============================================================================= 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. TYR 12 0.840 -1.040 6.218 -13.377 -99.200 -91.000 HIS 22 0.900 14.372 12.452 -3.531 -99.200 -91.000 HIS 23 0.900 5.049 9.098 -4.266 -99.200 -91.000 TRP 26 1.040 9.374 8.432 -0.330 -99.200 -91.000 TRP6 26 1.020 10.839 7.854 1.421 -99.200 -91.000 TYR 40 0.840 3.801 -13.433 7.550 -99.200 -91.000 TRP 53 1.040 21.896 1.234 -11.306 -99.200 -91.000 TRP6 53 1.020 20.656 -0.585 -12.156 -99.200 -91.000 TYR 95 0.840 18.816 -10.688 -7.712 -99.200 -91.000 HIS 97 0.900 17.236 -14.852 -0.979 -99.200 -91.000 TYR 103 0.840 12.066 -19.286 -7.145 -99.200 -91.000 HIS 104 0.900 18.151 -11.851 -11.630 -99.200 -91.000 TYR 107 0.840 10.573 -7.388 -14.422 -99.200 -91.000 PHE 114 1.000 16.454 -12.859 -17.474 -99.200 -91.000 PHE 131 1.000 13.842 2.191 -7.868 -99.200 -91.000 PHE 138 1.000 11.833 10.090 -12.975 -99.200 -91.000 TYR 144 0.840 17.326 8.503 -5.950 -99.200 -91.000 TYR 146 0.840 22.736 9.914 3.749 -99.200 -91.000 PHE 158 1.000 8.468 8.518 17.358 -99.200 -91.000 TYR 181 0.840 17.578 6.468 11.580 -99.200 -91.000 HIS 182 0.900 15.810 -2.643 16.470 -99.200 -91.000 TYR 183 0.840 13.063 5.516 17.233 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3g75B1 GLY 24 HA2 -0.02 -0.07 0.16 -0.51 4.01 3.57 3g75B1 GLY 24 HA3 -0.02 0.04 0.19 -0.51 4.01 3.71 3g75B1 LEU 25 H -0.04 0.29 0.12 -0.55 8.37 8.19 3g75B1 LEU 25 HA -0.10 0.10 0.44 -0.75 4.35 4.04 3g75B1 LEU 25 HB2 -0.05 -0.00 0.08 -0.04 1.64 1.63 3g75B1 LEU 25 HB3 -0.07 0.01 0.04 -0.04 1.64 1.59 3g75B1 LEU 25 HG -0.07 0.08 -0.00 -0.04 1.64 1.61 3g75B1 LEU 25 HD13 -0.11 -0.01 -0.15 -0.04 0.93 0.61 3g75B1 LEU 25 HD23 -0.05 0.07 0.09 -0.04 0.89 0.95 3g75B1 GLU 26 H -0.03 0.14 -0.10 -0.55 8.60 8.06 3g75B1 GLU 26 HA -0.02 0.12 0.47 -0.75 4.29 4.10 3g75B1 ALA 27 H -0.01 0.16 -0.40 -0.55 8.40 7.60 3g75B1 ALA 27 HA 0.04 0.03 0.29 -0.75 4.34 3.95 3g75B1 ALA 27 HB3 0.06 0.07 0.03 -0.04 1.41 1.53 3g75B1 VAL 28 H -0.08 0.25 -0.54 -0.55 8.24 7.32 3g75B1 VAL 28 HA -0.12 0.06 0.34 -0.75 4.13 3.67 3g75B1 VAL 28 HB -0.17 0.15 0.06 -0.04 2.12 2.12 3g75B1 VAL 28 HG13 -0.29 -0.02 -0.09 -0.04 0.97 0.53 3g75B1 VAL 28 HG23 -0.53 0.05 -0.04 -0.04 0.95 0.39 3g75B1 ARG 29 H -0.05 0.43 -0.14 -0.55 8.46 8.15 3g75B1 ARG 29 HA -0.05 0.05 0.41 -0.75 4.34 4.00 3g75B1 ARG 29 HB2 -0.03 0.04 0.08 -0.04 1.90 1.95 3g75B1 ARG 29 HB3 -0.04 -0.05 0.09 -0.04 1.80 1.76 3g75B1 ARG 29 HG2 -0.05 -0.03 -0.09 -0.04 1.67 1.46 3g75B1 ARG 29 HG3 -0.06 0.09 -0.01 -0.04 1.67 1.65 3g75B1 ARG 29 HD2 -0.04 0.12 0.02 -0.04 3.22 3.28 3g75B1 ARG 29 HD3 -0.03 -0.06 -0.02 -0.04 3.22 3.07 3g75B1 LYS 30 H 0.01 0.15 -0.70 -0.55 8.42 7.33 3g75B1 LYS 30 HA -0.01 0.13 0.67 -0.75 4.32 4.35 3g75B1 LYS 30 HB2 0.03 0.07 0.04 -0.04 1.87 1.96 3g75B1 LYS 30 HB3 0.01 -0.07 -0.02 -0.04 1.79 1.66 3g75B1 LYS 30 HG2 -0.00 -0.06 -0.05 -0.04 1.46 1.30 3g75B1 LYS 30 HG3 -0.00 0.22 -0.04 -0.04 1.46 1.60 3g75B1 LYS 30 HD2 0.01 -0.04 -0.21 -0.04 1.69 1.41 3g75B1 LYS 30 HD3 0.00 -0.05 -0.08 -0.04 1.68 1.51 3g75B1 LYS 30 HE2 -0.00 -0.00 -0.08 -0.04 2.99 2.86 3g75B1 LYS 30 HE3 -0.00 -0.15 -0.29 -0.04 2.99 2.51 3g75B1 ARG 31 H 0.07 0.32 -0.16 -0.55 8.46 8.14 3g75B1 ARG 31 HA 0.01 0.15 0.73 -0.75 4.34 4.48 3g75B1 ARG 31 HB2 0.04 0.09 0.14 -0.04 1.90 2.13 3g75B1 ARG 31 HB3 -0.00 -0.14 0.15 -0.04 1.80 1.77 3g75B1 ARG 31 HG2 -0.01 -0.04 0.03 -0.04 1.67 1.61 3g75B1 ARG 31 HG3 0.01 0.19 -0.45 -0.04 1.67 1.38 3g75B1 ARG 31 HD2 -0.00 0.01 -0.05 -0.04 3.22 3.13 3g75B1 ARG 31 HD3 0.01 0.02 -0.06 -0.04 3.22 3.15 3g75B1 PRO 32 HA 0.14 0.16 0.43 -0.51 4.44 4.67 3g75B1 PRO 32 HB2 -0.04 -0.01 -0.13 -0.04 2.28 2.06 3g75B1 PRO 32 HB3 -0.04 0.18 0.04 -0.04 2.02 2.15 3g75B1 PRO 32 HG2 -0.06 -0.14 -0.01 -0.04 2.03 1.78 3g75B1 PRO 32 HG3 -0.10 0.16 -0.03 -0.04 2.03 2.02 3g75B1 PRO 32 HD2 -0.02 0.12 -0.07 -0.04 3.68 3.67 3g75B1 PRO 32 HD3 -0.01 0.25 -0.53 -0.04 3.65 3.31 3g75B1 GLY 33 H -0.00 0.23 -0.12 -0.55 8.43 7.99 3g75B1 GLY 33 HA2 0.00 -0.02 0.39 -0.51 4.01 3.87 3g75B1 GLY 33 HA3 -0.01 0.06 0.28 -0.51 4.01 3.83 3g75B1 MET 34 H -0.00 0.27 -0.63 -0.55 8.47 7.56 3g75B1 MET 34 HA -0.10 0.03 0.37 -0.75 4.52 4.06 3g75B1 MET 34 HB2 -0.18 0.36 0.18 -0.04 2.15 2.48 3g75B1 MET 34 HB3 -0.39 -0.01 -0.02 -0.04 2.03 1.57 3g75B1 MET 34 HG2 -0.06 -0.14 0.01 -0.04 2.63 2.39 3g75B1 MET 34 HG3 -0.09 0.03 0.06 -0.04 2.56 2.52 3g75B1 MET 34 HE3 -0.17 0.01 -0.00 -0.04 2.10 1.90 3g75B1 TYR 35 H 0.16 0.26 -0.04 -0.55 8.29 8.11 3g75B1 TYR 35 HA 0.01 0.13 0.68 -0.75 4.56 4.62 3g75B1 TYR 35 HB2 0.01 0.04 0.11 -0.04 3.06 3.18 3g75B1 TYR 35 HB3 0.02 -0.05 0.01 -0.04 2.98 2.92 3g75B1 TYR 35 HD2 -0.00 0.05 0.03 -0.04 7.15 7.19 3g75B1 TYR 35 HE2 -0.01 0.06 -0.11 -0.04 6.85 6.76 3g75B1 ILE 36 H 0.11 0.85 0.16 -0.55 8.25 8.83 3g75B1 ILE 36 HA 0.08 0.11 0.54 -0.75 4.18 4.16 3g75B1 ILE 36 HB 0.12 -0.07 -0.08 -0.04 1.89 1.82 3g75B1 ILE 36 HG12 0.14 0.05 -0.05 -0.04 1.49 1.59 3g75B1 ILE 36 HG13 0.21 -0.04 -0.03 -0.04 1.21 1.31 3g75B1 ILE 36 HG23 0.05 0.08 -0.78 -0.04 0.93 0.24 3g75B1 ILE 36 HD13 0.26 0.00 -0.16 -0.04 0.88 0.94 3g75B1 GLY 37 H 0.01 0.11 0.00 -0.55 8.43 8.01 3g75B1 GLY 37 HA2 -0.02 0.04 0.49 -0.51 4.01 4.01 3g75B1 GLY 37 HA3 -0.04 0.07 0.59 -0.51 4.01 4.12 3g75B1 SER 38 H -0.00 0.02 0.12 -0.55 8.46 8.05 3g75B1 SER 38 HA -0.01 0.01 0.37 -0.75 4.49 4.11 3g75B1 SER 38 HB2 0.02 -0.08 0.11 -0.04 3.95 3.97 3g75B1 SER 38 HB3 0.01 0.06 0.02 -0.04 3.93 3.98 3g75B1 THR 39 H -0.03 0.16 0.06 -0.55 8.28 7.92 3g75B1 THR 39 HA 0.06 0.21 0.77 -0.75 4.39 4.68 3g75B1 THR 39 HB -0.54 0.10 0.22 -0.04 4.32 4.06 3g75B1 THR 39 HG23 -0.31 -0.01 -0.06 -0.04 1.22 0.80 3g75B1 SER 40 H 0.08 0.04 -0.40 -0.55 8.46 7.64 3g75B1 SER 40 HA 0.08 0.28 0.66 -0.75 4.49 4.75 3g75B1 SER 40 HB2 0.05 -0.08 0.22 -0.04 3.95 4.11 3g75B1 SER 40 HB3 0.04 0.07 0.09 -0.04 3.93 4.08 3g75B1 GLU 41 H 0.07 0.17 0.14 -0.55 8.60 8.44 3g75B1 GLU 41 HA 0.05 0.16 0.45 -0.75 4.29 4.19 3g75B1 GLU 41 HB2 0.07 0.04 0.11 -0.04 2.09 2.28 3g75B1 GLU 41 HB3 0.09 -0.01 0.08 -0.04 1.99 2.12 3g75B1 GLU 41 HG2 0.14 0.01 -0.05 -0.04 2.34 2.40 3g75B1 GLU 41 HG3 0.29 -0.02 0.06 -0.04 2.34 2.62 3g75B1 ARG 42 H 0.11 0.02 -0.21 -0.55 8.46 7.83 3g75B1 ARG 42 HA 0.20 0.08 0.44 -0.75 4.34 4.31 3g75B1 ARG 42 HB2 0.09 -0.05 0.07 -0.04 1.90 1.96 3g75B1 ARG 42 HB3 0.08 0.07 0.04 -0.04 1.80 1.95 3g75B1 ARG 42 HG2 0.05 0.02 -0.02 -0.04 1.67 1.68 3g75B1 ARG 42 HG3 0.09 0.10 -0.09 -0.04 1.67 1.73 3g75B1 ARG 42 HD2 0.15 -0.02 0.06 -0.04 3.22 3.36 3g75B1 ARG 42 HD3 0.09 -0.06 0.01 -0.04 3.22 3.22 3g75B1 GLY 43 H 0.15 0.00 -0.31 -0.55 8.43 7.72 3g75B1 GLY 43 HA2 0.18 0.18 0.35 -0.51 4.01 4.21 3g75B1 GLY 43 HA3 0.20 0.29 0.24 -0.51 4.01 4.23 3g75B1 LEU 44 H 0.10 0.40 -0.16 -0.55 8.37 8.17 3g75B1 LEU 44 HA -0.37 0.06 0.38 -0.75 4.35 3.67 3g75B1 LEU 44 HB2 -0.36 0.16 0.05 -0.04 1.64 1.45 3g75B1 LEU 44 