1 LEU 53 HD13 -0.05 0.01 -0.00 -0.04 0.93 0.84 2p75A1 LEU 53 HD23 -0.06 0.01 -0.14 -0.04 0.89 0.66 2p75A1 ARG 54 H -0.11 0.17 -0.13 -0.55 8.46 7.84 2p75A1 ARG 54 HA -0.12 -0.00 0.35 -0.75 4.34 3.82 2p75A1 ARG 54 HB2 -0.42 0.07 -0.07 -0.04 1.90 1.44 2p75A1 ARG 54 HB3 -0.21 0.13 -0.03 -0.04 1.80 1.65 2p75A1 ARG 54 HG2 -0.15 -0.13 -0.03 -0.04 1.67 1.32 2p75A1 ARG 54 HG3 -0.80 0.03 -0.13 -0.04 1.67 0.73 2p75A1 ARG 54 HD2 -0.43 0.01 -0.07 -0.04 3.22 2.69 2p75A1 ARG 54 HD3 -0.14 0.02 -0.00 -0.04 3.22 3.06 2p75A1 ALA 55 H -0.10 0.18 -0.40 -0.55 8.40 7.53 2p75A1 ALA 55 HA -0.01 0.08 0.57 -0.75 4.34 4.23 2p75A1 ALA 55 HB3 -0.09 0.04 -0.02 -0.04 1.41 1.30 2p75A1 ARG 56 H -0.05 0.50 -0.06 -0.55 8.46 8.30 2p75A1 ARG 56 HA -0.11 0.06 0.37 -0.75 4.34 3.92 2p75A1 ARG 56 HB2 -0.06 0.01 0.02 -0.04 1.90 1.83 2p75A1 ARG 56 HB3 -0.04 0.14 -0.01 -0.04 1.80 1.85 2p75A1 ARG 56 HG2 -0.06 0.02 -0.05 -0.04 1.67 1.55 2p75A1 ARG 56 HG3 -0.06 -0.01 -0.23 -0.04 1.67 1.33 2p75A1 ARG 56 HD2 -0.05 -0.00 -0.07 -0.04 3.22 3.06 2p75A1 ARG 56 HD3 -0.05 0.15 -0.15 -0.04 3.22 3.13 2p75A1 ARG 57 H -0.07 0.54 -0.28 -0.55 8.46 8.10 2p75A1 ARG 57 HA -0.07 0.06 0.46 -0.75 4.34 4.03 2p75A1 ARG 57 HB2 -0.06 -0.00 0.07 -0.04 1.90 1.87 2p75A1 ARG 57 HB3 -0.06 0.04 0.07 -0.04 1.80 1.81 2p75A1 ARG 57 HG2 -0.04 -0.10 -0.03 -0.04 1.67 1.47 2p75A1 ARG 57 HG3 -0.04 0.01 -0.18 -0.04 1.67 1.42 2p75A1 ARG 57 HD2 -0.05 0.00 0.10 -0.04 3.22 3.23 2p75A1 ARG 57 HD3 -0.04 0.00 0.02 -0.04 3.22 3.16 2p75A1 THR 58 H -0.06 0.30 -0.32 -0.55 8.28 7.65 2p75A1 THR 58 HA -0.01 -0.00 0.47 -0.75 4.39 4.09 2p75A1 THR 58 HB 0.06 0.19 0.25 -0.04 4.32 4.78 2p75A1 THR 58 HG23 0.20 0.01 -0.08 -0.04 1.22 1.31 2p75A1 ALA 59 H -0.33 0.43 -0.15 -0.55 8.40 7.81 2p75A1 ALA 59 HA -1.80 0.04 0.31 -0.75 4.34 2.14 2p75A1 ALA 59 HB3 -0.67 0.01 0.01 -0.04 1.41 0.73 2p75A1 GLU 60 H -0.18 0.45 -0.24 -0.55 8.60 8.08 2p75A1 GLU 60 HA -0.08 0.31 0.49 -0.75 4.29 4.25 2p75A1 GLU 60 HB2 -0.08 0.01 0.13 -0.04 2.09 2.10 2p75A1 GLU 60 HB3 -0.08 0.02 0.19 -0.04 1.99 2.09 2p75A1 GLU 60 HG2 -0.05 0.01 -0.32 -0.04 2.34 1.94 2p75A1 GLU 60 HG3 -0.05 0.02 0.01 -0.04 2.34 2.28 2p75A1 LEU 61 H -0.07 0.52 -0.08 -0.55 8.37 8.19 2p75A1 LEU 61 HA -0.03 0.03 0.44 -0.75 4.35 4.04 2p75A1 LEU 61 HB2 -0.02 0.06 0.08 -0.04 1.64 1.72 2p75A1 LEU 61 HB3 -0.00 -0.03 -0.03 -0.04 1.64 1.53 2p75A1 LEU 61 HG -0.03 0.05 0.08 -0.04 1.64 1.70 2p75A1 LEU 61 HD13 -0.01 -0.01 0.03 -0.04 0.93 0.90 2p75A1 LEU 61 HD23 -0.02 -0.01 0.02 -0.04 0.89 0.84 2p75A1 ALA 62 H -0.04 0.32 -0.53 -0.55 8.40 7.61 2p75A1 ALA 62 HA 0.09 0.10 0.56 -0.75 4.34 4.33 2p75A1 ALA 62 HB3 0.27 -0.01 0.02 -0.04 1.41 1.65 2p75A1 GLY 63 H -0.03 0.38 -0.53 -0.55 8.43 7.71 2p75A1 GLY 63 HA2 -0.11 0.00 0.26 -0.51 4.01 3.66 2p75A1 GLY 63 HA3 -0.20 0.05 0.61 -0.51 4.01 3.96 2p75A1 PHE 64 H 0.07 0.54 0.08 -0.55 8.34 8.47 2p75A1 PHE 64 HA -0.05 0.18 0.87 -0.75 4.62 4.87 2p75A1 PHE 64 HB2 -0.22 0.04 -0.05 -0.04 3.15 2.88 2p75A1 PHE 64 HB3 -0.02 -0.11 -0.08 -0.04 3.06 2.80 2p75A1 PHE 64 HD2 0.06 -0.03 -0.17 -0.04 7.28 7.10 2p75A1 PHE 64 HE2 0.06 0.04 -0.06 -0.04 7.38 7.39 2p75A1 PHE 64 HZ -0.06 0.13 -0.19 -0.04 7.32 7.16 2p75A1 SER 65 H 0.11 0.17 -0.06 -0.55 8.46 8.15 2p75A1 SER 65 HA -0.01 0.14 0.67 -0.75 4.49 4.52 2p75A1 SER 65 HB2 -0.02 0.02 -0.07 -0.04 3.95 3.85 2p75A1 SER 65 HB3 -0.00 -0.02 0.17 -0.04 3.93 4.03 2p75A1 PRO 66 HA -0.03 0.19 0.32 -0.51 4.44 4.41 2p75A1 PRO 66 HB2 0.07 0.03 -0.36 -0.04 2.28 1.97 2p75A1 PRO 66 HB3 0.06 -0.01 -0.36 -0.04 2.02 1.67 2p75A1 PRO 66 HG2 -0.03 -0.01 -0.17 -0.04 2.03 1.77 2p75A1 PRO 66 HG3 -0.13 -0.02 -0.16 -0.04 2.03 1.68 2p75A1 PRO 66 HD2 -0.05 0.11 -0.05 -0.04 3.68 3.66 2p75A1 PRO 66 HD3 -0.04 0.12 -0.54 -0.04 3.65 3.16 2p75A1 ARG 67 H -0.05 0.51 0.36 -0.55 8.46 8.73 2p75A1 ARG 67 HA 0.01 0.10 0.87 -0.75 4.34 4.57 2p75A1 ARG 67 HB2 0.09 0.03 0.16 -0.04 1.90 2.15 2p75A1 ARG 67 HB3 0.37 0.03 0.22 -0.04 1.80 2.37 2p75A1 ARG 67 HG2 -0.14 0.01 -0.24 -0.04 1.67 1.26 2p75A1 ARG 67 HG3 -0.06 -0.04 0.09 -0.04 1.67 1.61 2p75A1 ARG 67 HD2 0.16 0.00 0.03 -0.04 3.22 3.37 2p75A1 ARG 67 HD3 0.51 0.00 -0.01 -0.04 3.22 3.69 2p75A1 LEU 68 H -0.06 0.13 0.12 -0.55 8.37 8.01 2p75A1 LEU 68 HA 0.05 0.29 0.65 -0.75 4.35 4.59 2p75A1 LEU 68 HB2 -0.09 -0.03 0.08 -0.04 1.64 1.56 2p75A1 LEU 68 HB3 -0.05 -0.09 -0.10 -0.04 1.64 1.37 2p75A1 LEU 68 HG -0.03 0.03 -0.02 -0.04 1.64 1.58 2p75A1 LEU 68 HD13 -0.05 -0.01 -0.02 -0.04 0.93 0.81 2p75A1 LEU 68 HD23 -0.01 0.02 -0.28 -0.04 0.89 0.58 2p75A1 TYR 69 H 0.10 0.72 0.26 -0.55 8.29 8.82 2p75A1 TYR 69 HA -0.02 0.23 0.86 -0.75 4.56 4.88 2p75A1 TYR 69 HB2 -0.17 0.04 0.04 -0.04 3.06 2.93 2p75A1 TYR 69 HB3 -0.23 -0.15 -0.01 -0.04 2.98 2.55 2p75A1 TYR 69 HD2 0.21 -0.03 -0.08 -0.04 7.15 7.21 2p75A1 TYR 69 HE2 0.21 0.00 -0.05 -0.04 6.85 6.97 2p75A1 PRO 70 HA -0.15 -0.07 0.53 -0.51 4.44 4.24 2p75A1 PRO 70 HB2 -0.13 0.08 -0.02 -0.04 2.28 2.17 2p75A1 PRO 70 HB3 -0.24 0.01 0.12 -0.04 2.02 1.87 2p75A1 PRO 70 HG2 -0.04 0.08 0.07 -0.04 2.03 2.10 2p75A1 PRO 70 HG3 -0.10 0.06 0.06 -0.04 2.03 2.01 2p75A1 PRO 70 HD2 0.04 0.17 0.24 -0.04 3.68 4.08 2p75A1 PRO 70 HD3 -0.07 0.19 0.05 -0.04 3.65 3.78 2p75A1 GLU 71 H -0.03 0.13 -0.35 -0.55 8.60 7.81 2p75A1 GLU 71 HA -0.04 0.07 0.36 -0.75 4.29 3.93 2p75A1 GLU 71 HB2 -0.32 0.00 -0.03 -0.04 2.09 1.70 2p75A1 GLU 71 HB3 -0.10 0.13 0.01 -0.04 1.99 1.98 2p75A1 GLU 71 HG2 0.12 0.09 0.01 -0.04 2.34 2.51 2p75A1 GLU 71 HG3 0.04 -0.03 0.01 -0.04 2.34 2.32 2p75A1 LEU 72 H -0.22 0.34 -0.49 -0.55 8.37 7.45 2p75A1 LEU 72 HA -0.19 0.20 0.62 -0.75 4.35 4.22 2p75A1 LEU 72 HB2 -0.12 0.09 -0.07 -0.04 1.64 1.50 2p75A1 LEU 72 HB3 -0.04 -0.06 0.09 -0.04 1.64 1.59 2p75A1 LEU 72 HG -1.16 -0.04 -0.20 -0.04 1.64 0.20 2p75A1 LEU 72 HD13 -0.00 0.03 -0.27 -0.04 0.93 0.64 2p75A1 LEU 72 HD23 -0.19 0.02 -0.13 -0.04 0.89 0.56 2p75A1 ARG 73 H -0.03 0.47 -0.35 -0.55 8.46 7.99 2p75A1 ARG 73 HA 0.01 -0.10 0.49 -0.75 4.34 3.99 2p75A1 ARG 73 HB2 -0.03 0.14 0.09 -0.04 1.90 2.06 2p75A1 ARG 73 HB3 -0.13 0.04 0.04 -0.04 1.80 1.71 2p75A1 ARG 73 HG2 -0.23 -0.19 0.10 -0.04 1.67 1.31 2p75A1 ARG 73 HG3 -0.25 0.05 0.24 -0.04 1.67 1.66 2p75A1 ARG 73 HD2 -1.28 0.06 0.05 -0.04 3.22 2.01 2p75A1 ARG 73 HD3 -1.33 -0.02 0.02 -0.04 3.22 1.86 2p75A1 GLU 74 H -0.62 0.05 0.14 -0.55 8.60 7.63 2p75A1 GLU 74 HA 0.08 -0.05 0.44 -0.75 4.29 4.01 2p75A1 GLU 74 HB2 -0.35 -0.07 0.20 -0.04 2.09 1.84 2p75A1 GLU 74 HB3 -0.10 0.10 0.10 -0.04 1.99 2.05 2p75A1 GLU 74 HG2 0.18 0.32 0.28 -0.04 2.34 3.08 2p75A1 GLU 74 HG3 -0.18 0.13 0.12 -0.04 2.34 2.36 2p75A1 ILE 75 H -0.62 0.02 0.10 -0.55 8.25 7.21 2p75A1 ILE 75 HA -0.42 0.13 0.37 -0.75 4.18 3.51 2p75A1 ILE 75 HB -1.94 0.05 0.04 -0.04 1.89 -0.01 2p75A1 ILE 75 HG12 -0.51 0.06 -0.26 -0.04 1.49 0.74 2p75A1 ILE 75 HG13 -0.43 -0.04 -0.03 -0.04 1.21 0.67 2p75A1 ILE 75 HG23 -1.13 -0.03 -0.14 -0.04 0.93 -0.41 2p75A1 ILE 75 HD13 -0.23 0.04 -0.23 -0.04 0.88 0.42 2p75A1 HIS 76 H -0.44 0.18 0.12 -0.55 8.41 7.73 2p75A1 HIS 76 HA -1.07 -0.02 0.66 -0.75 4.63 3.44 2p75A1 HIS 76 HB2 -2.61 0.14 0.11 -0.04 3.26 0.86 2p75A1 HIS 76 HB3 -0.88 -0.07 0.23 -0.04 3.20 2.45 2p75A1 HIS 76 HD2 -0.66 0.05 -0.00 -0.04 6.97 6.31 2p75A1 HIS 76 HE1 -0.09 0.07 0.03 -0.04 7.75 7.72 2p75A1 PHE 77 H -0.05 0.08 0.13 -0.55 8.34 7.94 2p75A1 PHE 77 HA -0.09 0.19 0.35 -0.75 4.62 4.32 2p75A1 PHE 77 HB2 0.01 -0.08 -0.12 -0.04 3.15 2.92 2p75A1 PHE 77 HB3 -0.02 -0.02 -0.23 -0.04 3.06 2.75 2p75A1 PHE 77 HD2 0.15 -0.08 -0.17 -0.04 7.28 7.14 2p75A1 PHE 77 HE2 -0.08 0.11 -0.25 -0.04 7.38 7.12 2p75A1 PHE 77 HZ -0.03 0.03 -0.06 -0.04 7.32 7.21 2p75A1 GLY 78 H -0.78 -0.03 -0.45 -0.55 8.43 6.62 2p75A1 GLY 78 HA2 -0.57 0.20 0.06 -0.51 4.01 3.19 2p75A1 GLY 78 HA3 -0.40 0.12 -0.11 -0.51 4.01 3.12 2p75A1 ALA 79 H -0.15 0.80 0.25 -0.55 8.40 8.75 2p75A1 ALA 79 HA -0.03 0.05 0.40 -0.75 4.34 3.99 2p75A1 ALA 79 HB3 -0.07 -0.01 0.11 -0.04 1.41 1.40 2p75A1 LEU 80 H -0.09 0.49 -0.41 -0.55 8.37 7.80 2p75A1 LEU 80 HA -0.11 0.16 0.63 -0.75 4.35 4.28 2p75A1 LEU 80 HB2 0.02 0.09 0.03 -0.04 1.64 1.73 2p75A1 LEU 80 HB3 -0.16 -0.07 0.09 -0.04 1.64 1.47 2p75A1 LEU 80 HG -0.32 0.00 0.02 -0.04 1.64 1.30 2p75A1 LEU 80 HD13 -0.59 -0.01 -0.01 -0.04 0.93 0.27 2p75A1 LEU 80 HD23 -0.27 0.01 -0.07 -0.04 0.89 0.53 2p75A1 GLU 81 H 0.04 0.51 -0.52 -0.55 8.60 8.09 2p75A1 GLU 81 HA 0.16 -0.10 0.34 -0.75 4.29 3.94 2p75A1 GLU 81 HB2 0.15 0.16 0.06 -0.04 2.09 2.42 2p75A1 GLU 81 HB3 0.30 -0.04 -0.02 -0.04 1.99 2.19 2p75A1 GLU 81 HG2 0.18 0.03 -0.05 -0.04 2.34 2.46 2p75A1 GLU 81 HG3 0.25 0.06 0.02 -0.04 2.34 2.63 2p75A1 GLY 82 H -0.02 0.67 0.33 -0.55 8.43 8.87 2p75A1 GLY 82 HA2 -1.54 -0.04 0.30 -0.51 4.01 2.22 2p75A1 GLY 82 HA3 -0.40 0.07 0.47 -0.51 4.01 3.64 2p75A1 ALA 83 H -0.23 0.51 -0.31 -0.55 8.40 7.83 2p75A1 ALA 83 HA -0.19 0.05 0.44 -0.75 4.34 3.89 2p75A1 ALA 83 HB3 -0.16 0.01 0.03 -0.04 