============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 11 1.000 16.883 6.192 -8.634 -99.200 -91.000 TYR 16 0.840 19.882 -2.480 -5.803 -99.200 -91.000 TYR 19 0.840 25.709 6.468 -5.997 -99.200 -91.000 HIS 20 0.900 33.828 3.710 0.178 -99.200 -91.000 HIS 38 0.900 25.579 17.764 7.868 -99.200 -91.000 PHE 39 1.000 22.403 11.204 4.189 -99.200 -91.000 TRP 54 1.040 20.445 1.146 4.863 -99.200 -91.000 TRP6 54 1.020 18.540 0.622 6.147 -99.200 -91.000 TYR 64 0.840 18.769 1.630 10.766 -99.200 -91.000 PHE 73 1.000 2.532 13.255 5.032 -99.200 -91.000 TYR 78 0.840 19.236 9.739 13.677 -99.200 -91.000 HIS 97 0.900 3.627 19.482 -8.811 -99.200 -91.000 TRP 98 1.040 12.031 17.801 -10.811 -99.200 -91.000 TRP6 98 1.020 13.444 15.993 -10.260 -99.200 -91.000 HIS 100 0.900 16.819 20.969 -1.496 -99.200 -91.000 TYR 104 0.840 20.934 19.498 10.043 -99.200 -91.000 TRP 138 1.040 23.468 -0.159 -0.912 -99.200 -91.000 TRP6 138 1.020 23.807 -1.296 -2.946 -99.200 -91.000 HIS 149 0.900 13.106 -9.652 6.518 -99.200 -91.000 TYR 155 0.840 12.340 2.729 6.326 -99.200 -91.000 PHE 159 1.000 12.044 7.659 -5.621 -99.200 -91.000 HIS 174 0.900 30.867 13.601 -10.065 -99.200 -91.000 HIS 187 0.900 19.877 9.898 -18.616 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1pz7A1 LYS 7 HA 0.18 -0.05 0.32 -0.75 4.32 4.02 1pz7A1 LYS 7 HB2 0.07 -0.05 -0.16 -0.04 1.87 1.69 1pz7A1 LYS 7 HB3 0.15 0.35 -0.07 -0.04 1.79 2.18 1pz7A1 LYS 7 HG2 0.08 0.10 -0.10 -0.04 1.46 1.50 1pz7A1 LYS 7 HG3 0.12 -0.06 -0.02 -0.04 1.46 1.46 1pz7A1 LYS 7 HD2 0.03 -0.16 -0.11 -0.04 1.69 1.41 1pz7A1 LYS 7 HD3 0.02 0.03 -0.23 -0.04 1.68 1.45 1pz7A1 LYS 7 HE2 0.06 -0.01 -0.05 -0.04 2.99 2.96 1pz7A1 LYS 7 HE3 0.02 0.03 -0.17 -0.04 2.99 2.84 1pz7A1 ALA 8 H 0.03 0.26 0.16 -0.55 8.40 8.30 1pz7A1 ALA 8 HA -0.09 0.05 0.63 -0.75 4.34 4.17 1pz7A1 ALA 8 HB3 -0.67 0.00 0.13 -0.04 1.41 0.84 1pz7A1 ALA 9 H -0.05 0.61 -0.04 -0.55 8.40 8.37 1pz7A1 ALA 9 HA -0.07 0.04 0.32 -0.75 4.34 3.88 1pz7A1 ALA 9 HB3 -0.04 0.04 -0.06 -0.04 1.41 1.31 1pz7A1 GLY 10 H -0.04 0.11 -0.06 -0.55 8.43 7.89 1pz7A1 GLY 10 HA2 -0.02 