HB3 -0.36 -0.01 -0.00 -0.04 1.64 1.22 3g75B1 LEU 44 HG -0.66 -0.07 -0.24 -0.04 1.64 0.63 3g75B1 LEU 44 HD13 -0.83 0.03 0.03 -0.04 0.93 0.13 3g75B1 LEU 44 HD23 -0.93 0.02 -0.30 -0.04 0.89 -0.36 3g75B1 HIS 45 H 0.11 0.30 -0.41 -0.55 8.41 7.86 3g75B1 HIS 45 HA 0.09 0.03 0.48 -0.75 4.63 4.47 3g75B1 HIS 45 HB2 0.26 0.19 0.08 -0.04 3.26 3.75 3g75B1 HIS 45 HB3 0.28 -0.05 -0.03 -0.04 3.20 3.37 3g75B1 HIS 45 HD2 0.17 -0.02 -0.01 -0.04 6.97 7.07 3g75B1 HIS 45 HE1 0.06 0.01 0.06 -0.04 7.75 7.83 3g75B1 HIS 46 H 0.36 0.39 -0.15 -0.55 8.41 8.47 3g75B1 HIS 46 HA 0.67 -0.04 0.40 -0.75 4.63 4.90 3g75B1 HIS 46 HB2 0.25 0.13 0.19 -0.04 3.26 3.79 3g75B1 HIS 46 HB3 0.17 0.18 0.14 -0.04 3.20 3.65 3g75B1 HIS 46 HD2 0.12 -0.01 -0.09 -0.04 6.97 6.94 3g75B1 HIS 46 HE1 0.10 -0.02 -0.01 -0.04 7.75 7.77 3g75B1 LEU 47 H 0.12 0.44 -0.43 -0.55 8.37 7.96 3g75B1 LEU 47 HA -0.03 -0.00 0.38 -0.75 4.35 3.94 3g75B1 LEU 47 HB2 0.09 0.20 0.10 -0.04 1.64 1.99 3g75B1 LEU 47 HB3 -0.15 -0.09 -0.02 -0.04 1.64 1.33 3g75B1 LEU 47 HG 0.08 0.20 0.04 -0.04 1.64 1.92 3g75B1 LEU 47 HD13 -0.07 0.01 0.03 -0.04 0.93 0.86 3g75B1 LEU 47 HD23 0.04 -0.03 -0.07 -0.04 0.89 0.79 3g75B1 VAL 48 H -0.16 0.37 -0.26 -0.55 8.24 7.64 3g75B1 VAL 48 HA -0.04 -0.01 0.30 -0.75 4.13 3.63 3g75B1 VAL 48 HB -1.06 0.20 0.14 -0.04 2.12 1.36 3g75B1 VAL 48 HG13 -0.54 -0.03 -0.06 -0.04 0.97 0.29 3g75B1 VAL 48 HG23 -0.25 0.01 0.07 -0.04 0.95 0.74 3g75B1 TRP 49 H -0.53 0.37 -0.22 -0.55 7.97 7.04 3g75B1 TRP 49 HA -0.03 -0.03 0.39 -0.75 4.62 4.20 3g75B1 TRP 49 HB2 -0.28 0.18 0.10 -0.04 3.23 3.19 3g75B1 TRP 49 HB3 -0.09 -0.03 0.06 -0.04 3.23 3.12 3g75B1 TRP 49 HD1 0.08 -0.01 -0.06 -0.04 7.22 7.19 3g75B1 TRP 49 HE1 0.11 -0.05 -0.18 -0.04 10.20 10.03 3g75B1 TRP 49 HE3 -0.02 -0.04 -0.05 -0.04 7.59 7.45 3g75B1 TRP 49 HZ2 -0.02 0.00 -0.06 -0.04 7.44 7.32 3g75B1 TRP 49 HZ3 -0.02 0.01 -0.12 -0.04 7.13 6.95 3g75B1 TRP 49 HH2 -0.04 0.04 0.04 -0.04 7.19 7.19 3g75B1 GLU 50 H -0.07 0.51 -0.29 -0.55 8.60 8.21 3g75B1 GLU 50 HA -0.00 0.06 0.45 -0.75 4.29 4.05 3g75B1 GLU 50 HB2 -0.09 0.18 0.15 -0.04 2.09 2.29 3g75B1 GLU 50 HB3 -0.05 -0.10 0.03 -0.04 1.99 1.83 3g75B1 GLU 50 HG2 -0.21 0.11 0.01 -0.04 2.34 2.21 3g75B1 GLU 50 HG3 0.01 -0.04 -0.01 -0.04 2.34 2.27 3g75B1 ILE 51 H -0.04 0.36 -0.21 -0.55 8.25 7.81 3g75B1 ILE 51 HA -0.01 0.11 0.75 -0.75 4.18 4.28 3g75B1 ILE 51 HB 0.03 0.10 0.08 -0.04 1.89 2.06 3g75B1 ILE 51 HG12 -0.12 0.13 0.02 -0.04 1.49 1.47 3g75B1 ILE 51 HG13 0.11 -0.01 -0.04 -0.04 1.21 1.23 3g75B1 ILE 51 HG23 0.06 -0.02 -0.05 -0.04 0.93 0.87 3g75B1 ILE 51 HD13 -0.13 -0.01 -0.07 -0.04 0.88 0.62 3g75B1 VAL 52 H 0.04 0.51 -0.01 -0.55 8.24 8.24 3g75B1 VAL 52 HA 0.06 0.00 0.27 -0.75 4.13 3.71 3g75B1 VAL 52 HB 0.24 0.06 0.12 -0.04 2.12 2.50 3g75B1 VAL 52 HG13 0.18 -0.01 -0.15 -0.04 0.97 0.95 3g75B1 VAL 52 HG23 -0.01 0.03 -0.01 -0.04 0.95 0.92 3g75B1 ASP 53 H 0.11 0.66 -0.10 -0.55 8.40 8.53 3g75B1 ASP 53 HA 0.07 0.02 0.39 -0.75 4.63 4.36 3g75B1 ASP 53 HB2 0.05 0.08 0.06 -0.04 2.71 2.86 3g75B1 ASP 53 HB3 0.04 -0.03 -0.01 -0.04 2.70 2.65 3g75B1 ASN 54 H 0.04 0.28 -0.61 -0.55 8.53 7.70 3g75B1 ASN 54 HA 0.03 0.05 0.42 -0.75 4.76 4.50 3g75B1 ASN 54 HB2 0.02 0.19 0.14 -0.04 2.88 3.20 3g75B1 ASN 54 HB3 0.02 -0.08 -0.00 -0.04 2.79 2.69 3g75B1 ASN 54 HD21 -0.01 -0.03 0.06 -0.04 7.03 7.01 3g75B1 ASN 54 HD22 -0.00 -0.08 0.09 -0.04 7.74 7.70 3g75B1 SER 55 H 0.04 0.42 -0.11 -0.55 8.46 8.27 3g75B1 SER 55 HA 0.04 -0.06 0.42 -0.75 4.49 4.14 3g75B1 SER 55 HB2 0.05 0.19 0.06 -0.04 3.95 4.21 3g75B1 SER 55 HB3 0.04 -0.06 0.01 -0.04 3.93 3.88 3g75B1 ILE 56 H 0.05 0.39 -0.44 -0.55 8.25 7.70 3g75B1 ILE 56 HA 0.03 0.04 0.37 -0.75 4.18 3.87 3g75B1 ILE 56 HB 0.04 0.13 0.10 -0.04 1.89 2.11 3g75B1 ILE 56 HG12 0.05 -0.04 -0.09 -0.04 1.49 1.37 3g75B1 ILE 56 HG13 0.06 0.39 0.03 -0.04 1.21 1.65 3g75B1 ILE 56 HG23 0.02 -0.00 -0.07 -0.04 0.93 0.84 3g75B1 ILE 56 HD13 0.06 -0.03 -0.12 -0.04 0.88 0.76 3g75B1 ASP 57 H 0.04 0.48 -0.08 -0.55 8.40 8.29 3g75B1 ASP 57 HA 0.03 0.05 0.43 -0.75 4.63 4.38 3g75B1 ASP 57 HB2 0.04 0.11 0.15 -0.04 2.71 2.96 3g75B1 ASP 57 HB3 0.04 -0.03 0.01 -0.04 2.70 2.68 3g75B1 GLU 58 H 0.05 0.40 -0.24 -0.55 8.60 8.27 3g75B1 GLU 58 HA 0.12 0.04 0.42 -0.75 4.29 4.11 3g75B1 GLU 58 HB2 0.06 0.21 0.17 -0.04 2.09 2.49 3g75B1 GLU 58 HB3 0.09 -0.13 0.02 -0.04 1.99 1.93 3g75B1 GLU 58 HG2 0.05 0.11 0.03 -0.04 2.34 2.49 3g75B1 GLU 58 HG3 0.05 -0.13 0.03 -0.04 2.34 2.25 3g75B1 ALA 59 H 0.04 0.37 -0.29 -0.55 8.40 7.97 3g75B1 ALA 59 HA 0.03 0.06 0.56 -0.75 4.34 4.24 3g75B1 ALA 59 HB3 0.02 0.03 0.06 -0.04 1.41 1.48 3g75B1 LEU 60 H 0.02 0.61 0.06 -0.55 8.37 8.51 3g75B1 LEU 60 HA -0.01 0.05 0.36 -0.75 4.35 4.00 3g75B1 LEU 60 HB2 0.01 0.03 0.13 -0.04 1.64 1.77 3g75B1 LEU 60 HB3 -0.00 -0.03 0.06 -0.04 1.64 1.63 3g75B1 LEU 60 HG 0.01 0.10 0.05 -0.04 1.64 1.75 3g75B1 LEU 60 HD13 0.00 -0.03 -0.04 -0.04 0.93 0.83 3g75B1 LEU 60 HD23 -0.01 -0.00 0.00 -0.04 0.89 0.84 3g75B1 ALA 61 H 0.03 0.54 -0.33 -0.55 8.40 8.09 3g75B1 ALA 61 HA -0.00 0.01 0.51 -0.75 4.34 4.10 3g75B1 ALA 61 HB3 0.18 -0.01 0.10 -0.04 1.41 1.63 3g75B1 GLY 62 H -0.07 0.52 -0.39 -0.55 8.43 7.94 3g75B1 GLY 62 HA2 -0.14 0.07 0.28 -0.51 4.01 3.72 3g75B1 GLY 62 HA3 -0.29 0.08 0.65 -0.51 4.01 3.94 3g75B1 TYR 63 H -0.02 0.31 0.17 -0.55 8.29 8.21 3g75B1 TYR 63 HA 0.01 0.23 1.00 -0.75 4.56 5.04 3g75B1 TYR 63 HB2 0.01 -0.08 0.10 -0.04 3.06 3.05 3g75B1 TYR 63 HB3 0.02 -0.04 -0.03 -0.04 2.98 2.88 3g75B1 TYR 63 HD2 0.01 -0.01 -0.04 -0.04 7.15 7.07 3g75B1 TYR 63 HE2 0.01 -0.02 -0.04 -0.04 6.85 6.76 3g75B1 ALA 64 H 0.10 0.17 -0.02 -0.55 8.40 8.10 3g75B1 ALA 64 HA 0.06 0.32 0.65 -0.75 4.34 4.62 3g75B1 ALA 64 HB3 0.05 -0.07 -0.07 -0.04 1.41 1.28 3g75B1 ASN 65 H 0.02 0.05 0.20 -0.55 8.53 8.25 3g75B1 ASN 65 HA 0.00 0.14 0.37 -0.75 4.76 4.52 3g75B1 ASN 65 HB2 -0.01 0.10 0.26 -0.04 2.88 3.19 3g75B1 ASN 65 HB3 0.01 0.14 -0.04 -0.04 2.79 2.85 3g75B1 ASN 65 HD21 0.02 -0.03 -0.01 -0.04 7.03 6.96 3g75B1 ASN 65 HD22 0.02 0.04 -0.00 -0.04 7.74 7.76 3g75B1 GLN 66 H 0.00 0.03 0.25 -0.55 8.47 8.20 3g75B1 GLN 66 HA -0.04 0.35 0.91 -0.75 4.36 4.82 3g75B1 GLN 66 HB2 -0.01 -0.09 0.07 -0.04 2.15 2.07 3g75B1 GLN 66 HB3 -0.03 0.03 0.06 -0.04 2.02 2.04 3g75B1 GLN 66 HG2 -0.06 0.14 -0.01 -0.04 2.40 2.43 3g75B1 GLN 66 HG3 -0.02 -0.18 -0.68 -0.04 2.39 1.46 3g75B1 GLN 66 HE21 -0.00 -0.01 -0.02 -0.04 6.97 6.90 3g75B1 GLN 66 HE22 -0.00 0.05 -0.04 -0.04 7.69 7.66 3g75B1 ILE 67 H -0.00 0.50 0.33 -0.55 8.25 8.52 3g75B1 ILE 67 HA 0.01 0.39 1.15 -0.75 4.18 4.97 3g75B1 ILE 67 HB 0.03 -0.00 0.07 -0.04 1.89 1.95 3g75B1 ILE 67 HG12 0.03 0.02 -0.05 -0.04 1.49 1.45 3g75B1 ILE 67 HG13 0.02 -0.12 -0.68 -0.04 1.21 0.38 3g75B1 ILE 67 HG23 0.03 -0.01 -0.11 -0.04 0.93 0.80 3g75B1 ILE 67 HD13 0.04 0.02 -0.23 -0.04 0.88 0.67 3g75B1 GLU 68 H 0.01 0.53 0.44 -0.55 8.60 9.03 3g75B1 GLU 68 HA 0.02 0.23 1.24 -0.75 4.29 5.02 3g75B1 GLU 68 HB2 -0.00 0.00 -0.06 -0.04 2.09 1.98 3g75B1 