1.41 1.26 2p75A1 LEU 84 H -0.15 0.12 0.17 -0.55 8.37 7.96 2p75A1 LEU 84 HA -0.13 0.25 0.63 -0.75 4.35 4.34 2p75A1 LEU 84 HB2 -0.09 -0.05 0.17 -0.04 1.64 1.63 2p75A1 LEU 84 HB3 -0.05 -0.09 0.05 -0.04 1.64 1.52 2p75A1 LEU 84 HG -0.14 0.02 0.06 -0.04 1.64 1.54 2p75A1 LEU 84 HD13 -0.05 -0.01 0.03 -0.04 0.93 0.86 2p75A1 LEU 84 HD23 -0.09 0.00 -0.00 -0.04 0.89 0.76 2p75A1 TRP 85 H 0.13 0.75 0.38 -0.55 7.97 8.69 2p75A1 TRP 85 HA -0.11 0.01 0.35 -0.75 4.62 4.12 2p75A1 TRP 85 HB2 -0.10 -0.01 0.05 -0.04 3.23 3.14 2p75A1 TRP 85 HB3 -0.07 0.03 0.17 -0.04 3.23 3.31 2p75A1 TRP 85 HD1 -0.03 -0.01 -0.18 -0.04 7.22 6.96 2p75A1 TRP 85 HE1 -0.01 0.01 -0.08 -0.04 10.20 10.09 2p75A1 TRP 85 HE3 -0.12 -0.03 -0.05 -0.04 7.59 7.35 2p75A1 TRP 85 HZ2 -0.00 0.03 -0.03 -0.04 7.44 7.39 2p75A1 TRP 85 HZ3 -0.08 -0.04 -0.06 -0.04 7.13 6.91 2p75A1 TRP 85 HH2 -0.01 0.06 -0.00 -0.04 7.19 7.19 2p75A1 GLU 86 H 0.13 0.14 -0.09 -0.55 8.60 8.24 2p75A1 GLU 86 HA 0.01 0.06 0.33 -0.75 4.29 3.94 2p75A1 GLU 86 HB2 0.07 0.03 0.11 -0.04 2.09 2.26 2p75A1 GLU 86 HB3 -0.00 -0.05 0.04 -0.04 1.99 1.93 2p75A1 GLU 86 HG2 -0.02 0.03 -0.19 -0.04 2.34 2.12 2p75A1 GLU 86 HG3 0.03 0.00 0.03 -0.04 2.34 2.36 2p75A1 THR 87 H -0.10 0.12 -0.38 -0.55 8.28 7.37 2p75A1 THR 87 HA -0.10 0.22 0.77 -0.75 4.39 4.52 2p75A1 THR 87 HB -0.06 -0.02 0.15 -0.04 4.32 4.34 2p75A1 THR 87 HG23 -0.05 -0.01 -0.06 -0.04 1.22 1.06 2p75A1 LEU 88 H -0.29 0.51 -0.32 -0.55 8.37 7.72 2p75A1 LEU 88 HA -0.11 -0.05 0.45 -0.75 4.35 3.89 2p75A1 LEU 88 HB2 -0.37 0.11 0.11 -0.04 1.64 1.44 2p75A1 LEU 88 HB3 -0.57 0.02 0.02 -0.04 1.64 1.07 2p75A1 LEU 88 HG -0.01 -0.07 -0.07 -0.04 1.64 1.44 2p75A1 LEU 88 HD13 -0.13 -0.01 -0.02 -0.04 0.93 0.73 2p75A1 LEU 88 HD23 -0.36 -0.01 -0.15 -0.04 0.89 0.33 2p75A1 ASP 89 H 0.06 0.07 0.19 -0.55 8.40 8.17 2p75A1 ASP 89 HA -0.07 0.18 0.43 -0.75 4.63 4.41 2p75A1 ASP 89 HB2 0.01 0.10 0.19 -0.04 2.71 2.97 2p75A1 ASP 89 HB3 -0.10 -0.14 0.16 -0.04 2.70 2.58 2p75A1 PRO 90 HA -0.12 0.11 0.42 -0.51 4.44 4.35 2p75A1 PRO 90 HB2 -0.07 -0.01 0.07 -0.04 2.28 2.23 2p75A1 PRO 90 HB3 -0.06 0.06 0.10 -0.04 2.02 2.09 2p75A1 PRO 90 HG2 -0.06 0.05 0.10 -0.04 2.03 2.08 2p75A1 PRO 90 HG3 -0.08 0.13 0.13 -0.04 2.03 2.17 2p75A1 PRO 90 HD2 -0.08 0.05 0.23 -0.04 3.68 3.83 2p75A1 PRO 90 HD3 -0.08 0.23 0.24 -0.04 3.65 4.00 2p75A1 ARG 91 H -0.15 0.10 -0.32 -0.55 8.46 7.54 2p75A1 ARG 91 HA -0.07 0.12 0.45 -0.75 4.34 4.09 2p75A1 ARG 91 HB2 -0.16 0.06 0.05 -0.04 1.90 1.81 2p75A1 ARG 91 HB3 -0.16 0.02 0.08 -0.04 1.80 1.70 2p75A1 ARG 91 HG2 -0.43 -0.10 -0.00 -0.04 1.67 1.09 2p75A1 ARG 91 HG3 -0.81 0.05 -0.17 -0.04 1.67 0.70 2p75A1 ARG 91 HD2 -0.48 0.03 -0.03 -0.04 3.22 2.70 2p75A1 ARG 91 HD3 -0.24 0.03 0.01 -0.04 3.22 2.97 2p75A1 TYR 92 H -0.13 0.29 -0.16 -0.55 8.29 7.74 2p75A1 TYR 92 HA 0.15 0.07 0.52 -0.75 4.56 4.54 2p75A1 TYR 92 HB2 -0.07 0.13 0.07 -0.04 3.06 3.15 2p75A1 TYR 92 HB3 0.10 -0.01 -0.03 -0.04 2.98 3.00 2p75A1 TYR 92 HD2 0.10 -0.04 0.03 -0.04 7.15 7.20 2p75A1 TYR 92 HE2 -0.06 0.04 -0.06 -0.04 6.85 6.73 2p75A1 LYS 93 H -0.10 0.49 -0.17 -0.55 8.42 8.08 2p75A1 LYS 93 HA -0.52 0.02 0.35 -0.75 4.32 3.42 2p75A1 LYS 93 HB2 -0.19 0.03 0.10 -0.04 1.87 1.76 2p75A1 LYS 93 HB3 -0.18 -0.01 -0.07 -0.04 1.79 1.49 2p75A1 LYS 93 HG2 -1.35 -0.07 -0.03 -0.04 1.46 -0.04 2p75A1 LYS 93 HG3 -0.47 0.22 -0.20 -0.04 1.46 0.97 2p75A1 LYS 93 HD2 -0.23 -0.05 -0.03 -0.04 1.69 1.34 2p75A1 LYS 93 HD3 -0.48 -0.08 -0.04 -0.04 1.68 1.04 2p75A1 LYS 93 HE2 -0.26 -0.09 0.00 -0.04 2.99 2.61 2p75A1 LYS 93 HE3 -0.93 0.22 -0.02 -0.04 2.99 2.22 2p75A1 GLU 94 H -0.01 0.65 -0.14 -0.55 8.60 8.55 2p75A1 GLU 94 HA 0.08 0.02 0.41 -0.75 4.29 4.05 2p75A1 GLU 94 HB2 0.02 -0.02 0.10 -0.04 2.09 2.15 2p75A1 GLU 94 HB3 0.02 0.08 0.18 -0.04 1.99 2.22 2p75A1 GLU 94 HG2 0.06 0.06 -0.36 -0.04 2.34 2.06 2p75A1 GLU 94 HG3 0.06 -0.04 -0.03 -0.04 2.34 2.28 2p75A1 ALA 95 H 0.09 0.43 -0.25 -0.55 8.40 8.13 2p75A1 ALA 95 HA 0.10 0.17 0.40 -0.75 4.34 4.26 2p75A1 ALA 95 HB3 0.24 -0.02 0.02 -0.04 1.41 1.61 2p75A1 LEU 96 H 0.09 0.59 -0.23 -0.55 8.37 8.28 2p75A1 LEU 96 HA -0.03 -0.01 0.51 -0.75 4.35 4.07 2p75A1 LEU 96 HB2 0.37 0.12 0.11 -0.04 1.64 2.20 2p75A1 LEU 96 HB3 0.23 -0.05 -0.01 -0.04 1.64 1.77 2p75A1 LEU 96 HG -0.37 0.10 0.01 -0.04 1.64 1.34 2p75A1 LEU 96 HD13 0.01 -0.03 -0.08 -0.04 0.93 0.80 2p75A1 LEU 96 HD23 -0.93 -0.03 -0.07 -0.04 0.89 -0.18 2p75A1 LEU 97 H 0.25 0.68 -0.04 -0.55 8.37 8.72 