0.01 0.38 -0.51 4.01 3.87 1pz7A1 GLY 10 HA3 -0.02 0.11 0.44 -0.51 4.01 4.03 1pz7A1 ASP 11 H -0.03 0.13 0.04 -0.55 8.40 7.99 1pz7A1 ASP 11 HA -0.04 0.01 0.36 -0.75 4.63 4.21 1pz7A1 ASP 11 HB2 -0.05 0.32 0.03 -0.04 2.71 2.97 1pz7A1 ASP 11 HB3 -0.06 -0.04 0.18 -0.04 2.70 2.74 1pz7A1 ALA 12 H -0.09 0.25 0.22 -0.55 8.40 8.24 1pz7A1 ALA 12 HA -0.06 0.00 0.55 -0.75 4.34 4.07 1pz7A1 ALA 12 HB3 -0.18 0.01 0.04 -0.04 1.41 1.24 1pz7A1 GLU 13 H -0.02 0.11 0.18 -0.55 8.60 8.32 1pz7A1 GLU 13 HA -0.01 0.08 0.44 -0.75 4.29 4.04 1pz7A1 GLU 13 HB2 -0.01 0.06 0.11 -0.04 2.09 2.21 1pz7A1 GLU 13 HB3 0.04 -0.06 0.23 -0.04 1.99 2.15 1pz7A1 GLU 13 HG2 0.12 -0.06 -0.15 -0.04 2.34 2.21 1pz7A1 GLU 13 HG3 0.07 -0.00 -0.05 -0.04 2.34 2.31 1pz7A1 ALA 14 H 0.08 0.16 -0.27 -0.55 8.40 7.82 1pz7A1 ALA 14 HA 0.21 0.25 0.88 -0.75 4.34 4.92 1pz7A1 ALA 14 HB3 0.33 0.04 -0.05 -0.04 1.41 1.69 1pz7A1 ILE 15 H 0.32 0.64 0.37 -0.55 8.25 9.03 1pz7A1 ILE 15 HA 0.17 0.15 0.96 -0.75 4.18 4.70 1pz7A1 ILE 15 HB 0.29 -0.01 0.14 -0.04 1.89 2.27 1pz7A1 ILE 15 HG12 0.20 0.00 -0.13 -0.04 1.49 1.52 1pz7A1 ILE 15 HG13 0.15 -0.05 -0.09 -0.04 1.21 1.18 1pz7A1 ILE 15 HG23 -0.22 0.04 -0.07 -0.04 0.93 0.64 1pz7A1 ILE 15 HD13 0.18 0.01 -0.15 -0.04 0.88 0.88 1pz7A1 ALA 16 H 0.00 0.72 0.27 -0.55 8.40 8.85 1pz7A1 ALA 16 HA 0.22 0.19 0.81 -0.75 4.34 4.81 1pz7A1 ALA 16 HB3 0.04 -0.02 -0.27 -0.04 1.41 1.12 1pz7A1 PHE 17 H 0.28 0.73 0.39 -0.55 8.34 9.19 1pz7A1 PHE 17 HA 0.09 0.07 0.90 -0.75 4.62 4.92 1pz7A1 PHE 17 HB2 0.14 -0.07 0.02 -0.04 3.15 3.20 1pz7A1 PHE 17 HB3 0.18 0.20 0.10 -0.04 3.06 3.49 1pz7A1 PHE 17 HD2 0.26 0.19 -0.13 -0.04 7.28 7.55 1pz7A1 PHE 17 HE2 0.22 0.01 -0.20 -0.04 7.38 7.37 1pz7A1 PHE 17 HZ 0.20 -0.06 -0.16 -0.04 7.32 7.26 1pz7A1 ASP 18 H 0.07 0.07 0.22 -0.55 8.40 8.22 1pz7A1 ASP 18 HA -0.00 0.22 0.88 -0.75 4.63 4.97 1pz7A1 ASP 18 HB2 -0.00 0.05 0.17 -0.04 2.71 2.89 1pz7A1 ASP 18 HB3 -0.00 0.04 0.01 -0.04 2.70 2.70 1pz7A1 GLY 19 H 0.12 0.23 -0.07 -0.55 8.43 8.17 1pz7A1 GLY 19 HA2 0.05 0.17 0.01 -0.51 4.01 3.73 1pz7A1 GLY 19 HA3 0.02 0.20 0.78 -0.51 4.01 4.49 1pz7A1 