GLU 68 HB3 -0.01 -0.04 0.11 -0.04 1.99 2.02 3g75B1 GLU 68 HG2 -0.01 -0.01 -0.38 -0.04 2.34 1.90 3g75B1 GLU 68 HG3 0.00 0.05 -0.05 -0.04 2.34 2.30 3g75B1 VAL 69 H 0.00 0.77 0.45 -0.55 8.24 8.91 3g75B1 VAL 69 HA -0.04 0.32 1.13 -0.75 4.13 4.78 3g75B1 VAL 69 HB -0.03 -0.01 0.22 -0.04 2.12 2.26 3g75B1 VAL 69 HG13 -0.14 -0.02 -0.12 -0.04 0.97 0.64 3g75B1 VAL 69 HG23 -0.02 -0.01 -0.11 -0.04 0.95 0.78 3g75B1 VAL 70 H -0.06 0.60 0.39 -0.55 8.24 8.62 3g75B1 VAL 70 HA -0.02 0.27 1.23 -0.75 4.13 4.85 3g75B1 VAL 70 HB -0.03 -0.06 0.08 -0.04 2.12 2.07 3g75B1 VAL 70 HG13 -0.01 0.00 -0.21 -0.04 0.97 0.71 3g75B1 VAL 70 HG23 -0.02 0.02 -0.18 -0.04 0.95 0.74 3g75B1 ILE 71 H -0.01 0.53 0.33 -0.55 8.25 8.55 3g75B1 ILE 71 HA -0.11 0.25 0.98 -0.75 4.18 4.56 3g75B1 ILE 71 HB 0.05 -0.20 0.36 -0.04 1.89 2.06 3g75B1 ILE 71 HG12 -0.19 0.06 -0.01 -0.04 1.49 1.31 3g75B1 ILE 71 HG13 -0.06 0.02 -0.02 -0.04 1.21 1.11 3g75B1 ILE 71 HG23 0.03 0.04 0.04 -0.04 0.93 0.99 3g75B1 ILE 71 HD13 0.07 -0.02 -0.03 -0.04 0.88 0.86 3g75B1 GLU 72 H 0.02 0.43 0.02 -0.55 8.60 8.52 3g75B1 GLU 72 HA 0.01 0.07 0.29 -0.75 4.29 3.90 3g75B1 GLU 72 HB2 0.11 -0.01 -0.05 -0.04 2.09 2.10 3g75B1 GLU 72 HB3 -0.04 -0.00 0.06 -0.04 1.99 1.96 3g75B1 GLU 72 HG2 -0.02 -0.01 -0.18 -0.04 2.34 2.08 3g75B1 GLU 72 HG3 0.00 0.05 -0.21 -0.04 2.34 2.15 3g75B1 LYS 73 H -0.00 0.14 0.09 -0.55 8.42 8.09 3g75B1 LYS 73 HA 0.05 0.03 0.59 -0.75 4.32 4.24 3g75B1 ASP 74 H 0.08 0.14 0.24 -0.55 8.40 8.32 3g75B1 ASP 74 HA 0.10 0.02 0.36 -0.75 4.63 4.35 3g75B1 ASP 74 HB2 0.27 0.20 -0.17 -0.04 2.71 2.98 3g75B1 ASP 74 HB3 0.21 0.02 0.18 -0.04 2.70 3.07 3g75B1 ASN 75 H 0.14 0.31 -0.27 -0.55 8.53 8.17 3g75B1 ASN 75 HA 0.15 0.04 0.33 -0.75 4.76 4.52 3g75B1 ASN 75 HB2 0.04 0.22 -0.15 -0.04 2.88 2.95 3g75B1 ASN 75 HB3 0.09 0.04 0.32 -0.04 2.79 3.20 3g75B1 ASN 75 HD21 0.05 -0.06 -0.00 -0.04 7.03 6.98 3g75B1 ASN 75 HD22 0.04 0.05 -0.19 -0.04 7.74 7.61 3g75B1 TRP 76 H 0.47 0.21 -0.33 -0.55 7.97 7.77 3g75B1 TRP 76 HA -0.12 0.20 0.79 -0.75 4.62 4.73 3g75B1 TRP 76 HB2 -0.06 -0.06 -0.03 -0.04 3.23 3.04 3g75B1 TRP 76 HB3 -0.09 -0.01 -0.03 -0.04 3.23 3.05 3g75B1 TRP 76 HD1 -0.01 0.11 -0.13 -0.04 7.22 7.16 3g75B1 TRP 76 HE1 0.02 -0.00 -0.05 -0.04 10.20 10.13 3g75B1 TRP 76 HE3 -0.00 -0.02 -0.24 -0.04 7.59 7.29 3g75B1 TRP 76 HZ2 0.04 0.02 -0.05 -0.04 7.44 7.41 3g75B1 TRP 76 HZ3 0.09 0.01 -0.26 -0.04 7.13 6.93 3g75B1 TRP 76 HH2 0.07 -0.01 -0.10 -0.04 7.19 7.11 3g75B1 ILE 77 H -0.36 0.50 0.36 -0.55 8.25 8.20 3g75B1 ILE 77 HA -0.23 0.26 0.89 -0.75 4.18 4.35 3g75B1 ILE 77 HB -1.36 -0.01 0.15 -0.04 1.89 0.62 3g75B1 ILE 77 HG12 -0.52 0.07 -0.34 -0.04 1.49 0.66 3g75B1 ILE 77 HG13 -0.82 -0.03 -0.01 -0.04 1.21 0.30 3g75B1 ILE 77 HG23 -0.32 -0.01 -0.06 -0.04 0.93 0.50 3g75B1 ILE 77 HD13 -0.78 0.02 0.10 -0.04 0.88 0.18 3g75B1 LYS 78 H -0.11 0.43 0.34 -0.55 8.42 8.52 3g75B1 LYS 78 HA 0.04 0.46 1.23 -0.75 4.32 5.29 3g75B1 LYS 78 HB2 0.03 -0.04 -0.07 -0.04 1.87 1.75 3g75B1 LYS 78 HB3 -0.01 -0.08 0.15 -0.04 1.79 1.81 3g75B1 LYS 78 HG2 0.01 -0.01 -0.29 -0.04 1.46 1.12 3g75B1 LYS 78 HG3 0.06 0.10 -0.07 -0.04 1.46 1.51 3g75B1 LYS 78 HD2 -0.01 0.01 -0.12 -0.04 1.69 1.52 3g75B1 LYS 78 HD3 0.00 -0.02 -0.10 -0.04 1.68 1.52 3g75B1 LYS 78 HE2 -0.03 -0.04 -0.09 -0.04 2.99 2.79 3g75B1 LYS 78 HE3 -0.02 -0.01 -0.12 -0.04 2.99 2.81 3g75B1 VAL 79 H 0.08 0.58 0.42 -0.55 8.24 8.77 3g75B1 VAL 79 HA 0.01 0.37 1.25 -0.75 4.13 5.01 3g75B1 VAL 79 HB 0.07 -0.05 0.12 -0.04 2.12 2.22 3g75B1 VAL 79 HG13 0.03 0.00 -0.13 -0.04 0.97 0.83 3g75B1 VAL 79 HG23 0.03 -0.01 -0.09 -0.04 0.95 0.84 3g75B1 THR 80 H 0.01 0.49 0.42 -0.55 8.28 8.66 3g75B1 THR 80 HA 0.03 0.32 1.20 -0.75 4.39 5.18 3g75B1 THR 80 HB -0.01 -0.06 0.15 -0.04 4.32 4.36 3g75B1 THR 80 HG23 -0.03 0.01 -0.13 -0.04 1.22 1.03 3g75B1 ASP 81 H 0.02 0.45 0.43 -0.55 8.40 8.74 3g75B1 ASP 81 HA 0.00 0.35 0.78 -0.75 4.63 5.01 3g75B1 ASP 81 HB2 0.03 -0.02 0.29 -0.04 2.71 2.96 3g75B1 ASP 81 HB3 0.03 0.04 0.12 -0.04 2.70 2.85 3g75B1 ASN 82 H 0.01 0.23 0.26 -0.55 8.53 8.48 3g75B1 ASN 82 HA -0.01 0.28 1.10 -0.75 4.76 5.38 3g75B1 ASN 82 HB2 0.00 0.13 0.31 -0.04 2.88 3.27 3g75B1 ASN 82 HB3 -0.01 -0.03 0.08 -0.04 2.79 2.78 3g75B1 ASN 82 HD21 0.01 -0.06 0.07 -0.04 7.03 7.01 3g75B1 ASN 82 HD22 0.00 0.06 0.08 -0.04 7.74 7.84 3g75B1 GLY 83 H 0.04 -0.04 -0.25 -0.55 8.43 7.63 3g75B1 GLY 83 HA2 0.10 0.20 0.37 -0.51 4.01 4.17 3g75B1 GLY 83 HA3 0.06 -0.10 0.31 -0.51 4.01 3.77 3g75B1 ARG 84 H -0.01 0.07 0.07 -0.55 8.46 8.03 3g75B1 ARG 84 HA -0.03 0.20 0.49 -0.75 4.34 4.24 3g75B1 ARG 84 HB2 -0.14 -0.00 0.02 -0.04 1.90 1.73 3g75B1 ARG 84 HB3 -0.15 0.02 0.06 -0.04 1.80 1.69 3g75B1 ARG 84 HG2 -0.41 0.06 -0.03 -0.04 1.67 1.25 3g75B1 ARG 84 HG3 -0.38 -0.09 -0.03 -0.04 1.67 1.13 3g75B1 ARG 84 HD2 -0.47 -0.01 -0.01 -0.04 3.22 2.69 3g75B1 ARG 84 HD3 -1.84 0.06 -0.03 -0.04 3.22 1.37 3g75B1 GLY 85 H 0.01 -0.12 -0.20 -0.55 8.43 7.57 3g75B1 GLY 85 HA2 0.05 -0.07 0.18 -0.51 4.01 3.67 3g75B1 GLY 85 HA3 0.06 0.26 0.61 -0.51 4.01 4.43 3g75B1 ILE 86 H 0.04 0.06 0.07 -0.55 8.25 7.87 3g75B1 ILE 86 HA -0.01 0.10 0.40 -0.75 4.18 3.91 3g75B1 ILE 86 HB 0.01 -0.03 0.01 -0.04 1.89 1.84 3g75B1 ILE 86 HG12 0.02 0.03 -0.02 -0.04 1.49 1.48 3g75B1 ILE 86 HG13 0.04 -0.12 0.08 -0.04 1.21 1.17 3g75B1 ILE 86 HG23 -0.01 0.03 -0.03 -0.04 0.93 0.88 3g75B1 ILE 86 HD13 0.03 0.01 -0.03 -0.04 0.88 0.85 3g75B1 PRO 87 HA -0.06 0.12 0.42 -0.51 4.44 4.41 3g75B1 PRO 87 HB2 -0.04 -0.04 -0.02 -0.04 2.28 2.14 3g75B1 PRO 87 HB3 -0.04 0.01 0.10 -0.04 2.02 2.05 3g75B1 PRO 87 HG2 -0.03 0.05 0.04 -0.04 2.03 2.05 3g75B1 PRO 87 HG3 -0.03 0.12 0.05 -0.04 2.03 2.12 3g75B1 PRO 87 HD2 -0.02 0.06 0.12 -0.04 3.68 3.80 3g75B1 PRO 87 HD3 -0.02 0.16 0.19 -0.04 3.65 3.94 3g75B1 VAL 88 H -0.10 0.11 0.18 -0.55 8.24 7.87 3g75B1 VAL 88 HA -0.15 0.05 0.87 -0.75 4.13 4.15 3g75B1 VAL 88 HB -0.44 -0.00 0.06 -0.04 2.12 1.69 3g75B1 VAL 88 HG13 -0.57 0.04 -0.20 -0.04 0.97 0.20 3g75B1 VAL 88 HG23 -0.27 0.01 -0.15 -0.04 0.95 0.50 3g75B1 ASP 89 H -0.07 -0.01 0.09 -0.55 8.40 7.87 3g75B1 ASP 89 HA -0.04 0.11 0.36 -0.75 4.63 4.30 3g75B1 ASP 89 HB2 -0.02 0.08 0.09 -0.04 2.71 2.82 3g75B1 ASP 89 HB3 -0.03 -0.00 0.12 -0.04 2.70 2.74 3g75B1 ILE 90 H -0.02 0.13 0.14 -0.55 8.25 7.95 3g75B1 ILE 90 HA -0.02 0.04 0.29 -0.75 4.18 3.73 3g75B1 ILE 90 HB -0.01 -0.01 0.05 -0.04 1.89 1.88 3g75B1 ILE 90 HG12 -0.01 -0.03 0.06 -0.04 1.49 1.46 3g75B1 ILE 90 HG13 -0.00 0.06 -0.01 -0.04 1.21 1.21 3g75B1 ILE 90 HG23 -0.01 -0.01 -0.29 -0.04 0.93 0.58 3g75B1 ILE 90 HD13 -0.01 0.03 -0.15 -0.04 0.88 0.71 3g75B1 GLN 91 H -0.01 0.30 0.05 -0.55 8.47 8.26 3g75B1 GLN 91 HA -0.01 0.19 0.81 -0.75 4.36 4.59 3g75B1 GLN 91 HB2 -0.01 0.08 0.02 -0.04 2.15 2.19 3g75B1 GLN 91 HB3 -0.01 -0.02 0.19 -0.04 2.02 2.14 3g75B1 GLN 91 HG2 -0.01 -0.15 -0.19 -0.04 2.40 2.01 3g75B1 GLN 91 HG3 -0.01 0.04 -0.03 -0.04 2.39 2.35 3g75B1 GLN 91 HE21 -0.01 0.05 -0.05 -0.04 6.97 6.92 3g75B1 GLN 91 HE22 -0.01 0.01 -0.07 -0.04 7.69 7.58 3g75B1 GLU 92 H -0.01 0.27 0.07 -0.55 8.60 8.39 3g75B1 GLU 92 HA -0.00 0.08 0.40 -0.75 4.29 4.01 3g75B1 LYS 93 H -0.01 0.13 -0.37 -0.55 8.42 7.62 3g75B1 LYS 93 HA -0.00 0.22 0.69 -0.75 4.32 4.47 3g75B1 MET 94 H -0.01 -0.12 0.33 -0.55 8.47 8.13 3g75B1 MET 94 HA -0.00 0.17 0.52 -0.75 4.52 4.45 3g75B1 MET 94 HB2 -0.00 0.01 0.00 -0.04 2.15 2.12 3g75B1 MET 94 HB3 -0.00 0.15 0.06 -0.04 2.03 2.19 3g75B1 MET 94 HG2 -0.01 -0.12 0.05 -0.04 2.63 2.51 3g75B1 MET 94 HG3 -0.01 0.05 -0.07 -0.04 2.56 2.50 3g75B1 MET 94 HE3 -0.01 0.03 -0.07 -0.04 2.10 2.01 3g75B1 GLY 95 H -0.01 0.37 0.42 -0.55 8.43 8.66 3g75B1 GLY 95 HA2 -0.01 -0.02 0.29 -0.51 4.01 3.76 3g75B1 GLY 95 HA3 -0.00 0.15 0.55 -0.51 4.01 4.20 3g75B1 ARG 96 H -0.01 0.06 -0.00 -0.55 8.46 7.96 3g75B1 ARG 96 HA -0.01 0.24 0.86 -0.75 4.34 4.68 3g75B1 ARG 96 HB2 -0.01 -0.04 -0.01 -0.04 1.90 1.80 3g75B1 ARG 96 HB3 -0.01 0.02 0.01 -0.04 1.80 1.78 3g75B1 ARG 96 HG2 -0.01 -0.01 -0.31 -0.04 1.67 1.30 3g75B1 ARG 96 HG3 -0.00 0.03 -0.08 -0.04 1.67 1.57 3g75B1 ARG 96 HD2 -0.00 0.14 -0.05 -0.04 3.22 3.27 3g75B1 ARG 96 HD3 -0.00 0.04 -0.09 -0.04 3.22 3.12 3g75B1 PRO 97 HA -0.03 0.17 0.18 -0.51 4.44 4.24 3g75B1 PRO 97 HB2 -0.04 -0.21 0.04 -0.04 2.28 2.03 3g75B1 PRO 97 HB3 -0.07 0.27 0.06 -0.04 2.02 2.24 3g75B1 PRO 97 HG2 -0.03 0.02 0.11 -0.04 2.03 2.09 3g75B1 PRO 97 HG3 -0.02 0.12 0.06 -0.04 2.03 2.15 3g75B1 PRO 97 HD2 -0.02 0.06 0.20 -0.04 3.68 3.88 3g75B1 PRO 97 HD3 -0.01 0.26 0.23 -0.04 3.65 4.09 3g75B1 ALA 98 H -0.04 0.51 -0.06 -0.55 8.40 8.26 3g75B1 ALA 98 HA -0.02 0.05 0.33 -0.75 4.34 3.94 3g75B1 ALA 98 HB3 -0.03 0.03 -0.10 -0.04 1.41 1.27 3g75B1 VAL 99 H -0.05 0.11 -0.26 -0.55 8.24 7.50 3g75B1 VAL 99 HA -0.01 0.06 0.27 -0.75 4.13 3.69 3g75B1 VAL 99 HB -0.04 0.28 -0.05 -0.04 2.12 2.28 3g75B1 VAL 99 HG13 -0.04 -0.02 -0.08 -0.04 0.97 0.79 3g75B1 VAL 99 HG23 0.03 -0.02 -0.12 -0.04 0.95 0.81 3g75B1 GLU 100 H -0.01 0.14 -0.23 -0.55 8.60 7.95 3g75B1 GLU 100 HA 0.12 0.03 0.36 -0.75 4.29 4.05 3g75B1 GLU 100 HB2 0.00 -0.07 0.08 -0.04 2.09 2.06 3g75B1 GLU 100 HB3 0.00 0.12 -0.00 -0.04 1.99 2.07 3g75B1 GLU 100 HG2 0.04 0.05 -0.25 -0.04 2.34 2.14 3g75B1 GLU 100 HG3 0.09 -0.02 0.00 -0.04 2.34 2.37 3g75B1 VAL 101 H -0.01 0.41 -0.35 -0.55 8.24 7.74 3g75B1 VAL 101 HA -0.02 0.06 0.25 -0.75 4.13 3.67 3g75B1 VAL 101 HB -0.02 0.14 0.06 -0.04 2.12 2.26 3g75B1 VAL 101 HG13 -0.02 -0.01 -0.16 -0.04 0.97 0.74 3g75B1 VAL 101 HG23 -0.01 0.02 -0.09 -0.04 0.95 0.82 3g75B1 ILE 102 H -0.02 0.35 -0.25 -0.55 8.25 7.78 3g75B1 ILE 102 HA -0.04 0.06 0.27 -0.75 4.18 3.72 3g75B1 ILE 102 HB -0.02 0.05 0.12 -0.04 1.89 1.99 3g75B1 ILE 102 HG12 -0.02 -0.03 -0.02 -0.04 1.49 1.38 3g75B1 ILE 102 HG13 -0.02 0.09 0.05 -0.04 1.21 1.28 3g75B1 ILE 102 HG23 -0.03 -0.02 -0.13 -0.04 0.93 0.71 3g75B1 ILE 102 HD13 -0.02 -0.04 -0.11 -0.04 0.88 0.67 3g75B1 LEU 103 H -0.05 0.52 -0.14 -0.55 8.37 8.16 3g75B1 LEU 103 HA -0.16 -0.01 0.37 -0.75 4.35 3.79 3g75B1 LEU 103 HB2 -0.05 0.16 0.09 -0.04 1.64 1.79 3g75B1 LEU 103 HB3 -0.69 -0.01 -0.11 -0.04 1.64 0.80 3g75B1 LEU 103 HG 0.09 -0.02 -0.08 -0.04 1.64 1.59 3g75B1 LEU 103 HD13 -0.15 -0.01 -0.05 -0.04 0.93 0.67 3g75B1 LEU 103 HD23 -0.01 0.02 -0.07 -0.04 0.89 0.78 3g75B1 THR 104 H -0.11 0.47 -0.27 -0.55 8.28 7.82 3g75B1 THR 104 HA -0.21 0.12 0.73 -0.75 4.39 4.27 3g75B1 THR 104 HB -0.06 -0.00 0.21 -0.04 4.32 4.42 3g75B1 THR 104 HG23 -0.02 0.03 0.02 -0.04 1.22 1.21 3g75B1 SER 128 H -0.10 0.30 -0.59 -0.55 8.46 7.53 3g75B1 SER 128 HA -0.08 0.20 0.64 -0.75 4.49 4.49 3g75B1 SER 128 HB2 -0.05 0.08 0.08 -0.04 3.95 4.02 3g75B1 SER 128 HB3 -0.05 -0.10 0.16 -0.04 3.93 3.90 3g75B1 SER 129 H -0.15 0.35 -0.24 -0.55 8.46 7.88 3g75B1 SER 129 HA -0.10 0.11 0.59 -0.75 4.49 4.34 3g75B1 SER 129 HB2 -0.13 0.11 0.09 -0.04 3.95 3.98 3g75B1 SER 129 HB3 -0.18 0.25 0.19 -0.04 3.93 4.14 3g75B1 VAL 130 H -0.10 0.20 0.15 -0.55 8.24 7.94 3g75B1 VAL 130 HA -0.17 0.15 0.52 -0.75 4.13 3.88 3g75B1 VAL 130 HB -0.05 -0.03 0.07 -0.04 2.12 2.07 3g75B1 VAL 130 HG13 -0.04 0.02 -0.19 -0.04 0.97 0.71 3g75B1 VAL 130 HG23 -0.14 0.04 0.01 -0.04 0.95 0.81 3g75B1 VAL 131 H -0.14 0.11 -0.06 -0.55 8.24 7.60 3g75B1 VAL 131 HA -0.19 0.10 0.30 -0.75 4.13 3.59 3g75B1 VAL 131 HB -0.30 -0.01 -0.05 -0.04 2.12 1.71 3g75B1 VAL 131 HG13 -0.95 0.01 -0.17 -0.04 0.97 -0.18 3g75B1 VAL 131 HG23 -0.23 0.00 0.01 -0.04 0.95 0.69 3g75B1 ASN 132 H -0.18 0.02 -0.55 -0.55 8.53 7.28 3g75B1 ASN 132 HA -0.16 0.01 0.20 -0.75 4.76 4.06 3g75B1 ASN 132 HB2 -0.23 -0.08 0.06 -0.04 2.88 2.59 3g75B1 ASN 132 HB3 -0.20 0.20 0.02 -0.04 2.79 2.77 3g75B1 ASN 132 HD21 -0.90 -0.13 -0.28 -0.04 7.03 5.68 3g75B1 ASN 132 HD22 -0.41 0.72 -0.05 -0.04 7.74 7.96 3g75B1 ALA 133 H -0.13 0.32 -0.32 -0.55 8.40 7.73 3g75B1 ALA 133 HA -0.08 0.07 0.22 -0.75 4.34 3.80 3g75B1 ALA 133 HB3 -0.11 0.03 0.03 -0.04 1.41 1.32 3g75B1 LEU 134 H -0.06 0.39 -0.38 -0.55 8.37 7.77 3g75B1 LEU 134 HA 0.00 0.11 0.48 -0.75 4.35 4.19 3g75B1 LEU 134 HB2 0.09 0.03 0.04 -0.04 1.64 1.76 3g75B1 LEU 134 HB3 0.16 -0.09 0.13 -0.04 1.64 1.80 3g75B1 LEU 134 HG -0.04 0.17 -0.04 -0.04 1.64 1.68 3g75B1 LEU 134 HD13 0.04 -0.02 -0.09 -0.04 0.93 0.81 3g75B1 LEU 134 HD23 -0.07 0.03 -0.26 -0.04 0.89 0.55 3g75B1 SER 135 H -0.02 0.43 -0.57 -0.55 8.46 7.75 3g75B1 SER 135 HA 0.03 0.02 0.97 -0.75 4.49 4.76 3g75B1 SER 135 HB2 -0.02 0.01 -0.06 -0.04 3.95 3.83 3g75B1 SER 135 HB3 0.01 0.02 -0.02 -0.04 3.93 3.90 3g75B1 GLN 136 H -0.06 0.53 0.22 -0.55 8.47 8.62 3g75B1 GLN 136 HA -0.00 0.07 0.63 -0.75 4.36 4.31 3g75B1 GLN 136 HB2 -0.00 0.00 0.13 -0.04 2.15 2.24 3g75B1 GLN 136 HB3 -0.01 -0.16 0.13 -0.04 2.02 1.94 3g75B1 GLN 136 HG2 -0.14 0.29 0.09 -0.04 2.40 2.60 3g75B1 GLN 136 HG3 -0.08 -0.00 -0.09 -0.04 2.39 2.18 3g75B1 GLN 136 HE21 -0.01 -0.01 0.03 -0.04 6.97 6.94 3g75B1 GLN 136 HE22 -0.02 0.00 -0.01 -0.04 7.69 7.62 3g75B1 ASP 137 H -0.15 0.23 0.21 -0.55 8.40 8.15 3g75B1 ASP 137 HA 0.08 0.31 0.72 -0.75 4.63 4.98 3g75B1 ASP 137 HB2 -0.18 -0.08 0.09 -0.04 2.71 2.51 3g75B1 ASP 137 HB3 0.36 0.00 0.05 -0.04 2.70 3.08 3g75B1 LEU 138 H 0.20 0.43 0.28 -0.55 8.37 8.73 3g75B1 LEU 138 HA 0.29 0.21 0.71 -0.75 4.35 4.80 3g75B1 LEU 138 HB2 0.11 0.08 -0.04 -0.04 1.64 1.74 3g75B1 LEU 138 HB3 0.15 -0.06 -0.06 -0.04 1.64 1.63 3g75B1 LEU 138 HG 0.22 0.15 0.07 -0.04 1.64 2.03 3g75B1 LEU 138 HD13 -0.04 -0.03 -0.16 -0.04 0.93 0.66 3g75B1 LEU 138 HD23 0.13 -0.02 -0.34 -0.04 0.89 0.62 3g75B1 GLU 139 H 0.32 0.63 0.43 -0.55 8.60 9.43 3g75B1 GLU 139 HA 0.15 0.23 1.15 -0.75 4.29 5.07 3g75B1 GLU 139 HB2 0.29 -0.06 0.09 -0.04 2.09 2.37 3g75B1 GLU 139 HB3 0.13 0.07 -0.02 -0.04 1.99 2.13 3g75B1 GLU 139 HG2 0.31 0.04 -0.03 -0.04 2.34 2.61 3g75B1 GLU 139 HG3 0.28 -0.05 -0.30 -0.04 2.34 2.22 3g75B1 VAL 140 H 0.02 0.49 0.40 -0.55 8.24 8.60 3g75B1 VAL 140 HA 0.14 0.34 1.08 -0.75 4.13 4.93 3g75B1 VAL 140 HB 0.16 -0.00 0.02 -0.04 2.12 2.26 3g75B1 VAL 140 HG13 0.04 0.08 0.07 -0.04 