2p75A1 LEU 97 HA 0.17 0.01 0.41 -0.75 4.35 4.19 2p75A1 LEU 97 HB2 0.17 0.03 0.17 -0.04 1.64 1.98 2p75A1 LEU 97 HB3 0.14 -0.04 -0.02 -0.04 1.64 1.68 2p75A1 LEU 97 HG 0.56 0.13 0.05 -0.04 1.64 2.34 2p75A1 LEU 97 HD13 0.22 -0.03 -0.09 -0.04 0.93 0.99 2p75A1 LEU 97 HD23 0.21 -0.02 -0.02 -0.04 0.89 1.02 2p75A1 ARG 98 H 0.14 0.65 -0.11 -0.55 8.46 8.59 2p75A1 ARG 98 HA 0.12 0.08 0.53 -0.75 4.34 4.32 2p75A1 ARG 98 HB2 0.10 0.09 0.00 -0.04 1.90 2.06 2p75A1 ARG 98 HB3 0.10 -0.05 0.03 -0.04 1.80 1.83 2p75A1 ARG 98 HG2 0.07 -0.02 -0.03 -0.04 1.67 1.65 2p75A1 ARG 98 HG3 0.09 -0.03 -0.00 -0.04 1.67 1.69 2p75A1 ARG 98 HD2 0.06 -0.06 -0.03 -0.04 3.22 3.15 2p75A1 ARG 98 HD3 0.07 0.02 -0.08 -0.04 3.22 3.19 2p75A1 PHE 99 H 0.22 0.08 -0.75 -0.55 8.34 7.34 2p75A1 PHE 99 HA 0.05 -0.04 0.33 -0.75 4.62 4.21 2p75A1 PHE 99 HB2 0.06 0.05 -0.29 -0.04 3.15 2.93 2p75A1 PHE 99 HB3 0.07 0.08 0.20 -0.04 3.06 3.37 2p75A1 PHE 99 HD2 0.07 0.11 0.05 -0.04 7.28 7.47 2p75A1 PHE 99 HE2 0.11 -0.05 0.02 -0.04 7.38 7.41 2p75A1 PHE 99 HZ 0.30 0.02 0.03 -0.04 7.32 7.62 2p75A1 GLN 100 H 0.06 0.66 0.08 -0.55 8.47 8.73 2p75A1 GLN 100 HA 0.01 -0.05 0.47 -0.75 4.36 4.03 2p75A1 GLN 100 HB2 0.08 -0.11 0.02 -0.04 2.15 2.10 2p75A1 GLN 100 HB3 0.11 0.29 -0.18 -0.04 2.02 2.20 2p75A1 GLN 100 HG2 0.10 0.04 -0.38 -0.04 2.40 2.12 2p75A1 GLN 100 HG3 0.08 -0.06 -0.21 -0.04 2.39 2.16 2p75A1 GLN 100 HE21 0.06 -0.01 -0.07 -0.04 6.97 6.91 2p75A1 GLN 100 HE22 0.06 -0.05 -0.14 -0.04 7.69 7.53 2p75A1 GLY 101 H 0.03 0.11 0.11 -0.55 8.43 8.14 2p75A1 GLY 101 HA2 0.08 -0.02 0.31 -0.51 4.01 3.87 2p75A1 GLY 101 HA3 0.11 0.11 0.37 -0.51 4.01 4.09 2p75A1 PHE 102 H -0.07 -0.02 -0.06 -0.55 8.34 7.64 2p75A1 PHE 102 HA 0.01 0.21 0.78 -0.75 4.62 4.86 2p75A1 PHE 102 HB2 -0.07 0.14 -0.20 -0.04 3.15 2.97 2p75A1 PHE 102 HB3 -0.20 -0.19 0.11 -0.04 3.06 2.73 2p75A1 PHE 102 HD2 -0.03 -0.01 -0.05 -0.04 7.28 7.15 2p75A1 PHE 102 HE2 -0.15 -0.02 -0.10 -0.04 7.38 7.07 2p75A1 PHE 102 HZ 0.14 -0.02 -0.07 -0.04 7.32 7.33 2p75A1 HIS 103 H -0.07 0.25 -0.04 -0.55 8.41 8.00 2p75A1 HIS 103 HA -0.29 0.14 0.78 -0.75 4.63 4.51 2p75A1 HIS 103 HB2 -0.06 0.03 0.08 -0.04 3.26 3.28 2p75A1 HIS 103 HB3 -0.10 0.03 0.01 -0.04 3.20 3.10 2p75A1 HIS 103 HD2 0.00 0.14 -0.30 -0.04 6.97 6.77 2p75A1 HIS 103 HE1 -0.01 -0.01 -0.02 -0.04 7.75 7.66 2p75A1 PRO 104 HA -0.36 0.14 0.51 -0.51 4.44 4.22 2p75A1 PRO 104 HB2 -0.35 0.14 -0.14 -0.04 2.28 1.89 2p75A1 PRO 104 HB3 -0.66 -0.00 0.01 -0.04 2.02 1.32 2p75A1 PRO 104 HG2 -0.45 -0.16 -0.24 -0.04 2.03 1.14 2p75A1 PRO 104 HG3 -0.52 0.09 -0.07 -0.04 2.03 1.49 2p75A1 PRO 104 HD2 -0.64 0.13 -0.26 -0.04 3.68 2.87 2p75A1 PRO 104 HD3 -2.30 0.02 -0.28 -0.04 3.65 1.05 2p75A1 PRO 105 HA -0.09 0.07 0.50 -0.51 4.44 4.41 2p75A1 PRO 105 HB2 -0.06 -0.03 0.13 -0.04 2.28 2.28 2p75A1 PRO 105 HB3 -0.04 0.06 0.11 -0.04 2.02 2.11 2p75A1 PRO 105 HG2 0.03 0.05 0.10 -0.04 2.03 2.17 2p75A1 PRO 105 HG3 0.01 0.10 0.10 -0.04 2.03 2.20 2p75A1 PRO 105 HD2 -0.15 0.04 0.22 -0.04 3.68 3.76 2p75A1 PRO 105 HD3 -0.01 0.21 0.27 -0.04 3.65 4.08 2p75A1 GLY 106 H -0.10 0.19 0.19 -0.55 8.43 8.17 2p75A1 GLY 106 HA2 -0.09 0.05 0.35 -0.51 4.01 3.82 2p75A1 GLY 106 HA3 -0.11 0.04 0.44 -0.51 4.01 3.87 2p75A1 GLY 107 H -0.26 0.43 -0.42 -0.55 8.43 7.63 2p75A1 GLY 107 HA2 -0.89 0.12 0.81 -0.51 4.01 3.55 2p75A1 GLY 107 HA3 -0.61 0.01 0.01 -0.51 4.01 2.92 2p75A1 GLU 108 H -0.44 0.60 0.24 -0.55 8.60 8.45 2p75A1 GLU 108 HA -0.14 0.12 0.82 -0.75 4.29 4.34 2p75A1 GLU 108 HB2 -0.28 -0.13 0.22 -0.04 2.09 1.86 2p75A1 GLU 108 HB3 -0.09 0.11 -0.07 -0.04 1.99 1.89 2p75A1 GLU 108 HG2 -0.02 0.05 -0.00 -0.04 2.34 2.32 2p75A1 GLU 108 HG3 -0.20 -0.02 -0.00 -0.04 2.34 2.07 2p75A1 SER 109 H -0.08 0.09 0.20 -0.55 8.46 8.12 2p75A1 SER 109 HA -0.31 0.41 0.69 -0.75 4.49 4.53 2p75A1 SER 109 HB2 -0.34 0.03 0.20 -0.04 3.95 3.80 2p75A1 SER 109 HB3 -0.01 0.10 0.16 -0.04 3.93 4.14 2p75A1 LEU 110 H -0.13 0.39 0.29 -0.55 8.37 8.37 2p75A1 LEU 110 HA 0.02 0.10 0.43 -0.75 4.35 4.14 2p75A1 LEU 110 HB2 -0.09 -0.18 0.14 -0.04 1.64 1.47 2p75A1 LEU 110 HB3 -0.18 0.13 -0.06 -0.04 1.64 1.49 2p75A1 LEU 110 HG -0.03 -0.01 -0.02 -0.04 1.64 1.55 2p75A1 LEU 110 HD13 -0.38 0.04 -0.25 -0.04 0.93 0.30 2p75A1 LEU 110 HD23 -0.65 0.02 -0.01 -0.04 0.89 0.21 2p75A1 SER 111 H -0.06 0.07 -0.13 -0.55 8.46 7.80 2p75A1 SER 111 HA 0.04 0.16 0.42 -0.75 4.49 4.36 2p75A1 SER 111 HB2 0.05 0.09 0.02 -0.04 3.95 4.08 2p75A1 SER 111 HB3 