ARG 20 H 0.08 -0.01 -0.21 -0.55 8.46 7.76 1pz7A1 ARG 20 HA 0.10 0.26 0.87 -0.75 4.34 4.80 1pz7A1 ARG 20 HB2 0.06 -0.04 -0.02 -0.04 1.90 1.86 1pz7A1 ARG 20 HB3 0.09 0.02 0.09 -0.04 1.80 1.96 1pz7A1 ARG 20 HG2 0.03 0.05 -0.02 -0.04 1.67 1.70 1pz7A1 ARG 20 HG3 0.03 -0.01 -0.21 -0.04 1.67 1.43 1pz7A1 ARG 20 HD2 0.03 0.00 -0.01 -0.04 3.22 3.20 1pz7A1 ARG 20 HD3 0.01 0.01 -0.03 -0.04 3.22 3.18 1pz7A1 THR 21 H 0.16 -0.20 0.08 -0.55 8.28 7.77 1pz7A1 THR 21 HA 0.11 0.10 0.57 -0.75 4.39 4.41 1pz7A1 THR 21 HB 0.27 -0.01 0.23 -0.04 4.32 4.76 1pz7A1 THR 21 HG23 -0.25 0.08 -0.01 -0.04 1.22 0.99 1pz7A1 TYR 22 H 0.04 0.28 0.18 -0.55 8.29 8.24 1pz7A1 TYR 22 HA 0.43 0.34 0.50 -0.75 4.56 5.08 1pz7A1 TYR 22 HB2 0.33 0.05 -0.33 -0.04 3.06 3.07 1pz7A1 TYR 22 HB3 0.19 0.10 -0.50 -0.04 2.98 2.72 1pz7A1 TYR 22 HD2 0.24 0.10 -0.39 -0.04 7.15 7.06 1pz7A1 TYR 22 HE2 -0.36 -0.03 -0.10 -0.04 6.85 6.32 1pz7A1 MET 23 H 0.49 0.49 0.28 -0.55 8.47 9.18 1pz7A1 MET 23 HA -0.06 0.16 1.04 -0.75 4.52 4.91 1pz7A1 MET 23 HB2 0.41 -0.04 0.10 -0.04 2.15 2.58 1pz7A1 MET 23 HB3 -0.49 0.05 -0.06 -0.04 2.03 1.49 1pz7A1 MET 23 HG2 0.11 0.11 -0.01 -0.04 2.63 2.79 1pz7A1 MET 23 HG3 -0.05 0.02 -0.02 -0.04 2.56 2.46 1pz7A1 MET 23 HE3 -0.08 0.01 -0.12 -0.04 2.10 1.86 1pz7A1 GLU 24 H -0.41 0.05 0.26 -0.55 8.60 7.95 1pz7A1 GLU 24 HA -1.03 0.34 1.07 -0.75 4.29 3.91 1pz7A1 GLU 24 HB2 -2.15 0.01 0.04 -0.04 2.09 -0.05 1pz7A1 GLU 24 HB3 -0.62 -0.14 0.15 -0.04 1.99 1.34 1pz7A1 GLU 24 HG2 -0.61 0.09 -0.16 -0.04 2.34 1.63 1pz7A1 GLU 24 HG3 -1.69 0.01 0.06 -0.04 2.34 0.67 1pz7A1 TYR 25 H -0.28 0.78 0.49 -0.55 8.29 8.73 1pz7A1 TYR 25 HA -0.09 0.24 0.83 -0.75 4.56 4.78 1pz7A1 TYR 25 HB2 -0.05 -0.02 -0.04 -0.04 3.06 2.91 1pz7A1 TYR 25 HB3 -0.02 0.00 0.04 -0.04 2.98 2.97 1pz7A1 TYR 25 HD2 -0.01 0.09 -0.27 -0.04 7.15 6.93 1pz7A1 TYR 25 HE2 0.09 0.01 -0.19 -0.04 6.85 6.71 1pz7A1 HIS 26 H 0.17 0.27 0.19 -0.55 8.41 8.50 1pz7A1 HIS 26 HA 0.00 0.24 0.80 -0.75 4.63 4.92 1pz7A1 HIS 26 HB2 -0.03 0.01 -0.10 -0.04 3.26 3.10 1pz7A1 HIS 26 HB3 -0.00 -0.00 0.04 -0.04 3.20 3.19 1pz7A1 HIS 26 HD2 0.01 -0.09 -0.83 -0.04 6.97 6.01 1pz7A1 HIS 26 HE1 0.02 0.09 0.01 -0.04 7.75 7.82 1pz7A1 ASN 27 H -0.42 0.46 0.15 -0.55 8.53 8.17 1pz7A1 ASN 27 HA -0.04 -0.02 0.42 -0.75 4.76 4.36 1pz7A1 ASN 27 HB2 -0.08 0.03 0.13 -0.04 2.88 2.92 1pz7A1 ASN 27 HB3 -0.15 0.03 0.20 -0.04 2.79 2.82 1pz7A1 ASN 27 HD21 -0.03 0.01 0.01 -0.04 7.03 6.99 1pz7A1 ASN 27 HD22 -0.04 0.03 0.04 -0.04 7.74 7.73 1pz7A1 ALA 28 H 0.06 0.27 0.50 -0.55 8.40 8.68 1pz7A1 ALA 28 HA 0.16 0.15 0.56 -0.75 4.34 4.45 1pz7A1 ALA 28 HB3 0.09 -0.02 0.13 -0.04 1.41 1.57 1pz7A1 VAL 29 H 0.00 0.13 -0.17 -0.55 8.24 7.66 1pz7A1 VAL 29 HA -0.01 0.14 0.92 -0.75 4.13 4.43 1pz7A1 VAL 29 HB -0.04 0.03 0.04 -0.04 2.12 2.11 1pz7A1 VAL 29 HG13 -0.03 0.02 -0.03 -0.04 0.97 0.89 1pz7A1 VAL 29 HG23 -0.05 -0.01 -0.16 -0.04 0.95 0.69 1pz7A1 THR 30 H -0.01 0.09 0.09 -0.55 8.28 7.90 1pz7A1 THR 30 HA -0.01 0.25 0.59 -0.75 4.39 4.46 1pz7A1 THR 30 HB -0.00 0.03 0.08 -0.04 4.32 4.38 1pz7A1 THR 30 HG23 -0.01 -0.18 0.05 -0.04 1.22 1.04 1pz7A1 LYS 31 H -0.02 0.13 0.12 -0.55 8.42 8.10 1pz7A1 LYS 31 HA -0.03 0.04 0.27 -0.75 4.32 3.85 1pz7A1 LYS 31 HB2 -0.02 -0.01 -0.06 -0.04 1.87 1.74 1pz7A1 LYS 31 HB3 -0.03 0.02 0.19 -0.04 1.79 1.93 1pz7A1 LYS 31 HG2 -0.01 -0.04 0.11 -0.04 1.46 1.47 1pz7A1 LYS 31 HG3 -0.02 -0.00 0.04 -0.04 1.46 1.44 1pz7A1 LYS 31 HD2 -0.01 -0.00 0.04 -0.04 1.69 1.67 1pz7A1 LYS 31 HD3 -0.02 -0.00 0.05 -0.04 1.68 1.67 1pz7A1 LYS 31 HE2 -0.03 0.07 0.11 -0.04 2.99 3.10 1pz7A1 LYS 31 HE3 -0.02 -0.00 0.04 -0.04 2.99 2.97 1pz7A1 SER 32 H -0.04 0.06 -1.17 -0.55 8.46 6.77 1pz7A1 SER 32 HA -0.07 0.05 0.21 -0.75 4.49 3.93 1pz7A1 SER 32 HB2 -0.08 -0.19 0.17 -0.04 3.95 3.81 1pz7A1 SER 32 HB3 -0.06 0.17 0.17 -0.04 3.93 4.17 1pz7A1 ALA 40 HA 0.02 -0.02 0.16 -0.75 4.34 3.75 1pz7A1 ALA 40 HB3 0.01 -0.03 0.02 -0.04 1.41 1.38 1pz7A1 GLU 41 H 0.02 0.10 0.03 -0.55 8.60 8.20 1pz7A1 GLU 41 HA 0.01 -0.05 0.37 -0.75 4.29 3.87 1pz7A1 GLU 41 HB2 0.01 -0.09 -0.11 -0.04 2.09 1.86 1pz7A1 GLU 41 HB3 0.01 0.39 0.62 -0.04 1.99 2.97 1pz7A1 GLU 41 HG2 0.01 -0.01 -0.19 -0.04 2.34 2.11 1pz7A1 GLU 41 HG3 0.01 -0.06 -0.01 -0.04 2.34 2.24 1pz7A1 PRO 42 HA 0.04 0.19 0.71 -0.51 4.44 4.87 1pz7A1 PRO 42 HB2 0.03 -0.19 0.23 -0.04 2.28 2.31 1pz7A1 PRO 42 HB3 0.02 0.04 0.02 -0.04 2.02 2.07 1pz7A1 PRO 42 HG2 0.02 -0.02 0.07 -0.04 2.03 2.06 1pz7A1 PRO 42 HG3 0.02 0.02 0.05 -0.04 2.03 2.07 1pz7A1 PRO 42 HD2 0.02 0.18 -0.18 -0.04 3.68 3.66 1pz7A1 PRO 42 HD3 0.02 0.15 0.27 -0.04 3.65 4.05 1pz7A1 SER 43 H 0.03 0.05 0.11 -0.55 8.46 8.10 1pz7A1 SER 43 HA 0.03 -0.04 0.34 -0.75 4.49 4.07 1pz7A1 SER 43 HB2 0.02 -0.00 -0.06 -0.04 3.95 3.87 1pz7A1 SER 43 HB3 0.03 0.16 0.03 -0.04 3.93 4.11 1pz7A1 GLU 44 H 0.03 0.31 0.25 -0.55 8.60 8.64 1pz7A1 GLU 44 HA 0.04 0.11 0.58 -0.75 4.29 4.28 1pz7A1 GLU 44 HB2 0.04 0.08 -0.53 -0.04 2.09 1.64 1pz7A1 GLU 44 HB3 0.03 -0.04 -0.19 -0.04 1.99 1.75 1pz7A1 GLU 44 HG2 0.03 0.11 0.07 -0.04 2.34 2.50 1pz7A1 GLU 44 HG3 0.04 -0.08 -0.18 -0.04 2.34 2.08 1pz7A1 LYS 45 H 0.03 0.42 0.36 -0.55 8.42 8.68 1pz7A1 LYS 45 HA 0.01 0.16 0.83 -0.75 4.32 4.57 1pz7A1 LYS 45 HB2 0.00 -0.04 0.10 -0.04 1.87 1.89 1pz7A1 LYS 45 HB3 -0.00 -0.04 -0.02 -0.04 1.79 1.69 1pz7A1 LYS 45 HG2 0.02 0.01 -0.37 -0.04 1.46 1.08 1pz7A1 LYS 45 HG3 -0.01 -0.03 -0.18 -0.04 1.46 1.20 1pz7A1 LYS 45 HD2 0.01 0.08 -0.00 -0.04 1.69 1.74 1pz7A1 LYS 45 HD3 0.03 0.05 -0.21 -0.04 1.68 1.51 1pz7A1 LYS 45 HE2 0.01 0.01 -0.94 -0.04 2.99 2.03 1pz7A1 LYS 45 HE3 -0.00 -0.00 -0.17 -0.04 2.99 2.77 1pz7A1 ALA 46 H 0.00 0.22 0.04 -0.55 8.40 8.12 1pz7A1 ALA 46 HA -0.00 0.17 0.74 -0.75 4.34 4.50 1pz7A1 ALA 46 HB3 0.00 0.01 0.03 -0.04 1.41 1.41 1pz7A1 LEU 47 H -0.01 0.67 0.04 -0.55 8.37 8.52 1pz7A1 LEU 47 HA -0.02 0.04 0.49 -0.75 4.35 4.11 1pz7A1 LEU 47 HB2 -0.04 -0.01 0.17 -0.04 1.64 1.72 1pz7A1 LEU 47 HB3 -0.04 0.16 0.08 -0.04 1.64 1.79 1pz7A1 LEU 47 HG -0.02 -0.00 -0.03 -0.04 1.64 1.55 1pz7A1 LEU 47 HD13 -0.03 0.01 -0.00 -0.04 0.93 0.86 1pz7A1 LEU 47 HD23 -0.03 0.01 -0.05 -0.04 0.89 0.78 1pz7A1 GLN 48 H -0.03 0.16 0.28 -0.55 8.47 8.34 1pz7A1 GLN 48 HA -0.03 0.14 0.58 -0.75 4.36 4.29 1pz7A1 GLN 48 HB2 -0.02 0.00 0.15 -0.04 2.15 2.24 1pz7A1 GLN 48 HB3 -0.02 -0.02 0.11 -0.04 2.02 2.05 