0.97 1.12 3g75B1 VAL 140 HG23 0.11 -0.00 -0.05 -0.04 0.95 0.97 3g75B1 TYR 141 H 0.27 0.47 0.34 -0.55 8.29 8.82 3g75B1 TYR 141 HA 0.15 0.38 0.65 -0.75 4.56 4.99 3g75B1 TYR 141 HB2 0.12 -0.10 0.10 -0.04 3.06 3.14 3g75B1 TYR 141 HB3 0.10 0.05 -0.00 -0.04 2.98 3.08 3g75B1 TYR 141 HD2 -0.03 -0.01 -0.17 -0.04 7.15 6.90 3g75B1 TYR 141 HE2 -0.31 -0.02 -0.14 -0.04 6.85 6.34 3g75B1 VAL 142 H 0.24 0.44 0.23 -0.55 8.24 8.60 3g75B1 VAL 142 HA 0.22 0.22 1.17 -0.75 4.13 4.99 3g75B1 VAL 142 HB 0.23 -0.07 0.09 -0.04 2.12 2.33 3g75B1 VAL 142 HG13 0.11 0.03 -0.15 -0.04 0.97 0.92 3g75B1 VAL 142 HG23 0.08 -0.02 -0.10 -0.04 0.95 0.87 3g75B1 HIS 143 H 0.30 0.64 0.25 -0.55 8.41 9.06 3g75B1 HIS 143 HA 0.10 0.32 1.02 -0.75 4.63 5.32 3g75B1 HIS 143 HB2 0.06 -0.12 -0.04 -0.04 3.26 3.12 3g75B1 HIS 143 HB3 0.04 0.28 -0.19 -0.04 3.20 3.28 3g75B1 HIS 143 HD2 0.10 -0.05 -0.52 -0.04 6.97 6.45 3g75B1 HIS 143 HE1 -0.02 -0.00 -0.14 -0.04 7.75 7.54 3g75B1 ARG 144 H 0.13 0.59 0.21 -0.55 8.46 8.84 3g75B1 ARG 144 HA 0.10 0.08 0.71 -0.75 4.34 4.47 3g75B1 ARG 144 HB2 0.11 0.16 -0.43 -0.04 1.90 1.70 3g75B1 ARG 144 HB3 0.18 -0.05 -0.17 -0.04 1.80 1.72 3g75B1 ARG 144 HG2 0.06 -0.10 -0.11 -0.04 1.67 1.48 3g75B1 ARG 144 HG3 0.05 -0.04 0.12 -0.04 1.67 1.76 3g75B1 ARG 144 HD2 0.01 0.44 0.02 -0.04 3.22 3.64 3g75B1 ARG 144 HD3 0.01 0.02 -0.22 -0.04 3.22 2.98 3g75B1 ASN 145 H 0.07 0.21 0.15 -0.55 8.53 8.41 3g75B1 ASN 145 HA 0.05 0.05 0.35 -0.75 4.76 4.46 3g75B1 ASN 145 HB2 0.18 0.18 0.10 -0.04 2.88 3.31 3g75B1 ASN 145 HB3 0.08 0.01 0.21 -0.04 2.79 3.06 3g75B1 ASN 145 HD21 0.03 -0.06 -0.09 -0.04 7.03 6.88 3g75B1 ASN 145 HD22 0.18 0.05 -0.15 -0.04 7.74 7.78 3g75B1 GLU 146 H 0.05 0.07 -0.28 -0.55 8.60 7.90 3g75B1 GLU 146 HA 0.02 0.22 0.29 -0.75 4.29 4.06 3g75B1 GLU 146 HB2 0.01 0.18 -0.24 -0.04 2.09 2.00 3g75B1 GLU 146 HB3 -0.00 -0.06 0.24 -0.04 1.99 2.13 3g75B1 GLU 146 HG2 0.01 -0.02 -0.02 -0.04 2.34 2.27 3g75B1 GLU 146 HG3 0.02 0.10 0.08 -0.04 2.34 2.50 3g75B1 THR 147 H -0.01 0.39 -0.57 -0.55 8.28 7.54 3g75B1 THR 147 HA -0.16 0.20 1.06 -0.75 4.39 4.73 3g75B1 THR 147 HB -0.41 0.03 0.00 -0.04 4.32 3.90 3g75B1 THR 147 HG23 -0.51 0.01 0.03 -0.04 1.22 0.71 3g75B1 ILE 148 H -0.28 0.46 0.11 -0.55 8.25 7.99 3g75B1 ILE 148 HA -0.27 0.37 1.03 -0.75 4.18 4.56 3g75B1 ILE 148 HB -0.14 -0.19 0.06 -0.04 1.89 1.58 3g75B1 ILE 148 HG12 -0.60 0.06 -0.33 -0.04 1.49 0.58 3g75B1 ILE 148 HG13 -0.21 -0.08 -0.63 -0.04 1.21 0.25 3g75B1 ILE 148 HG23 -0.09 0.02 -0.19 -0.04 0.93 0.63 3g75B1 ILE 148 HD13 -0.12 0.02 -0.11 -0.04 0.88 0.63 3g75B1 TYR 149 H 0.17 0.51 0.29 -0.55 8.29 8.70 3g75B1 TYR 149 HA 0.06 0.32 1.07 -0.75 4.56 5.25 3g75B1 TYR 149 HB2 0.04 -0.08 0.02 -0.04 3.06 3.00 3g75B1 TYR 149 HB3 0.03 -0.02 -0.03 -0.04 2.98 2.92 3g75B1 TYR 149 HD2 0.02 0.07 -0.13 -0.04 7.15 7.07 3g75B1 TYR 149 HE2 0.01 0.08 -0.09 -0.04 6.85 6.81 3g75B1 HIS 150 H 0.22 0.41 0.32 -0.55 8.41 8.81 3g75B1 HIS 150 HA -0.14 0.26 1.03 -0.75 4.63 5.03 3g75B1 HIS 150 HB2 0.06 -0.00 -0.22 -0.04 3.26 3.05 3g75B1 HIS 150 HB3 0.08 0.02 0.07 -0.04 3.20 3.32 3g75B1 HIS 150 HD2 0.10 0.00 -0.08 -0.04 6.97 6.95 3g75B1 HIS 150 HE1 -0.13 -0.06 -0.07 -0.04 7.75 7.45 3g75B1 GLN 151 H -0.09 0.38 0.31 -0.55 8.47 8.53 3g75B1 GLN 151 HA -0.68 0.18 0.56 -0.75 4.36 3.67 3g75B1 GLN 151 HB2 -0.24 -0.04 -0.05 -0.04 2.15 1.78 3g75B1 GLN 151 HB3 -0.32 -0.05 -0.00 -0.04 2.02 1.61 3g75B1 GLN 151 HG2 -1.02 0.03 -0.03 -0.04 2.40 1.34 3g75B1 GLN 151 HG3 -0.77 0.30 0.17 -0.04 2.39 2.05 3g75B1 GLN 151 HE21 -0.12 -0.06 0.01 -0.04 6.97 6.76 3g75B1 GLN 151 HE22 -0.32 0.36 0.02 -0.04 7.69 7.72 3g75B1 ALA 152 H -1.21 0.22 0.23 -0.55 8.40 7.10 3g75B1 ALA 152 HA -0.30 0.28 1.15 -0.75 4.34 4.72 3g75B1 ALA 152 HB3 -0.08 0.01 0.02 -0.04 1.41 1.32 3g75B1 TYR 153 H 0.11 0.60 0.36 -0.55 8.29 8.81 3g75B1 TYR 153 HA -0.08 0.27 0.78 -0.75 4.56 4.77 3g75B1 TYR 153 HB2 -0.03 -0.03 -0.20 -0.04 3.06 2.76 3g75B1 TYR 153 HB3 -0.06 0.00 -0.46 -0.04 2.98 2.43 3g75B1 TYR 153 HD2 -0.06 0.10 -0.26 -0.04 7.15 6.89 3g75B1 TYR 153 HE2 -0.07 0.01 -0.16 -0.04 6.85 6.59 3g75B1 LYS 154 H 0.09 0.52 0.14 -0.55 8.42 8.60 3g75B1 LYS 154 HA 0.07 0.22 0.72 -0.75 4.32 4.57 3g75B1 LYS 154 HB2 0.04 0.02 0.15 -0.04 1.87 2.03 3g75B1 LYS 154 HB3 0.04 0.04 0.08 -0.04 1.79 1.90 3g75B1 LYS 154 HG2 0.08 0.13 0.20 -0.04 1.46 1.83 3g75B1 LYS 154 HG3 0.07 -0.08 -0.18 -0.04 1.46 1.22 3g75B1 LYS 154 HD2 0.05 -0.00 0.02 -0.04 1.69 1.71 3g75B1 LYS 154 HD3 0.05 0.01 0.05 -0.04 1.68 1.75 3g75B1 LYS 154 HE2 0.09 -0.03 -0.02 -0.04 2.99 2.99 3g75B1 LYS 154 HE3 0.07 -0.01 -0.00 -0.04 2.99 3.00 3g75B1 LYS 155 H 0.02 0.34 0.18 -0.55 8.42 8.40 3g75B1 LYS 155 HA -0.01 0.28 0.41 -0.75 4.32 4.24 3g75B1 LYS 155 HB2 0.00 0.07 0.08 -0.04 1.87 1.98 3g75B1 LYS 155 HB3 -0.01 0.00 0.27 -0.04 1.79 2.01 3g75B1 LYS 155 HG2 -0.00 0.00 0.06 -0.04 1.46 1.48 3g75B1 LYS 155 HG3 0.01 -0.03 0.08 -0.04 1.46 1.48 3g75B1 LYS 155 HD2 0.01 0.00 -0.05 -0.04 1.69 1.62 3g75B1 LYS 155 HD3 -0.00 0.01 0.02 -0.04 1.68 1.66 3g75B1 LYS 155 HE2 -0.00 -0.03 0.01 -0.04 2.99 2.93 3g75B1 LYS 155 HE3 0.01 -0.03 0.02 -0.04 2.99 2.95 3g75B1 GLY 156 H 0.01 0.00 -0.55 -0.55 8.43 7.34 3g75B1 GLY 156 HA2 -0.12 -0.07 0.04 -0.51 4.01 3.36 3g75B1 GLY 156 HA3 -0.08 0.07 0.04 -0.51 4.01 3.54 3g75B1 VAL 157 H 0.05 0.52 -0.42 -0.55 8.24 7.84 3g75B1 VAL 157 HA 0.04 0.20 0.87 -0.75 4.13 4.48 3g75B1 VAL 157 HB 0.03 0.06 0.16 -0.04 2.12 2.32 3g75B1 VAL 157 HG13 0.01 0.01 -0.12 -0.04 0.97 0.84 3g75B1 VAL 157 HG23 0.00 0.03 -0.03 -0.04 0.95 0.91 3g75B1 PRO 158 HA -0.17 0.07 0.36 -0.51 4.44 4.19 3g75B1 PRO 158 HB2 -0.05 -0.00 0.01 -0.04 2.28 2.19 3g75B1 PRO 158 HB3 -0.14 -0.02 0.05 -0.04 2.02 1.86 3g75B1 PRO 158 HG2 0.05 0.01 0.05 -0.04 2.03 2.10 3g75B1 PRO 158 HG3 0.24 0.04 0.02 -0.04 2.03 2.29 3g75B1 PRO 158 HD2 0.03 0.07 0.20 -0.04 3.68 3.94 3g75B1 PRO 158 HD3 0.08 0.38 0.32 -0.04 3.65 4.39 3g75B1 GLN 159 H -0.43 0.47 0.41 -0.55 8.47 8.37 3g75B1 GLN 159 HA -0.02 0.18 0.73 -0.75 4.36 4.50 3g75B1 GLN 159 HB2 -0.18 -0.02 0.07 -0.04 2.15 1.98 3g75B1 GLN 159 HB3 0.11 -0.04 0.10 -0.04 2.02 2.15 3g75B1 GLN 159 HG2 -0.06 0.05 0.01 -0.04 2.40 2.35 3g75B1 GLN 159 HG3 0.01 -0.08 -0.19 -0.04 2.39 2.09 3g75B1 GLN 159 HE21 0.03 -0.03 0.01 -0.04 6.97 6.94 3g75B1 GLN 159 HE22 0.03 0.20 0.08 -0.04 7.69 7.95 3g75B1 PHE 160 H -0.51 0.16 0.10 -0.55 8.34 7.54 3g75B1 PHE 160 HA -0.05 0.05 0.32 -0.75 4.62 4.18 3g75B1 PHE 160 HB2 -0.06 0.01 0.09 -0.04 3.15 3.15 3g75B1 PHE 160 HB3 -0.06 0.21 0.20 -0.04 3.06 3.36 3g75B1 PHE 160 HD2 -0.10 0.24 -0.32 -0.04 7.28 7.06 3g75B1 PHE 160 HE2 -0.21 0.07 -0.05 -0.04 7.38 7.15 3g75B1 PHE 160 HZ -0.53 -0.02 -0.11 -0.04 7.32 6.63 3g75B1 ASP 161 H 0.10 0.12 0.11 -0.55 8.40 8.19 3g75B1 ASP 161 HA -0.03 -0.03 0.44 -0.75 4.63 4.25 3g75B1 ASP 161 HB2 0.06 -0.01 0.13 -0.04 2.71 2.86 3g75B1 ASP 161 HB3 0.04 0.10 0.03 -0.04 2.70 2.83 3g75B1 LEU 162 H -0.04 0.01 0.22 -0.55 8.37 8.01 3g75B1 LEU 162 