0.04 0.02 0.10 -0.04 3.93 4.05 2p75A1 ALA 112 H 0.01 0.05 -0.26 -0.55 8.40 7.66 2p75A1 ALA 112 HA 0.04 0.11 0.45 -0.75 4.34 4.18 2p75A1 ALA 112 HB3 0.03 0.02 0.09 -0.04 1.41 1.51 2p75A1 PHE 113 H 0.13 0.43 -0.24 -0.55 8.34 8.11 2p75A1 PHE 113 HA -0.04 0.04 0.40 -0.75 4.62 4.26 2p75A1 PHE 113 HB2 -0.09 -0.05 0.03 -0.04 3.15 3.00 2p75A1 PHE 113 HB3 -0.11 0.12 0.17 -0.04 3.06 3.20 2p75A1 PHE 113 HD2 -0.05 0.03 -0.05 -0.04 7.28 7.17 2p75A1 PHE 113 HE2 0.11 0.29 -0.14 -0.04 7.38 7.59 2p75A1 PHE 113 HZ 0.04 -0.16 -0.43 -0.04 7.32 6.74 2p75A1 GLN 114 H -0.04 0.62 -0.08 -0.55 8.47 8.42 2p75A1 GLN 114 HA -0.85 0.03 0.41 -0.75 4.36 3.19 2p75A1 GLN 114 HB2 -0.01 0.05 0.18 -0.04 2.15 2.33 2p75A1 GLN 114 HB3 -0.02 0.02 0.00 -0.04 2.02 1.98 2p75A1 GLN 114 HG2 0.02 0.03 0.04 -0.04 2.40 2.46 2p75A1 GLN 114 HG3 -0.01 -0.05 0.06 -0.04 2.39 2.36 2p75A1 GLN 114 HE21 0.27 0.05 0.01 -0.04 6.97 7.26 2p75A1 GLN 114 HE22 0.49 0.04 0.02 -0.04 7.69 8.19 2p75A1 GLU 115 H -0.05 0.46 -0.18 -0.55 8.60 8.28 2p75A1 GLU 115 HA 0.08 0.03 0.36 -0.75 4.29 4.01 2p75A1 GLU 115 HB2 0.05 0.04 0.13 -0.04 2.09 2.27 2p75A1 GLU 115 HB3 0.02 0.06 0.14 -0.04 1.99 2.17 2p75A1 GLU 115 HG2 0.05 -0.04 -0.02 -0.04 2.34 2.29 2p75A1 GLU 115 HG3 0.05 -0.00 -0.16 -0.04 2.34 2.18 2p75A1 ARG 116 H -0.07 0.50 -0.21 -0.55 8.46 8.13 2p75A1 ARG 116 HA 0.01 -0.02 0.42 -0.75 4.34 3.99 2p75A1 ARG 116 HB2 0.05 -0.07 0.12 -0.04 1.90 1.96 2p75A1 ARG 116 HB3 -0.03 0.13 0.24 -0.04 1.80 2.10 2p75A1 ARG 116 HG2 -0.03 0.19 -0.11 -0.04 1.67 1.68 2p75A1 ARG 116 HG3 0.02 -0.10 -0.01 -0.04 1.67 1.54 2p75A1 ARG 116 HD2 0.10 -0.06 -0.03 -0.04 3.22 3.19 2p75A1 ARG 116 HD3 0.14 -0.06 -0.01 -0.04 3.22 3.24 2p75A1 VAL 117 H -0.40 0.58 -0.04 -0.55 8.24 7.83 2p75A1 VAL 117 HA -0.18 0.09 0.44 -0.75 4.13 3.73 2p75A1 VAL 117 HB -0.90 0.04 0.17 -0.04 2.12 1.39 2p75A1 VAL 117 HG13 -0.31 -0.01 -0.15 -0.04 0.97 0.46 2p75A1 VAL 117 HG23 -0.73 0.02 0.04 -0.04 0.95 0.23 2p75A1 PHE 118 H -0.41 0.76 0.02 -0.55 8.34 8.15 2p75A1 PHE 118 HA -0.05 0.03 0.41 -0.75 4.62 4.26 2p75A1 PHE 118 HB2 0.08 0.04 0.06 -0.04 3.15 3.30 2p75A1 PHE 118 HB3 0.22 -0.01 0.03 -0.04 3.06 3.25 2p75A1 PHE 118 HD2 -0.04 -0.04 -0.12 -0.04 7.28 7.04 2p75A1 PHE 118 HE2 0.03 -0.03 -0.12 -0.04 7.38 7.22 2p75A1 PHE 118 HZ 0.16 0.14 -0.05 -0.04 7.32 7.52 2p75A1 ARG 119 H 0.09 0.56 -0.25 -0.55 8.46 8.31 2p75A1 ARG 119 HA 0.09 0.03 0.49 -0.75 4.34 4.19 2p75A1 ARG 119 HB2 0.06 0.43 0.24 -0.04 1.90 2.59 2p75A1 ARG 119 HB3 0.05 -0.05 -0.03 -0.04 1.80 1.74 2p75A1 ARG 119 HG2 0.05 -0.03 0.04 -0.04 1.67 1.70 2p75A1 ARG 119 HG3 0.08 -0.02 0.03 -0.04 1.67 1.72 2p75A1 ARG 119 HD2 0.05 0.01 -0.05 -0.04 3.22 3.18 2p75A1 ARG 119 HD3 0.04 -0.04 -0.02 -0.04 3.22 3.16 2p75A1 PHE 120 H 0.12 0.44 -0.23 -0.55 8.34 8.12 2p75A1 PHE 120 HA -0.14 -0.01 0.39 -0.75 4.62 4.10 2p75A1 PHE 120 HB2 -0.12 -0.03 0.08 -0.04 3.15 3.03 2p75A1 PHE 120 HB3 -0.15 0.21 0.13 -0.04 3.06 3.21 2p75A1 PHE 120 HD2 -0.26 0.02 -0.15 -0.04 7.28 6.85 2p75A1 PHE 120 HE2 -0.91 -0.01 -0.13 -0.04 7.38 6.30 2p75A1 PHE 120 HZ -0.66 0.00 -0.12 -0.04 7.32 6.50 2p75A1 LEU 121 H 0.03 0.48 -0.13 -0.55 8.37 8.20 2p75A1 LEU 121 HA -0.26 0.00 0.34 -0.75 4.35 3.67 2p75A1 LEU 121 HB2 -0.16 0.08 0.08 -0.04 1.64 1.59 2p75A1 LEU 121 HB3 -0.60 0.01 -0.03 -0.04 1.64 0.98 2p75A1 LEU 121 HG -0.16 0.22 -0.01 -0.04 1.64 1.65 2p75A1 LEU 121 HD13 -1.16 -0.02 -0.08 -0.04 0.93 -0.37 2p75A1 LEU 121 HD23 -0.14 -0.03 -0.09 -0.04 0.89 0.59 2p75A1 GLU 122 H 0.04 0.41 -0.34 -0.55 8.60 8.17 2p75A1 GLU 122 HA 0.12 0.06 0.37 -0.75 4.29 4.09 2p75A1 GLU 122 HB2 0.14 -0.00 0.10 -0.04 2.09 2.29 2p75A1 GLU 122 HB3 0.04 0.10 0.11 -0.04 1.99 2.20 2p75A1 GLU 122 HG2 0.01 0.01 -0.19 -0.04 2.34 2.12 2p75A1 GLU 122 HG3 0.05 -0.01 0.05 -0.04 2.34 2.39 2p75A1 GLY 123 H -0.21 0.32 -0.44 -0.55 8.43 7.57 2p75A1 GLY 123 HA2 -0.12 0.01 0.43 -0.51 4.01 3.83 2p75A1 GLY 123 HA3 -0.25 -0.06 0.27 -0.51 4.01 3.46 2p75A1 LEU 124 H -0.26 0.41 -0.42 -0.55 8.37 7.54 2p75A1 LEU 124 HA -0.27 -0.07 0.52 -0.75 4.35 3.78 2p75A1 LEU 124 HB2 -0.13 0.19 0.12 -0.04 1.64 1.78 2p75A1 LEU 124 HB3 -0.09 0.02 -0.01 -0.04 1.64 1.51 2p75A1 LEU 124 HG -0.68 0.14 0.00 -0.04 1.64 1.05 2p75A1 LEU 124 HD13 -0.11 -0.02 -0.06 -0.04 0.93 0.69 2p75A1 LEU 124 HD23 -0.63 -0.02 -0.09 -0.04 0.89 0.10 2p75A1 LYS 125 H -0.05 0.07 0.18 -0.55 8.42 8.06 2p75A1 LYS 125 HA -0.01 0.26 0.81 -0.75 4.32 4.63 2p75A1 LYS 125 HB2 