1pz7A1 GLN 48 HG2 -0.02 0.05 0.14 -0.04 2.40 2.54 1pz7A1 GLN 48 HG3 -0.01 0.01 0.07 -0.04 2.39 2.41 1pz7A1 GLN 48 HE21 -0.01 -0.02 0.01 -0.04 6.97 6.90 1pz7A1 GLN 48 HE22 -0.02 -0.02 0.09 -0.04 7.69 7.70 1pz7A1 SER 49 H -0.04 0.10 0.01 -0.55 8.46 7.98 1pz7A1 SER 49 HA -0.09 0.26 0.81 -0.75 4.49 4.72 1pz7A1 SER 49 HB2 0.05 0.15 0.23 -0.04 3.95 4.34 1pz7A1 SER 49 HB3 0.02 -0.05 -0.08 -0.04 3.93 3.77 1pz7A1 ASN 50 H -0.19 0.64 0.39 -0.55 8.53 8.82 1pz7A1 ASN 50 HA -0.21 0.10 0.64 -0.75 4.76 4.53 1pz7A1 ASN 50 HB2 -0.21 -0.02 0.01 -0.04 2.88 2.62 1pz7A1 ASN 50 HB3 -0.55 -0.00 -0.05 -0.04 2.79 2.15 1pz7A1 ASN 50 HD21 -0.02 -0.02 -0.06 -0.04 7.03 6.88 1pz7A1 ASN 50 HD22 -0.12 -0.04 0.04 -0.04 7.74 7.58 1pz7A1 HIS 51 H -0.40 0.19 0.20 -0.55 8.41 7.86 1pz7A1 HIS 51 HA -0.14 0.27 1.04 -0.75 4.63 5.04 1pz7A1 HIS 51 HB2 -0.18 -0.16 0.14 -0.04 3.26 3.02 1pz7A1 HIS 51 HB3 -0.12 0.05 0.00 -0.04 3.20 3.09 1pz7A1 HIS 51 HD2 -0.23 0.02 -0.04 -0.04 6.97 6.66 1pz7A1 HIS 51 HE1 -0.12 0.02 -0.08 -0.04 7.75 7.53 1pz7A1 PHE 52 H 0.05 0.87 0.42 -0.55 8.34 9.12 1pz7A1 PHE 52 HA 0.02 0.29 1.12 -0.75 4.62 5.30 1pz7A1 PHE 52 HB2 -0.01 -0.02 0.09 -0.04 3.15 3.17 1pz7A1 PHE 52 HB3 -0.02 0.00 -0.02 -0.04 3.06 2.98 1pz7A1 PHE 52 HD2 -0.02 0.05 -0.10 -0.04 7.28 7.17 1pz7A1 PHE 52 HE2 -0.04 0.01 -0.15 -0.04 7.38 7.16 1pz7A1 PHE 52 HZ -0.03 0.02 -0.09 -0.04 7.32 7.17 1pz7A1 GLU 53 H 0.13 0.57 0.42 -0.55 8.60 9.17 1pz7A1 GLU 53 HA -0.02 0.37 1.01 -0.75 4.29 4.90 1pz7A1 GLU 53 HB2 0.08 -0.09 0.14 -0.04 2.09 2.18 1pz7A1 GLU 53 HB3 0.11 0.04 0.10 -0.04 1.99 2.20 1pz7A1 GLU 53 HG2 0.09 0.08 0.23 -0.04 2.34 2.69 1pz7A1 GLU 53 HG3 0.10 -0.08 -0.21 -0.04 2.34 2.11 1pz7A1 LEU 54 H -0.21 0.56 0.46 -0.55 8.37 8.64 1pz7A1 LEU 54 HA 0.05 0.40 0.55 -0.75 4.35 4.60 1pz7A1 LEU 54 HB2 0.03 0.03 0.09 -0.04 1.64 1.75 1pz7A1 LEU 54 HB3 0.01 0.05 -0.05 -0.04 1.64 1.61 1pz7A1 LEU 54 HG -0.04 0.00 -0.30 -0.04 1.64 1.25 1pz7A1 LEU 54 HD13 -0.10 -0.00 -0.16 -0.04 0.93 0.62 1pz7A1 LEU 54 HD23 -0.05 0.00 -0.24 -0.04 0.89 0.56 1pz7A1 SER 55 H 0.12 0.60 0.31 -0.55 8.46 8.94 