HA -0.02 0.16 0.50 -0.75 4.35 4.23 3g75B1 LEU 162 HB2 -0.04 -0.05 0.15 -0.04 1.64 1.65 3g75B1 LEU 162 HB3 0.01 -0.02 0.13 -0.04 1.64 1.72 3g75B1 LEU 162 HG 0.12 0.04 -0.19 -0.04 1.64 1.58 3g75B1 LEU 162 HD13 0.00 -0.00 -0.21 -0.04 0.93 0.68 3g75B1 LEU 162 HD23 -0.11 -0.02 -0.05 -0.04 0.89 0.68 3g75B1 LYS 163 H 0.14 0.45 0.40 -0.55 8.42 8.86 3g75B1 LYS 163 HA 0.10 0.17 1.08 -0.75 4.32 4.92 3g75B1 LYS 163 HB2 0.05 0.01 0.08 -0.04 1.87 1.96 3g75B1 LYS 163 HB3 0.10 0.13 -0.06 -0.04 1.79 1.92 3g75B1 LYS 163 HG2 0.20 0.10 0.14 -0.04 1.46 1.86 3g75B1 LYS 163 HG3 0.11 -0.07 -0.16 -0.04 1.46 1.30 3g75B1 LYS 163 HD2 -0.18 0.01 -0.02 -0.04 1.69 1.46 3g75B1 LYS 163 HD3 -0.06 -0.05 -0.05 -0.04 1.68 1.48 3g75B1 LYS 163 HE2 0.00 0.10 -0.09 -0.04 2.99 2.97 3g75B1 LYS 163 HE3 -0.04 -0.01 -0.01 -0.04 2.99 2.89 3g75B1 GLU 164 H 0.06 0.16 0.20 -0.55 8.60 8.47 3g75B1 GLU 164 HA -0.10 0.21 0.87 -0.75 4.29 4.52 3g75B1 GLU 164 HB2 -0.03 -0.01 0.20 -0.04 2.09 2.21 3g75B1 GLU 164 HB3 -0.15 0.04 0.11 -0.04 1.99 1.96 3g75B1 GLU 164 HG2 -0.12 0.01 -0.02 -0.04 2.34 2.17 3g75B1 GLU 164 HG3 0.10 -0.05 0.05 -0.04 2.34 2.40 3g75B1 VAL 165 H -0.05 0.56 0.39 -0.55 8.24 8.59 3g75B1 VAL 165 HA -0.00 0.22 1.03 -0.75 4.13 4.63 3g75B1 VAL 165 HB 0.04 -0.03 0.11 -0.04 2.12 2.20 3g75B1 VAL 165 HG13 0.12 0.03 -0.23 -0.04 0.97 0.85 3g75B1 VAL 165 HG23 0.08 0.01 -0.18 -0.04 0.95 0.81 3g75B1 GLY 166 H -0.11 0.20 0.29 -0.55 8.43 8.26 3g75B1 GLY 166 HA2 -0.06 0.11 0.42 -0.51 4.01 3.98 3g75B1 GLY 166 HA3 -0.07 0.07 0.44 -0.51 4.01 3.94 3g75B1 THR 167 H -0.06 0.21 0.21 -0.55 8.28 8.10 3g75B1 THR 167 HA -0.09 0.27 1.01 -0.75 4.39 4.82 3g75B1 THR 167 HB -0.03 0.07 0.14 -0.04 4.32 4.46 3g75B1 THR 167 HG23 -0.04 -0.00 -0.08 -0.04 1.22 1.05 3g75B1 THR 168 H -0.03 0.62 0.13 -0.55 8.28 8.46 3g75B1 THR 168 HA 0.02 0.08 0.61 -0.75 4.39 4.35 3g75B1 THR 168 HB -0.03 0.08 -0.44 -0.04 4.32 3.88 3g75B1 THR 168 HG23 0.05 0.01 -0.39 -0.04 1.22 0.85 3g75B1 ASP 169 H 0.04 0.14 0.11 -0.55 8.40 8.14 3g75B1 ASP 169 HA 0.03 0.22 0.92 -0.75 4.63 5.04 3g75B1 ASP 169 HB2 0.02 0.03 0.15 -0.04 2.71 2.87 3g75B1 ASP 169 HB3 0.02 0.01 0.06 -0.04 2.70 2.75 3g75B1 LYS 170 H 0.10 -0.00 -0.12 -0.55 8.42 7.84 3g75B1 LYS 170 HA 0.04 0.28 0.99 -0.75 4.32 4.88 3g75B1 LYS 170 HB2 0.02 -0.04 -0.08 -0.04 1.87 1.73 3g75B1 LYS 170 HB3 0.01 0.11 0.11 -0.04 1.79 1.98 3g75B1 LYS 170 HG2 0.02 0.11 -0.17 -0.04 1.46 1.38 3g75B1 LYS 170 HG3 0.03 -0.19 -0.20 -0.04 1.46 1.06 3g75B1 LYS 170 HD2 -0.02 -0.03 -0.07 -0.04 1.69 1.53 3g75B1 LYS 170 HD3 -0.02 0.07 -0.03 -0.04 1.68 1.65 3g75B1 LYS 170 HE2 0.00 -0.04 -0.06 -0.04 2.99 2.85 3g75B1 LYS 170 HE3 -0.01 0.00 -0.04 -0.04 2.99 2.90 3g75B1 THR 171 H 0.04 0.22 0.16 -0.55 8.28 8.15 3g75B1 THR 171 HA 0.13 0.25 0.72 -0.75 4.39 4.74 3g75B1 THR 171 HB 0.05 0.13 0.16 -0.04 4.32 4.62 3g75B1 THR 171 HG23 0.05 -0.06 -0.06 -0.04 1.22 1.11 3g75B1 GLY 172 H 0.12 0.55 0.23 -0.55 8.43 8.78 3g75B1 GLY 172 HA2 0.03 -0.10 0.03 -0.51 4.01 3.47 3g75B1 GLY 172 HA3 -0.02 0.21 0.70 -0.51 4.01 4.40 3g75B1 THR 173 H 0.03 0.42 0.32 -0.55 8.28 8.50 3g75B1 THR 173 HA 0.14 0.32 1.08 -0.75 4.39 5.18 3g75B1 THR 173 HB 0.06 -0.05 0.06 -0.04 4.32 4.34 3g75B1 THR 173 HG23 0.09 0.03 -0.01 -0.04 1.22 1.29 3g75B1 VAL 174 H 0.19 0.53 0.43 -0.55 8.24 8.84 3g75B1 VAL 174 HA 0.09 0.33 1.13 -0.75 4.13 4.93 3g75B1 VAL 174 HB 0.28 -0.08 0.08 -0.04 2.12 2.36 3g75B1 VAL 174 HG13 0.08 0.00 -0.10 -0.04 0.97 0.92 3g75B1 VAL 174 HG23 0.03 0.01 -0.15 -0.04 0.95 0.80 3g75B1 ILE 175 H 0.12 0.61 0.39 -0.55 8.25 8.83 3g75B1 ILE 175 HA 0.20 0.36 1.02 -0.75 4.18 5.00 3g75B1 ILE 175 HB 0.15 -0.09 0.15 -0.04 1.89 2.07 3g75B1 ILE 175 HG12 0.11 -0.12 -0.55 -0.04 1.49 0.89 3g75B1 ILE 175 HG13 0.08 -0.03 -0.06 -0.04 1.21 1.15 3g75B1 ILE 175 HG23 0.19 0.01 -0.07 -0.04 0.93 1.02 3g75B1 ILE 175 HD13 0.09 0.03 0.06 -0.04 0.88 1.02 3g75B1 ARG 176 H 0.27 0.53 0.35 -0.55 8.46 9.06 3g75B1 ARG 176 HA 0.19 0.46 1.20 -0.75 4.34 5.42 3g75B1 ARG 176 HB2 0.36 -0.10 0.13 -0.04 1.90 2.25 3g75B1 ARG 176 HB3 0.38 0.01 0.01 -0.04 1.80 2.16 3g75B1 ARG 176 HG2 0.13 0.04 -0.13 -0.04 1.67 1.66 3g75B1 ARG 176 HG3 0.24 -0.04 -0.24 -0.04 1.67 1.59 3g75B1 ARG 176 HD2 0.04 0.01 -0.11 -0.04 3.22 3.11 3g75B1 ARG 176 HD3 0.14 -0.01 -0.10 -0.04 3.22 3.22 3g75B1 PHE 177 H -0.12 0.51 0.40 -0.55 8.34 8.58 3g75B1 PHE 177 HA -0.03 0.19 0.88 -0.75 4.62 4.91 3g75B1 PHE 177 HB2 -0.09 0.10 0.05 -0.04 3.15 3.17 3g75B1 PHE 177 HB3 0.01 -0.00 -0.16 -0.04 3.06 2.86 3g75B1 PHE 177 HD2 -0.05 -0.01 -0.26 -0.04 7.28 6.92 3g75B1 PHE 177 HE2 -0.08 0.01 -0.09 -0.04 7.38 7.19 3g75B1 PHE 177 HZ -0.14 -0.05 -0.20 -0.04 7.32 6.90 3g75B1 LYS 178 H -0.43 0.56 0.29 -0.55 8.42 8.28 3g75B1 LYS 178 HA -0.58 0.21 1.08 -0.75 4.32 4.28 3g75B1 LYS 178 HB2 -2.53 0.00 0.03 -0.04 1.87 -0.67 3g75B1 LYS 178 HB3 -1.23 -0.09 0.22 -0.04 1.79 0.65 3g75B1 LYS 178 HG2 -0.44 -0.06 0.01 -0.04 1.46 0.93 3g75B1 LYS 178 HG3 -0.34 0.09 -0.24 -0.04 1.46 0.93 3g75B1 LYS 178 HD2 -0.32 0.08 0.04 -0.04 1.69 1.45 3g75B1 LYS 178 HD3 -0.64 -0.02 -0.08 -0.04 1.68 0.89 3g75B1 LYS 178 HE2 -0.06 -0.09 0.01 -0.04 2.99 2.81 3g75B1 LYS 178 HE3 -0.11 -0.03 0.02 -0.04 2.99 2.83 3g75B1 ALA 179 H -0.15 0.22 0.19 -0.55 8.40 8.11 3g75B1 ALA 179 HA 0.03 0.14 0.50 -0.75 4.34 4.26 3g75B1 ALA 179 HB3 -0.36 0.03 0.14 -0.04 1.41 1.17 3g75B1 ASP 180 H 0.27 0.45 0.29 -0.55 8.40 8.86 3g75B1 ASP 180 HA 0.02 0.04 0.39 -0.75 4.63 4.33 3g75B1 ASP 180 HB2 0.05 0.05 -0.24 -0.04 2.71 2.52 3g75B1 ASP 180 HB3 0.09 0.03 0.10 -0.04 2.70 2.88 3g75B1 GLY 181 H 0.02 0.19 0.23 -0.55 8.43 8.32 3g75B1 GLY 181 HA2 0.06 0.25 0.27 -0.51 4.01 4.08 3g75B1 GLY 181 HA3 0.02 0.05 0.28 -0.51 4.01 3.86 3g75B1 GLU 182 H 0.01 0.03 -0.21 -0.55 8.60 7.89 3g75B1 GLU 182 HA -0.01 0.08 0.41 -0.75 4.29 4.02 3g75B1 GLU 182 HB2 -0.02 0.01 -0.03 -0.04 2.09 2.01 3g75B1 GLU 182 HB3 -0.02 0.06 0.02 -0.04 1.99 2.01 3g75B1 GLU 182 HG2 0.00 -0.12 0.05 -0.04 2.34 2.23 3g75B1 GLU 182 HG3 -0.00 0.06 0.02 -0.04 2.34 2.37 3g75B1 ILE 183 H -0.02 0.08 -0.39 -0.55 8.25 7.37 3g75B1 ILE 183 HA -0.15 0.15 0.65 -0.75 4.18 4.08 3g75B1 ILE 183 HB -0.19 0.03 0.11 -0.04 1.89 1.80 3g75B1 ILE 183 HG12 -0.06 -0.14 -0.07 -0.04 1.49 1.19 3g75B1 ILE 183 HG13 -0.09 0.04 -0.01 -0.04 1.21 1.12 3g75B1 ILE 183 HG23 -0.53 -0.00 -0.06 -0.04 0.93 0.29 3g75B1 ILE 183 HD13 -0.09 0.03 -0.06 -0.04 0.88 0.72 3g75B1 PHE 184 H 0.09 0.85 0.12 -0.55 8.34 8.85 3g75B1 PHE 184 HA -0.03 0.22 0.95 -0.75 4.62 5.01 3g75B1 PHE 184 HB2 -0.06 -0.01 0.00 -0.04 3.15 3.04 3g75B1 PHE 184 HB3 -0.07 0.09 0.12 -0.04 3.06 3.16 3g75B1 PHE 184 HD2 -0.04 0.08 0.06 -0.04 7.28 7.34 3g75B1 PHE 184 HE2 -0.02 0.01 -0.02 -0.04 7.38 7.32 3g75B1 PHE 184 HZ 0.00 0.00 -0.11 -0.04 7.32 7.17 3g75B1 THR 185 H -0.03 0.20 -0.51 -0.55 8.28 7.40 3g75B1 THR 185 HA 0.02 0.06 0.54 -0.75 4.39 4.26 3g75B1 THR 185 HB -0.00 -0.11 0.10 -0.04 4.32 4.27 3g75B1 THR 185 HG23 -0.02 0.03 -0.02 -0.04 