0.00 -0.05 0.08 -0.04 1.87 1.86 2p75A1 LYS 125 HB3 0.01 -0.05 0.16 -0.04 1.79 1.87 2p75A1 LYS 125 HG2 -0.05 0.18 -0.02 -0.04 1.46 1.53 2p75A1 LYS 125 HG3 -0.01 -0.10 0.01 -0.04 1.46 1.32 2p75A1 LYS 125 HD2 -0.01 -0.08 -0.03 -0.04 1.69 1.53 2p75A1 LYS 125 HD3 -0.03 0.21 -0.43 -0.04 1.68 1.39 2p75A1 LYS 125 HE2 -0.05 0.08 -0.06 -0.04 2.99 2.92 2p75A1 LYS 125 HE3 -0.02 -0.13 -0.03 -0.04 2.99 2.77 2p75A1 ALA 126 H 0.04 0.24 -0.09 -0.55 8.40 8.04 2p75A1 ALA 126 HA 0.05 0.10 0.51 -0.75 4.34 4.26 2p75A1 ALA 126 HB3 0.07 0.01 -0.01 -0.04 1.41 1.43 2p75A1 PRO 127 HA 0.13 0.32 0.55 -0.51 4.44 4.93 2p75A1 PRO 127 HB2 0.11 -0.05 0.08 -0.04 2.28 2.37 2p75A1 PRO 127 HB3 0.17 0.07 0.14 -0.04 2.02 2.35 2p75A1 PRO 127 HG2 0.09 -0.01 0.11 -0.04 2.03 2.18 2p75A1 PRO 127 HG3 0.09 -0.05 0.15 -0.04 2.03 2.19 2p75A1 PRO 127 HD2 0.07 0.07 0.22 -0.04 3.68 4.00 2p75A1 PRO 127 HD3 0.06 0.12 0.20 -0.04 3.65 3.99 2p75A1 ALA 128 H 0.17 0.32 0.40 -0.55 8.40 8.74 2p75A1 ALA 128 HA 0.10 0.16 0.69 -0.75 4.34 4.52 2p75A1 ALA 128 HB3 0.28 0.01 -0.10 -0.04 1.41 1.56 2p75A1 VAL 129 H -0.02 0.68 0.29 -0.55 8.24 8.64 2p75A1 VAL 129 HA 0.01 0.13 0.98 -0.75 4.13 4.50 2p75A1 VAL 129 HB -0.43 -0.00 0.10 -0.04 2.12 1.75 2p75A1 VAL 129 HG13 -0.73 -0.02 -0.14 -0.04 0.97 0.04 2p75A1 VAL 129 HG23 -0.23 0.01 -0.06 -0.04 0.95 0.63 2p75A1 LEU 130 H -0.10 0.97 0.43 -0.55 8.37 9.12 2p75A1 LEU 130 HA 0.08 0.28 1.11 -0.75 4.35 5.06 2p75A1 LEU 130 HB2 -0.01 -0.08 0.14 -0.04 1.64 1.64 2p75A1 LEU 130 HB3 0.07 -0.04 -0.07 -0.04 1.64 1.56 2p75A1 LEU 130 HG 0.09 0.06 -0.24 -0.04 1.64 1.51 2p75A1 LEU 130 HD13 0.05 -0.01 -0.13 -0.04 0.93 0.81 2p75A1 LEU 130 HD23 0.34 0.03 -0.25 -0.04 0.89 0.97 2p75A1 PHE 131 H 0.18 0.75 0.41 -0.55 8.34 9.13 2p75A1 PHE 131 HA -0.03 0.10 0.81 -0.75 4.62 4.75 2p75A1 PHE 131 HB2 -0.03 -0.02 0.24 -0.04 3.15 3.30 2p75A1 PHE 131 HB3 -0.03 -0.00 0.07 -0.04 3.06 3.05 2p75A1 PHE 131 HD2 -0.09 0.03 -0.10 -0.04 7.28 7.08 2p75A1 PHE 131 HE2 -0.51 0.05 -0.15 -0.04 7.38 6.73 2p75A1 PHE 131 HZ -0.27 0.09 -0.12 -0.04 7.32 6.98 2p75A1 THR 132 H -0.00 0.79 0.36 -0.55 8.28 8.87 2p75A1 THR 132 HA -0.00 0.04 0.86 -0.75 4.39 4.53 2p75A1 THR 132 HB 0.03 0.05 -0.30 -0.04 4.32 4.05 2p75A1 THR 132 HG23 -0.01 0.05 -0.08 -0.04 1.22 1.13 2p75A1 HIS 133 H 0.21 0.22 0.21 -0.55 8.41 8.50 2p75A1 HIS 133 HA -0.06 0.20 1.11 -0.75 4.63 5.13 2p75A1 HIS 133 HB2 0.16 -0.05 0.07 -0.04 3.26 3.41 2p75A1 HIS 133 HB3 0.17 -0.03 0.20 -0.04 3.20 3.50 2p75A1 HIS 133 HD2 0.12 0.46 0.11 -0.04 6.97 7.61 2p75A1 HIS 133 HE1 0.02 -0.04 -0.01 -0.04 7.75 7.67 2p75A1 GLY 134 H 0.01 0.21 0.23 -0.55 8.43 8.33 2p75A1 GLY 134 HA2 -0.00 0.17 0.40 -0.51 4.01 4.06 2p75A1 GLY 134 HA3 0.02 0.12 0.40 -0.51 4.01 4.04 2p75A1 GLY 135 H 0.17 0.05 -0.07 -0.55 8.43 8.03 2p75A1 GLY 135 HA2 0.21 0.16 0.44 -0.51 4.01 4.31 2p75A1 GLY 135 HA3 0.17 -0.03 0.32 -0.51 4.01 3.96 2p75A1 VAL 136 H 0.28 0.09 -0.26 -0.55 8.24 7.80 2p75A1 VAL 136 HA 0.12 0.10 0.48 -0.75 4.13 4.07 2p75A1 VAL 136 HB 0.13 -0.02 0.14 -0.04 2.12 2.32 2p75A1 VAL 136 HG13 -0.07 0.02 -0.12 -0.04 0.97 0.77 2p75A1 VAL 136 HG23 0.23 0.00 -0.10 -0.04 0.95 1.04 2p75A1 VAL 137 H 0.06 0.45 -0.05 -0.55 8.24 8.16 2p75A1 VAL 137 HA -0.02 0.05 0.35 -0.75 4.13 3.75 2p75A1 VAL 137 HB -0.01 0.07 0.08 -0.04 2.12 2.22 2p75A1 VAL 137 HG13 -0.03 0.01 -0.17 -0.04 0.97 0.73 2p75A1 VAL 137 HG23 -0.02 0.02 -0.21 -0.04 0.95 0.70 2p75A1 ARG 138 H 0.02 0.53 -0.14 -0.55 8.46 8.31 2p75A1 ARG 138 HA -0.12 -0.02 0.54 -0.75 4.34 3.99 2p75A1 ARG 138 HB2 -0.08 0.15 0.18 -0.04 1.90 2.12 2p75A1 ARG 138 HB3 -0.15 -0.00 0.15 -0.04 1.80 1.76 2p75A1 ARG 138 HG2 -0.74 -0.00 -0.07 -0.04 1.67 0.81 2p75A1 ARG 138 HG3 -0.24 -0.17 0.03 -0.04 1.67 1.25 2p75A1 ARG 138 HD2 -0.10 -0.02 -0.07 -0.04 3.22 2.98 2p75A1 ARG 138 HD3 -0.17 -0.04 -0.02 -0.04 3.22 2.95 2p75A1 ALA 139 H 0.09 0.45 -0.20 -0.55 8.40 8.20 2p75A1 ALA 139 HA 0.12 0.02 0.39 -0.75 4.34 4.11 2p75A1 ALA 139 HB3 0.11 0.01 0.11 -0.04 1.41 1.60 2p75A1 VAL 140 H 0.04 0.45 -0.26 -0.55 8.24 7.91 2p75A1 VAL 140 HA 0.26 0.04 0.41 -0.75 4.13 4.08 2p75A1 VAL 140 HB -0.03 0.09 0.11 -0.04 2.12 2.25 2p75A1 VAL 140 HG13 -0.01 -0.01 -0.20 -0.04 0.97 0.71 2p75A1 VAL 140 HG23 -0.25 0.02 -0.04 -0.04 0.95 0.64 2p75A1 LEU 141 H 0.01 0.64 -0.04 -0.55 8.37 8.44 2p75A1 LEU 141 HA 0.05 0.00 0.27 -0.75 4.35 3.92 2p75A1 LEU 141 HB2 -0.05 -0.03 0.06 -0.04 1.64 1.58 2p75A1 LEU 141 HB3 -0.02 0.04 -0.37 -0.04 1.64 1.24 2p75A1 LEU 141 HG -0.02 0.12 -0.01 -0.04 1.64 1.68 2p75A1 LEU 141 HD13 -0.04 0.01 -0.17 -0.04 0.93 0.68 2p75A1 LEU 141 HD23 -0.02 -0.02 -0.13 -0.04 0.89 0.69 2p75A1 ARG 142 H -0.04 0.67 -0.11 -0.55 8.46 8.43 2p75A1 ARG 142 HA -0.01 0.13 0.45 -0.75 4.34 4.16 2p75A1 ARG 142 HB2 -0.08 0.07 0.11 -0.04 1.90 1.95 2p75A1 ARG 142 HB3 0.01 -0.04 0.03 -0.04 1.80 1.76 2p75A1 ARG 142 HG2 -0.10 -0.02 0.03 -0.04 1.67 1.54 2p75A1 ARG 142 HG3 -0.24 0.04 0.15 -0.04 1.67 1.58 2p75A1 ARG 142 HD2 -0.42 -0.11 -0.02 -0.04 3.22 2.63 2p75A1 ARG 142 HD3 -0.97 -0.01 -0.05 -0.04 3.22 2.14 2p75A1 ALA 143 H 0.17 0.42 -0.33 -0.55 8.40 8.11 2p75A1 ALA 143 HA 0.09 0.00 0.48 -0.75 4.34 4.16 2p75A1 ALA 143 HB3 0.19 0.02 0.11 -0.04 1.41 1.69 2p75A1 LEU 144 H 0.09 0.31 -0.58 -0.55 8.37 7.64 2p75A1 LEU 144 HA -0.04 0.18 0.66 -0.75 4.35 4.39 2p75A1 LEU 144 HB2 0.06 0.06 0.03 -0.04 1.64 1.74 2p75A1 LEU 144 HB3 0.01 -0.12 0.05 -0.04 1.64 1.53 2p75A1 LEU 144 HG 0.28 0.16 -0.18 -0.04 1.64 1.86 2p75A1 LEU 144 HD13 0.20 -0.07 -0.35 -0.04 0.93 0.66 2p75A1 LEU 144 HD23 -0.16 -0.00 -0.46 -0.04 0.89 0.23 2p75A1 GLY 145 H 0.02 0.38 -0.60 -0.55 8.43 7.68 2p75A1 GLY 145 HA2 0.01 0.02 0.27 -0.51 4.01 3.79 2p75A1 GLY 145 HA3 -0.01 0.01 0.40 -0.51 4.01 3.90 2p75A1 GLU 146 H 0.00 0.60 -0.11 -0.55 8.60 8.55 2p75A1 GLU 146 HA -0.01 0.13 0.91 -0.75 4.29 4.57 2p75A1 GLU 146 HB2 -0.01 0.03 -0.14 -0.04 2.09 1.93 2p75A1 GLU 146 HB3 -0.02 -0.02 -0.06 -0.04 1.99 1.85 2p75A1 GLU 146 HG2 -0.01 -0.00 -0.07 -0.04 2.34 2.21 2p75A1 GLU 146 HG3 -0.01 0.16 -0.40 -0.04 2.34 2.04 2p75A1 ASP 147 H -0.02 0.12 0.08 -0.55 8.40 8.03 2p75A1 ASP 147 HA -0.04 0.06 0.40 -0.75 4.63 4.29 2p75A1 ASP 147 HB2 -0.02 0.04 0.11 -0.04 2.71 2.79 2p75A1 ASP 147 HB3 -0.03 0.01 0.15 -0.04 2.70 2.80 2p75A1 GLY 148 H -0.11 0.16 0.13 -0.55 8.43 8.06 2p75A1 GLY 148 HA2 -0.06 0.18 0.47 -0.51 4.01 4.08 2p75A1 GLY 148 HA3 -0.12 -0.01 0.43 -0.51 4.01 3.80 2p75A1 LEU 149 H -0.06 0.21 -0.55 -0.55 8.37 7.43 2p75A1 LEU 149 HA -0.06 0.12 0.84 -0.75 4.35 4.49 2p75A1 LEU 149 HB2 -0.05 0.01 0.06 -0.04 1.64 1.61 2p75A1 LEU 149 HB3 -0.06 0.01 -0.07 -0.04 1.64 1.48 2p75A1 LEU 149 HG -0.08 -0.07 -0.19 -0.04 1.64 1.26 2p75A1 LEU 149 HD13 -0.06 0.01 -0.04 -0.04 0.93 0.79 2p75A1 LEU 149 HD23 -0.09 0.02 -0.07 -0.04 0.89 0.70 2p75A1 VAL 150 H -0.04 0.22 0.09 -0.55 8.24 7.96 2p75A1 VAL 150 HA -0.03 0.22 0.82 -0.75 4.13 4.39 2p75A1 VAL 150 HB -0.02 0.08 -0.08 -0.04 2.12 2.05 2p75A1 VAL 150 HG13 -0.03 0.00 -0.37 -0.04 0.97 0.53 2p75A1 VAL 150 HG23 -0.03 0.00 -0.17 -0.04 0.95 0.71 2p75A1 PRO 151 HA -0.02 0.04 0.40 -0.51 4.44 4.34 2p75A1 PRO 151 HB2 0.00 0.14 -0.06 -0.04 2.28 2.32 2p75A1 PRO 151 HB3 -0.00 -0.02 0.09 -0.04 2.02 2.04 2p75A1 PRO 151 HG2 0.00 0.04 0.03 -0.04 2.03 2.06 2p75A1 PRO 151 HG3 -0.01 0.02 0.03 -0.04 2.03 2.03 2p75A1 PRO 151 HD2 -0.01 0.12 0.13 -0.04 3.68 3.88 2p75A1 PRO 151 HD3 -0.02 0.16 0.13 -0.04 3.65 3.88 2p75A1 PRO 152 HA -0.04 0.10 0.42 -0.51 4.44 4.41 2p75A1 PRO 152 HB2 0.03 -0.08 0.07 -0.04 2.28 2.26 2p75A1 PRO 152 HB3 0.03 0.06 0.01 -0.04 2.02 2.08 2p75A1 PRO 152 HG2 0.02 -0.05 0.09 -0.04 2.03 2.05 2p75A1 PRO 152 HG3 -0.00 0.04 0.09 -0.04 2.03 2.11 2p75A1 PRO 152 HD2 0.00 0.08 0.19 -0.04 3.68 3.92 2p75A1 PRO 152 HD3 -0.01 0.12 0.20 -0.04 3.65 3.92 2p75A1 GLY 153 H 0.00 0.52 -0.08 -0.55 8.43 8.33 2p75A1 GLY 153 HA2 0.07 0.00 0.23 -0.51 4.01 3.80 2p75A1 GLY 153 HA3 0.05 -0.07 0.38 -0.51 4.01 3.85 2p75A1 SER 154 H 0.01 0.23 -0.13 -0.55 8.46 8.02 2p75A1 SER 154 HA 0.04 0.15 0.91 -0.75 4.49 4.83 2p75A1 SER 154 HB2 0.02 0.26 0.28 -0.04 3.95 4.47 2p75A1 SER 154 HB3 0.01 -0.09 -0.04 -0.04 3.93 3.77 2p75A1 ALA 155 H 0.05 0.65 0.36 -0.55 8.40 8.90 2p75A1 ALA 155 HA 0.01 0.24 1.09 -0.75 4.34 4.93 2p75A1 ALA 155 HB3 0.13 -0.01 -0.11 -0.04 1.41 1.38 2p75A1 VAL 156 H -0.02 0.63 0.40 -0.55 8.24 8.71 2p75A1 VAL 156 HA -0.11 0.18 1.04 -0.75 4.13 4.49 2p75A1 VAL 156 HB -0.06 -0.02 -0.07 -0.04 2.12 1.94 2p75A1 VAL 156 HG13 -0.07 0.01 -0.03 -0.04 0.97 0.84 2p75A1 VAL 156 HG23 -0.10 0.01 -0.02 -0.04 0.95 0.80 2p75A1 ALA 157 H -0.39 0.69 0.45 -0.55 8.40 8.60 2p75A1 ALA 157 HA -0.64 0.35 1.27 -0.75 4.34 4.57 2p75A1 ALA 157 HB3 -1.66 -0.01 0.08 -0.04 1.41 -0.22 2p75A1 VAL 158 H -0.25 0.75 0.47 -0.55 8.24 8.66 2p75A1 VAL 158 HA -0.10 -0.01 1.08 -0.75 4.13 4.35 2p75A1 VAL 158 HB 0.09 0.14 -0.05 -0.04 2.12 2.26 2p75A1 VAL 158 HG13 -0.04 -0.03 -0.30 -0.04 0.97 0.56 2p75A1 VAL 158 HG23 0.08 0.02 -0.04 -0.04 0.95 0.97 2p75A1 ASP 159 H -0.02 0.66 0.22 -0.55 8.40 8.71 2p75A1 ASP 159 HA 0.04 0.26 0.74 -0.75 4.63 4.92 2p75A1 ASP 159 HB2 -0.02 -0.04 0.01 -0.04 2.71 2.63 2p75A1 ASP 159 HB3 -0.02 -0.06 0.19 -0.04 2.70 2.77 2p75A1 TRP 160 H 0.25 0.67 0.03 -0.55 7.97 8.37 2p75A1 TRP 160 HA -0.06 -0.07 0.49 -0.75 4.62 4.23 2p75A1 TRP 160 HB2 -0.03 -0.08 0.02 -0.04 3.23 3.10 2p75A1 TRP 160 HB3 -0.03 0.14 0.08 -0.04 3.23 3.39 2p75A1 TRP 160 HD1 -0.04 0.10 -0.22 -0.04 7.22 7.02 2p75A1 TRP 160 HE1 -0.04 -0.00 -0.12 -0.04 10.20 9.99 2p75A1 TRP 160 HE3 -0.05 -0.03 -0.12 -0.04 7.59 7.34 2p75A1 TRP 160 HZ2 -0.47 -0.04 -0.02 -0.04 7.44 6.86 2p75A1 TRP 160 HZ3 -0.07 0.12 -0.07 -0.04 7.13 7.07 2p75A1 TRP 160 HH2 -0.59 -0.01 -0.03 -0.04 7.19 6.51 2p75A1 PRO 161 HA -1.44 -0.00 0.28 -0.51 4.44 2.77 2p75A1 PRO 161 HB2 -1.17 0.02 0.17 -0.04 2.28 1.27 2p75A1 PRO 161 HB3 -2.21 -0.00 0.05 -0.04 2.02 -0.19 2p75A1 PRO 161 HG2 -0.45 0.01 -0.01 -0.04 2.03 1.54 2p75A1 PRO 161 HG3 -0.48 -0.01 0.04 -0.04 2.03 1.54 2p75A1 PRO 161 HD2 -0.27 0.07 0.23 -0.04 3.68 3.66 2p75A1 PRO 161 HD3 -0.35 0.14 0.08 -0.04 3.65 3.48 2p75A1 ARG 162 H -0.19 0.77 0.34 -0.55 8.46 8.83 2p75A1 ARG 162 HA -0.21 0.22 1.10 -0.75 4.34 4.70 2p75A1 ARG 162 HB2 -0.09 0.07 0.10 -0.04 1.90 1.93 2p75A1 ARG 162 HB3 -0.09 -0.07 -0.01 -0.04 1.80 1.59 2p75A1 ARG 162 HG2 -0.15 -0.01 -0.12 -0.04 1.67 1.35 2p75A1 ARG 162 HG3 -0.16 0.04 -0.24 -0.04 1.67 1.26 2p75A1 ARG 162 HD2 -0.08 -0.01 -0.07 -0.04 3.22 3.01 2p75A1 ARG 162 HD3 -0.07 0.02 -0.07 -0.04 3.22 3.06 2p75A1 ARG 163 H -0.05 0.43 0.25 -0.55 8.46 8.54 2p75A1 ARG 163 HA -0.04 0.17 0.56 -0.75 4.34 4.27 2p75A1 ARG 163 HB2 -0.04 0.03 0.12 -0.04 1.90 1.97 2p75A1 ARG 163 HB3 -0.05 0.15 -0.16 -0.04 1.80 1.69 2p75A1 ARG 163 HG2 -0.05 -0.05 -0.15 -0.04 1.67 1.39 2p75A1 ARG 163 HG3 -0.04 -0.11 -0.24 -0.04 1.67 1.24 2p75A1 ARG 163 HD2 -0.03 -0.01 -0.05 -0.04 3.22 3.08 2p75A1 ARG 163 HD3 -0.03 -0.06 -0.08 -0.04 3.22 3.01 2p75A1 VAL 164 H -0.03 0.21 0.16 -0.55 8.24 8.04 2p75A1 VAL 164 HA -0.04 0.06 0.73 -0.75 4.13 4.12 2p75A1 VAL 164 HB -0.04 0.01 0.05 -0.04 2.12 2.11 2p75A1 VAL 164 HG13 -0.07 -0.00 -0.14 -0.04 0.97 0.71 2p75A1 VAL 164 HG23 -0.01 0.02 -0.05 -0.04 0.95 0.87 2p75A1 LEU 165 H -0.14 0.74 0.45 -0.55 8.37 8.88 2p75A1 LEU 165 HA -0.08 0.17 0.84 -0.75 4.35 4.53 2p75A1 LEU 165 HB2 -0.26 -0.00 -0.07 -0.04 1.64 1.26 2p75A1 LEU 165 HB3 -0.13 -0.02 -0.07 -0.04 1.64 1.39 2p75A1 LEU 165 HG -0.09 -0.11 -0.27 -0.04 1.64 1.13 2p75A1 LEU 165 HD13 -0.11 0.00 -0.26 -0.04 0.93 0.52 2p75A1 LEU 165 HD23 -0.04 0.02 -0.12 -0.04 0.89 0.70 2p75A1 VAL 166 H -0.22 0.37 0.33 -0.55 8.24 8.17 2p75A1 VAL 166 HA -0.08 0.12 0.54 -0.75 4.13 3.96 2p75A1 VAL 166 HB -0.08 0.15 -0.16 -0.04 2.12 1.99 2p75A1 VAL 166 HG13 -0.30 -0.03 -0.10 -0.04 0.97 0.51 2p75A1 VAL 166 HG23 -0.01 0.00 -0.11 -0.04 0.95 0.79 2p75A1 ARG 167 H -0.05 0.24 0.15 -0.55 8.46 8.25 2p75A1 ARG 167 HA -0.06 0.17 1.09 -0.75 4.34 4.78 2p75A1 ARG 167 HB2 -0.03 -0.03 0.17 -0.04 1.90 1.97 2p75A1 ARG 167 HB3 -0.02 0.06 0.03 -0.04 1.80 1.82 2p75A1 ARG 167 HG2 -0.05 0.02 -0.08 -0.04 1.67 1.52 2p75A1 ARG 167 HG3 -0.04 -0.04 -0.11 -0.04 1.67 1.43 2p75A1 ARG 167 HD2 -0.03 -0.02 -0.03 -0.04 3.22 3.11 2p75A1 ARG 167 HD3 -0.03 0.03 -0.07 -0.04 3.22 3.10 2p75A1 LEU 168 H 0.01 0.77 0.30 -0.55 8.37 8.91 2p75A1 LEU 168 HA 0.04 0.14 1.00 -0.75 4.35 4.78 2p75A1 LEU 168 HB2 0.14 -0.02 -0.11 -0.04 1.64 1.61 2p75A1 LEU 168 HB3 0.14 -0.03 0.04 -0.04 1.64 1.75 2p75A1 LEU 168 HG 0.09 -0.02 -0.33 -0.04 1.64 1.34 2p75A1 LEU 168 HD13 0.08 -0.02 -0.01 -0.04 0.93 0.94 2p75A1 LEU 168 HD23 0.19 0.00 -0.12 -0.04 0.89 0.92 2p75A1 ALA 169 H 0.04 0.28 0.20 -0.55 8.40 8.37 2p75A1 ALA 169 HA 0.03 0.13 0.84 -0.75 4.34 4.59 2p75A1 ALA 169 HB3 0.01 0.01 -0.04 -0.04 1.41 1.36 2p75A1 LEU 170 H 0.03 0.25 0.14 -0.55 8.37 8.24 2p75A1 LEU 170 HA 0.03 0.15 0.89 -0.75 4.35 4.66 2p75A1 LEU 170 HB2 0.04 0.05 0.02 -0.04 1.64 1.71 2p75A1 LEU 170 HB3 0.03 0.03 0.03 -0.04 1.64 1.70 2p75A1 LEU 170 HG 0.05 -0.14 -0.36 -0.04 1.64 1.16 2p75A1 LEU 170 HD13 0.05 0.01 -0.08 -0.04 0.93 0.87 2p75A1 LEU 170 HD23 0.04 0.02 -0.00 -0.04 0.89 0.91 2p75A1 ASP 171 H 0.02 0.23 0.05 -0.55 8.40 8.15 2p75A1 ASP 171 HA 0.02 0.26 0.75 -0.75 4.63 4.90 2p75A1 ASP 171 HB2 0.01 0.01 0.05 -0.04 2.71 2.75 2p75A1 ASP 171 HB3 0.01 -0.01 0.05 -0.04 2.70 2.72