1.22 1.17 3g75B1 GLU 186 H 0.01 0.12 0.03 -0.55 8.60 8.21 3g75B1 GLU 186 HA 0.01 -0.02 0.39 -0.75 4.29 3.92 3g75B1 GLU 186 HB2 0.02 -0.06 -0.28 -0.04 2.09 1.73 3g75B1 GLU 186 HB3 0.04 0.29 0.42 -0.04 1.99 2.69 3g75B1 GLU 186 HG2 0.02 -0.02 -0.17 -0.04 2.34 2.13 3g75B1 GLU 186 HG3 0.02 -0.03 0.01 -0.04 2.34 2.29 3g75B1 THR 187 H 0.05 0.57 -0.08 -0.55 8.28 8.27 3g75B1 THR 187 HA -0.01 0.07 0.74 -0.75 4.39 4.43 3g75B1 THR 187 HB 0.01 0.04 -0.19 -0.04 4.32 4.14 3g75B1 THR 187 HG23 -0.00 -0.00 -0.06 -0.04 1.22 1.12 3g75B1 THR 188 H -0.06 0.11 0.08 -0.55 8.28 7.86 3g75B1 THR 188 HA -0.21 0.28 0.95 -0.75 4.39 4.66 3g75B1 THR 188 HB -0.12 0.04 0.16 -0.04 4.32 4.36 3g75B1 THR 188 HG23 -0.01 0.02 -0.13 -0.04 1.22 1.05 3g75B1 VAL 189 H -0.15 0.10 -0.08 -0.55 8.24 7.57 3g75B1 VAL 189 HA -0.13 0.24 0.89 -0.75 4.13 4.38 3g75B1 VAL 189 HB -0.03 -0.03 0.08 -0.04 2.12 2.10 3g75B1 VAL 189 HG13 0.03 -0.00 -0.19 -0.04 0.97 0.77 3g75B1 VAL 189 HG23 -0.02 -0.01 -0.10 -0.04 0.95 0.78 3g75B1 TYR 190 H 0.06 0.15 0.17 -0.55 8.29 8.12 3g75B1 TYR 190 HA -0.00 0.10 0.36 -0.75 4.56 4.26 3g75B1 TYR 190 HB2 0.00 -0.01 0.12 -0.04 3.06 3.13 3g75B1 TYR 190 HB3 0.06 -0.04 -0.10 -0.04 2.98 2.87 3g75B1 TYR 190 HD2 -0.14 -0.05 0.01 -0.04 7.15 6.93 3g75B1 TYR 190 HE2 -0.28 0.15 -0.09 -0.04 6.85 6.59 3g75B1 ASN 191 H 0.61 0.19 0.13 -0.55 8.53 8.92 3g75B1 ASN 191 HA 0.17 0.16 0.77 -0.75 4.76 5.11 3g75B1 ASN 191 HB2 0.17 0.13 0.08 -0.04 2.88 3.22 3g75B1 ASN 191 HB3 0.11 -0.01 0.22 -0.04 2.79 3.07 3g75B1 ASN 191 HD21 0.07 0.03 -0.01 -0.04 7.03 7.08 3g75B1 ASN 191 HD22 0.08 0.08 0.01 -0.04 7.74 7.88 3g75B1 TYR 192 H 0.25 0.28 0.15 -0.55 8.29 8.42 3g75B1 TYR 192 HA 0.08 0.07 0.24 -0.75 4.56 4.20 3g75B1 TYR 192 HB2 0.06 0.06 0.13 -0.04 3.06 3.27 3g75B1 TYR 192 HB3 0.05 -0.01 0.15 -0.04 2.98 3.13 3g75B1 TYR 192 HD2 0.05 -0.01 -0.18 -0.04 7.15 6.97 3g75B1 TYR 192 HE2 0.05 -0.02 -0.11 -0.04 6.85 6.73 3g75B1 GLU 193 H 0.25 0.13 -0.08 -0.55 8.60 8.35 3g75B1 GLU 193 HA 0.20 0.07 0.34 -0.75 4.29 4.16 3g75B1 THR 194 H 0.06 0.18 -0.51 -0.55 8.28 7.46 3g75B1 THR 194 HA 0.01 0.07 0.41 -0.75 4.39 4.13 3g75B1 THR 194 HB -0.14 0.18 0.17 -0.04 4.32 4.49 3g75B1 THR 194 HG23 -0.19 0.00 -0.12 -0.04 1.22 0.87 3g75B1 LEU 195 H -0.00 0.35 -0.01 -0.55 8.37 8.17 3g75B1 LEU 195 HA 0.28 0.06 0.46 -0.75 4.35 4.39 3g75B1 LEU 195 HB2 -0.16 0.07 0.10 -0.04 1.64 1.61 3g75B1 LEU 195 HB3 -0.08 -0.01 0.01 -0.04 1.64 1.52 3g75B1 LEU 195 HG 0.08 0.04 0.02 -0.04 1.64 1.73 3g75B1 LEU 195 HD13 -0.15 -0.01 -0.08 -0.04 0.93 0.65 3g75B1 LEU 195 HD23 -0.10 0.01 -0.02 -0.04 0.89 0.74 3g75B1 GLN 196 H -0.12 0.46 -0.17 -0.55 8.47 8.09 3g75B1 GLN 196 HA -0.03 0.02 0.32 -0.75 4.36 3.92 3g75B1 GLN 196 HB2 -0.18 -0.02 0.04 -0.04 2.15 1.95 3g75B1 GLN 196 HB3 0.02 0.14 0.11 -0.04 2.02 2.25 3g75B1 GLN 196 HG2 0.08 0.01 -0.28 -0.04 2.40 2.16 3g75B1 GLN 196 HG3 0.20 -0.02 -0.03 -0.04 2.39 2.50 3g75B1 GLN 196 HE21 0.26 0.01 -0.04 -0.04 6.97 7.16 3g75B1 GLN 196 HE22 0.34 -0.02 -0.05 -0.04 7.69 7.92 3g75B1 GLN 197 H 0.01 0.39 -0.21 -0.55 8.47 8.11 3g75B1 GLN 197 HA -0.05 0.05 0.24 -0.75 4.36 3.84 3g75B1 GLN 197 HB2 -0.00 0.06 0.12 -0.04 2.15 2.28 3g75B1 GLN 197 HB3 -0.03 0.06 0.06 -0.04 2.02 2.07 3g75B1 GLN 197 HG2 -0.06 -0.03 0.10 -0.04 2.40 2.37 3g75B1 GLN 197 HG3 -0.02 0.00 0.02 -0.04 2.39 2.35 3g75B1 GLN 197 HE21 -0.04 0.00 -0.03 -0.04 6.97 6.86 3g75B1 GLN 197 HE22 -0.03 -0.01 -0.02 -0.04 7.69 7.60 3g75B1 ARG 198 H 0.01 0.30 -0.19 -0.55 8.46 8.03 3g75B1 ARG 198 HA -0.18 0.10 0.71 -0.75 4.34 4.21 3g75B1 ARG 198 HB2 -0.31 0.03 0.09 -0.04 1.90 1.67 3g75B1 ARG 198 HB3 -0.07 0.07 0.10 -0.04 1.80 1.86 3g75B1 ARG 198 HG2 -2.14 0.00 -0.04 -0.04 1.67 -0.55 3g75B1 ARG 198 HG3 -0.55 -0.05 -0.08 -0.04 1.67 0.95 3g75B1 ARG 198 HD2 -0.34 -0.01 0.06 -0.04 3.22 2.88 3g75B1 ARG 198 HD3 -0.59 0.02 0.00 -0.04 3.22 2.61 3g75B1 ILE 199 H 0.09 0.54 -0.06 -0.55 8.25 8.27 3g75B1 ILE 199 HA 0.08 0.02 0.45 -0.75 4.18 3.98 3g75B1 ILE 199 HB 0.00 0.10 0.08 -0.04 1.89 2.04 3g75B1 ILE 199 HG12 0.21 0.44 0.10 -0.04 1.49 2.21 3g75B1 ILE 199 HG13 0.07 -0.10 -0.10 -0.04 1.21 1.04 3g75B1 ILE 199 HG23 0.10 -0.02 -0.14 -0.04 0.93 0.83 3g75B1 ILE 199 HD13 0.24 -0.02 -0.07 -0.04 0.88 0.98 3g75B1 ARG 200 H -0.22 0.37 -0.35 -0.55 8.46 7.71 3g75B1 ARG 200 HA -0.62 0.07 0.56 -0.75 4.34 3.60 3g75B1 ARG 200 HB2 -0.73 -0.00 0.03 -0.04 1.90 1.15 3g75B1 ARG 200 HB3 -0.23 0.09 0.07 -0.04 1.80 1.70 3g75B1 ARG 200 HG2 -0.10 0.02 -0.22 -0.04 1.67 1.33 3g75B1 ARG 200 HG3 -0.07 -0.05 0.03 -0.04 1.67 1.54 3g75B1 ARG 200 HD2 0.18 -0.01 -0.03 -0.04 3.22 3.33 3g75B1 ARG 200 HD3 0.05 -0.02 -0.03 -0.04 3.22 3.18 3g75B1 GLU 201 H -0.14 0.30 -0.18 -0.55 8.60 8.04 3g75B1 GLU 201 HA -0.07 0.05 0.49 -0.75 4.29 4.01 3g75B1 GLU 201 HB2 -0.13 0.06 0.22 -0.04 2.09 2.20 3g75B1 GLU 201 HB3 -0.08 -0.02 0.00 -0.04 1.99 1.86 3g75B1 GLU 201 HG2 -0.12 -0.04 0.05 -0.04 2.34 2.18 3g75B1 GLU 201 HG3 -0.12 0.24 0.15 -0.04 2.34 2.58 3g75B1 LEU 202 H -0.07 0.59 -0.12 -0.55 8.37 8.22 3g75B1 LEU 202 HA -0.04 0.03 0.35 -0.75 4.35 3.93 3g75B1 LEU 202 HB2 0.01 0.08 0.09 -0.04 1.64 1.79 3g75B1 LEU 202 HB3 0.02 -0.01 -0.05 -0.04 1.64 1.56 3g75B1 LEU 202 HG -0.09 0.22 0.05 -0.04 1.64 1.78 3g75B1 LEU 202 HD13 0.10 -0.03 -0.09 -0.04 0.93 0.86 3g75B1 LEU 202 HD23 -0.06 -0.01 -0.03 -0.04 0.89 0.74 3g75B1 ALA 203 H -0.01 0.32 -0.31 -0.55 8.40 7.85 3g75B1 ALA 203 HA 0.05 0.17 0.43 -0.75 4.34 4.24 3g75B1 ALA 203 HB3 0.20 -0.00 0.07 -0.04 1.41 1.64 3g75B1 PHE 204 H -0.05 0.43 -0.20 -0.55 8.34 7.96 3g75B1 PHE 204 HA -0.99 0.00 0.60 -0.75 4.62 3.47 3g75B1 PHE 204 HB2 -0.72 -0.05 0.10 -0.04 3.15 2.44 3g75B1 PHE 204 HB3 -0.30 0.10 0.14 -0.04 3.06 2.96 3g75B1 PHE 204 HD2 -0.38 0.01 -0.10 -0.04 7.28 6.77 3g75B1 PHE 204 HE2 -0.04 -0.02 -0.02 -0.04 7.38 7.26 3g75B1 PHE 204 HZ -0.04 -0.02 -0.01 -0.04 7.32 7.21 3g75B1 LEU 205 H -0.04 0.39 -0.33 -0.55 8.37 7.85 3g75B1 LEU 205 HA -0.17 0.05 0.57 -0.75 4.35 4.04 3g75B1 LEU 205 HB2 -0.02 0.14 0.13 -0.04 1.64 1.84 3g75B1 LEU 205 HB3 -0.04 -0.06 -0.03 -0.04 1.64 1.47 3g75B1 LEU 205 HG 0.01 -0.04 0.02 -0.04 1.64 1.58 3g75B1 LEU 205 HD13 0.20 0.05 -0.10 -0.04 0.93 1.04 3g75B1 LEU 205 HD23 -0.02 -0.03 -0.09 -0.04 0.89 0.71 3g75B1 ASN 206 H -0.07 0.39 -0.18 -0.55 8.53 8.11 3g75B1 ASN 206 HA -0.06 0.13 0.85 -0.75 4.76 4.92 3g75B1 ASN 206 HB2 -0.01 -0.02 0.17 -0.04 2.88 2.98 3g75B1 ASN 206 HB3 -0.01 -0.02 0.03 -0.04 2.79 2.75 3g75B1 ASN 206 HD21 -0.02 -0.12 -0.06 -0.04 7.03 6.79 3g75B1 ASN 206 HD22 -0.02 0.90 0.19 -0.04 7.74 8.76 3g75B1 LYS 207 H -0.08 0.15 -0.08 -0.55 8.42 7.86 3g75B1 LYS 207 HA 0.04 0.18 0.38 -0.75 4.32 4.16 3g75B1 LYS 207 HB2 -0.05 -0.02 0.07 -0.04 1.87 1.83 3g75B1 LYS 207 HB3 0.02 -0.12 -0.15 -0.04 1.79 1.51 3g75B1 LYS 207 HG2 -0.20 0.05 -0.06 -0.04 1.46 1.21 3g75B1 LYS 207 HG3 -0.25 0.07 -0.10 -0.04 1.46 1.14 3g75B1 LYS 207 HD2 -0.14 -0.02 -0.02 -0.04 1.69 1.47 3g75B1 LYS 207 HD3 -0.03 -0.01 -0.08 -0.04 1.68 1.52 3g75B1 LYS 207 HE2 -0.15 -0.06 0.01 -0.04 2.99 2.75 3g75B1 LYS 207 HE3 -0.33 -0.05 0.03 -0.04 2.99 2.59 3g75B1 GLY 208 H 0.17 0.38 0.28 -0.55 8.43 8.71 3g75B1 GLY 208 HA2 0.18 -0.04 0.40 -0.51 4.01 4.05 3g75B1 GLY 208 HA3 0.07 0.17 0.91 -0.51 4.01 4.65 3g75B1 ILE 209 H 0.05 0.34 -0.09 -0.55 8.25 8.01 3g75B1 ILE 209 HA -0.03 0.15 0.74 -0.75 4.18 4.28 3g75B1 ILE 209 HB 0.03 0.01 0.04 -0.04 1.89 1.93 3g75B1 ILE 209 HG12 0.02 0.13 -0.14 -0.04 1.49 1.46 3g75B1 ILE 209 HG13 0.02 -0.07 -0.07 -0.04 1.21 1.04 3g75B1 ILE 209 HG23 0.01 -0.02 -0.27 -0.04 0.93 0.60 3g75B1 ILE 209 HD13 0.01 -0.01 -0.18 -0.04 0.88 0.65 3g75B1 GLN 210 H -0.19 0.48 0.27 -0.55 8.47 8.49 3g75B1 GLN 210 HA -0.12 0.31 1.08 -0.75 4.36 4.87 3g75B1 GLN 210 HB2 -0.80 0.02 0.13 -0.04 2.15 1.46 3g75B1 GLN 210 HB3 -0.21 -0.04 0.27 -0.04 2.02 2.00 3g75B1 GLN 210 HG2 -0.04 -0.03 -0.28 -0.04 2.40 2.01 3g75B1 GLN 210 HG3 -0.07 0.01 -0.11 -0.04 2.39 2.17 3g75B1 GLN 210 HE21 0.00 -0.02 -0.08 -0.04 6.97 6.83 3g75B1 GLN 210 HE22 -0.00 -0.03 -0.14 -0.04 7.69 7.48 3g75B1 ILE 211 H 0.11 0.63 0.37 -0.55 8.25 8.80 3g75B1 ILE 211 HA 0.05 0.30 1.13 -0.75 4.18 4.91 3g75B1 ILE 211 HB 0.19 -0.03 0.14 -0.04 1.89 2.15 3g75B1 ILE 211 HG12 0.06 0.00 -0.25 -0.04 1.49 1.26 3g75B1 ILE 211 HG13 0.08 0.09 -0.41 -0.04 1.21 0.93 3g75B1 ILE 211 HG23 0.10 -0.02 -0.09 -0.04 0.93 0.87 3g75B1 ILE 211 HD13 0.07 -0.00 -0.10 -0.04 0.88 0.80 3g75B1 THR 212 H 0.05 0.58 0.45 -0.55 8.28 8.81 3g75B1 THR 212 HA 0.07 0.30 1.21 -0.75 4.39 5.21 3g75B1 THR 212 HB 0.02 -0.05 0.15 -0.04 4.32 4.39 3g75B1 THR 212 HG23 0.01 -0.00 -0.21 -0.04 1.22 0.98 3g75B1 LEU 213 H 0.08 0.69 0.43 -0.55 8.37 9.03 3g75B1 LEU 213 HA 0.01 0.31 1.14 -0.75 4.35 5.06 3g75B1 LEU 213 HB2 0.02 0.02 0.00 -0.04 1.64 1.64 3g75B1 LEU 213 HB3 0.07 -0.01 0.17 -0.04 1.64 1.83 3g75B1 LEU 213 HG -0.14 -0.08 -0.30 -0.04 1.64 1.09 3g75B1 LEU 213 HD13 -0.11 -0.00 -0.03 -0.04 0.93 0.75 3g75B1 LEU 213 HD23 -0.40 -0.01 -0.13 -0.04 0.89 0.31 3g75B1 ARG 214 H 0.02 0.56 0.35 -0.55 8.46 8.85 3g75B1 ARG 214 HA 0.13 0.28 1.05 -0.75 4.34 5.04 3g75B1 ARG 214 HB2 0.03 0.00 -0.13 -0.04 1.90 1.76 3g75B1 ARG 214 HB3 0.02 -0.05 0.09 -0.04 1.80 1.82 3g75B1 ARG 214 HG2 0.03 -0.12 -0.31 -0.04 1.67 1.23 3g75B1 ARG 214 HG3 0.04 0.34 0.03 -0.04 1.67 2.04 3g75B1 ARG 214 HD2 0.01 0.00 -0.13 -0.04 3.22 3.06 3g75B1 ARG 214 HD3 0.01 -0.00 -0.10 -0.04 3.22 3.09 3g75B1 ASP 215 H 0.24 0.34 0.19 -0.55 8.40 8.62 3g75B1 ASP 215 HA 0.11 0.08 1.04 -0.75 4.63 5.11 3g75B1 ASP 215 HB2 0.53 -0.02 0.12 -0.04 2.71 3.30 3g75B1 ASP 215 HB3 0.08 0.00 0.28 -0.04 2.70 3.02 3g75B1 GLU 216 H 0.04 0.55 0.19 -0.55 8.60 8.84 3g75B1 GLU 216 HA 0.02 0.24 0.90 -0.75 4.29 4.69 3g75B1 GLU 216 HB2 0.00 0.02 0.07 -0.04 2.09 2.14 3g75B1 GLU 216 HB3 0.01 0.02 -0.17 -0.04 1.99 1.81 3g75B1 GLU 216 HG2 0.01 0.17 -0.11 -0.04 2.34 2.36 3g75B1 GLU 216 HG3 -0.00 -0.09 -0.06 -0.04 2.34 2.14 3g75B1 ARG 217 H 0.04 0.07 -0.05 -0.55 8.46 7.96 3g75B1 ARG 217 HA 0.03 0.01 0.43 -0.75 4.34 4.06 3g75B1 ARG 217 HB2 0.05 -0.02 0.09 -0.04 1.90 1.97 3g75B1 ARG 217 HB3 0.05 -0.01 0.03 -0.04 1.80 1.82 3g75B1 ARG 217 HG2 0.07 0.09 -0.02 -0.04 1.67 1.77 3g75B1 ARG 217 HG3 0.07 0.04 -0.02 -0.04 1.67 1.71 3g75B1 ARG 217 HD2 0.08 -0.01 0.04 -0.04 3.22 3.29 3g75B1 ARG 217 HD3 0.11 0.02 0.05 -0.04 3.22 3.36 3g75B1 ASP 218 H 0.01 0.14 -0.16 -0.55 8.40 7.84 3g75B1 ASP 218 HA 0.01 0.16 0.95 -0.75 4.63 5.00 3g75B1 ASP 218 HB2 0.01 0.01 0.03 -0.04 2.71 2.71 3g75B1 ASP 218 HB3 -0.00 0.13 0.14 -0.04 2.70 2.92 3g75B1 GLU 219 H 0.00 0.20 0.09 -0.55 8.60 8.35 3g75B1 GLU 219 HA -0.00 0.12 0.16 -0.75 4.29 3.81 3g75B1 GLU 219 HB2 -0.01 0.04 0.07 -0.04 2.09 2.14 3g75B1 GLU 219 HB3 -0.00 0.03 0.11 -0.04 1.99 2.08 3g75B1 GLU 219 HG2 -0.00 -0.05 -0.11 -0.04 2.34 2.13 3g75B1 GLU 219 HG3 -0.00 0.03 -0.15 -0.04 2.34 2.18 3g75B1 GLU 220 H -0.00 0.02 -0.31 -0.55 8.60 7.76 3g75B1 GLU 220 HA -0.01 0.16 0.49 -0.75 4.29 4.18 3g75B1 GLU 220 HB2 -0.00 -0.02 -0.00 -0.04 2.09 2.02 3g75B1 GLU 220 HB3 -0.01 0.04 0.09 -0.04 1.99 2.07 3g75B1 GLU 220 HG2 -0.00 0.06 -0.02 -0.04 2.34 2.33 3g75B1 GLU 220 HG3 -0.00 -0.11 -0.02 -0.04 2.34 2.16 3g75B1 ASN 221 H -0.01 0.31 -0.45 -0.55 8.53 7.84 3g75B1 ASN 221 HA -0.01 0.12 0.70 -0.75 4.76 4.81 3g75B1 ASN 221 HB2 -0.01 0.08 -0.22 -0.04 2.88 2.68 3g75B1 ASN 221 HB3 -0.02 -0.09 0.01 -0.04 2.79 2.65 3g75B1 ASN 221 HD21 -0.04 -0.01 -0.05 -0.04 7.03 6.89 3g75B1 ASN 221 HD22 -0.02 -0.04 -0.03 -0.04 7.74 7.60 3g75B1 VAL 222 H -0.01 0.15 0.07 -0.55 8.24 7.90 3g75B1 VAL 222 HA -0.01 0.20 0.78 -0.75 4.13 4.35 3g75B1 VAL 222 HB -0.01 -0.02 0.07 -0.04 2.12 2.12 3g75B1 VAL 222 HG13 0.01 0.01 -0.18 -0.04 0.97 0.77 3g75B1 VAL 222 HG23 -0.00 0.00 -0.07 -0.04 0.95 0.84 3g75B1 ARG 223 H -0.00 0.49 0.38 -0.55 8.46 8.78 3g75B1 ARG 223 HA -0.03 0.18 0.88 -0.75 4.34 4.61 3g75B1 ARG 223 HB2 -0.14 0.02 0.24 -0.04 1.90 1.98 3g75B1 ARG 223 HB3 -0.13 -0.08 -0.00 -0.04 1.80 1.56 3g75B1 ARG 223 HG2 -0.15 0.10 -0.05 -0.04 1.67 1.54 3g75B1 ARG 223 HG3 -0.37 -0.03 0.01 -0.04 1.67 1.24 3g75B1 ARG 223 HD2 -0.23 -0.03 -0.04 -0.04 3.22 2.88 3g75B1 ARG 223 HD3 -0.12 0.06 0.02 -0.04 3.22 3.14 3g75B1 GLU 224 H 0.04 0.25 0.19 -0.55 8.60 8.53 3g75B1 GLU 224 HA 0.12 0.27 0.83 -0.75 4.29 4.76 3g75B1 GLU 224 HB2 0.03 -0.01 -0.27 -0.04 2.09 1.80 3g75B1 GLU 224 HB3 0.01 -0.02 0.01 -0.04 1.99 1.95 3g75B1 GLU 224 HG2 0.02 0.03 -0.13 -0.04 2.34 2.22 3g75B1 GLU 224 HG3 0.04 -0.01 -0.01 -0.04 2.34 2.32 3g75B1 ASP 225 H 0.10 0.64 0.37 -0.55 8.40 8.96 3g75B1 ASP 225 HA -0.06 0.18 0.94 -0.75 4.63 4.94 3g75B1 ASP 225 HB2 0.18 -0.06 0.14 -0.04 2.71 2.93 3g75B1 ASP 225 HB3 -0.10 0.05 -0.00 -0.04 2.70 2.61 3g75B1 SER 226 H -0.28 0.22 0.15 -0.55 8.46 8.00 3g75B1 SER 226 HA -0.11 0.27 1.13 -0.75 4.49 5.03 3g75B1 SER 226 HB2 -0.09 -0.04 0.01 -0.04 3.95 3.79 3g75B1 SER 226 HB3 -0.07 0.03 -0.08 -0.04 3.93 3.77 3g75B1 TYR 227 H 0.10 0.67 0.32 -0.55 8.29 8.84 3g75B1 TYR 227 HA 0.07 0.13 0.97 -0.75 4.56 4.98 3g75B1 TYR 227 HB2 0.15 0.04 0.19 -0.04 3.06 3.40 3g75B1 TYR 227 HB3 0.29 0.00 0.04 -0.04 2.98 3.27 3g75B1 TYR 227 HD2 0.12 0.11 -0.04 -0.04 7.15 7.30 3g75B1 TYR 227 HE2 0.07 -0.02 -0.10 -0.04 6.85 6.76 3g75B1 HIS 228 H 0.10 0.19 0.00 -0.55 8.41 8.16 3g75B1 HIS 228 HA 0.12 0.28 0.72 -0.75 4.63 5.00 3g75B1 HIS 228 HB2 0.02 -0.03 -0.25 -0.04 3.26 2.96 3g75B1 HIS 228 HB3 -0.01 -0.02 0.11 -0.04 3.20 3.23 3g75B1 HIS 228 HD2 0.01 -0.05 -0.04 -0.04 6.97 6.84 3g75B1 HIS 228 HE1 0.03 0.09 -0.08 -0.04 7.75 7.75 3g75B1 TYR 229 H 0.49 0.27 0.04 -0.55 8.29 8.53 3g75B1 TYR 229 HA 0.07 0.08 0.71 -0.75 4.56 4.66 3g75B1 TYR 229 HB2 0.07 0.19 0.13 -0.04 3.06 3.40 3g75B1 TYR 229 HB3 0.02 0.03 0.01 -0.04 2.98 3.00 3g75B1 TYR 229 HD2 0.15 0.00 -0.09 -0.04 7.15 7.18 3g75B1 TYR 229 HE2 0.27 -0.01 -0.02 -0.04 6.85 7.05 3g75B1 GLU 230 H 0.05 0.15 0.08 -0.55 8.60 8.34 3g75B1 GLU 230 HA 0.01 0.18 0.28 -0.75 4.29 4.01