1pz7A1 SER 55 HA 0.20 0.33 1.02 -0.75 4.49 5.29 1pz7A1 SER 55 HB2 0.08 -0.01 0.03 -0.04 3.95 4.00 1pz7A1 SER 55 HB3 0.38 -0.02 -0.09 -0.04 3.93 4.16 1pz7A1 ILE 56 H 0.27 0.60 0.37 -0.55 8.25 8.95 1pz7A1 ILE 56 HA 0.36 0.29 1.05 -0.75 4.18 5.12 1pz7A1 ILE 56 HB 0.06 0.04 0.07 -0.04 1.89 2.02 1pz7A1 ILE 56 HG12 0.03 0.04 -0.01 -0.04 1.49 1.50 1pz7A1 ILE 56 HG13 0.05 0.02 -0.25 -0.04 1.21 0.98 1pz7A1 ILE 56 HG23 -0.09 -0.02 -0.24 -0.04 0.93 0.53 1pz7A1 ILE 56 HD13 -0.06 -0.02 -0.17 -0.04 0.88 0.60 1pz7A1 LYS 57 H -0.12 0.59 0.29 -0.55 8.42 8.63 1pz7A1 LYS 57 HA -0.32 0.24 0.63 -0.75 4.32 4.12 1pz7A1 LYS 57 HB2 -2.25 -0.01 -0.30 -0.04 1.87 -0.72 1pz7A1 LYS 57 HB3 -1.13 -0.07 0.03 -0.04 1.79 0.58 1pz7A1 LYS 57 HG2 -0.40 -0.02 -0.31 -0.04 1.46 0.68 1pz7A1 LYS 57 HG3 -0.53 -0.01 -0.57 -0.04 1.46 0.31 1pz7A1 LYS 57 HD2 -1.29 -0.04 -0.13 -0.04 1.69 0.20 1pz7A1 LYS 57 HD3 -0.58 -0.06 -0.12 -0.04 1.68 0.88 1pz7A1 LYS 57 HE2 -0.17 -0.04 -0.07 -0.04 2.99 2.67 1pz7A1 LYS 57 HE3 -0.16 0.27 -0.02 -0.04 2.99 3.04 1pz7A1 THR 58 H -0.14 0.28 0.20 -0.55 8.28 8.07 1pz7A1 THR 58 HA -0.15 0.11 0.79 -0.75 4.39 4.37 1pz7A1 THR 58 HB 0.17 0.06 -0.37 -0.04 4.32 4.14 1pz7A1 THR 58 HG23 0.05 0.02 -0.26 -0.04 1.22 1.00 1pz7A1 GLU 59 H -0.14 0.22 0.20 -0.55 8.60 8.34 1pz7A1 GLU 59 HA -0.11 0.27 0.79 -0.75 4.29 4.49 1pz7A1 GLU 59 HB2 -0.10 -0.00 0.03 -0.04 2.09 1.97 1pz7A1 GLU 59 HB3 -0.08 0.03 0.13 -0.04 1.99 2.03 1pz7A1 GLU 59 HG2 -0.10 0.11 -0.08 -0.04 2.34 2.23 1pz7A1 GLU 59 HG3 -0.11 -0.10 -0.19 -0.04 2.34 1.89 1pz7A1 ALA 60 H -0.11 0.03 0.07 -0.55 8.40 7.85 1pz7A1 ALA 60 HA -0.07 0.07 0.50 -0.75 4.34 4.09 1pz7A1 ALA 60 HB3 -0.07 0.06 0.07 -0.04 1.41 1.43 1pz7A1 THR 61 H -0.05 0.16 0.20 -0.55 8.28 8.04 1pz7A1 THR 61 HA -0.07 0.15 0.80 -0.75 4.39 4.52 1pz7A1 THR 61 HB -0.04 -0.08 0.04 -0.04 4.32 4.20 1pz7A1 THR 61 HG23 -0.07 0.05 -0.05 -0.04 1.22 1.11 1pz7A1 GLN 62 H -0.03 0.18 0.03 -0.55 8.47 8.11 1pz7A1 GLN 62 HA -0.02 0.30 0.63 -0.75 4.36 4.51 1pz7A1 GLN 62 HB2 -0.02 0.05 0.01 -0.04 2.15 2.15 1pz7A1 GLN 62 HB3 -0.01 -0.03 0.05 -0.04 2.02 1.99 1pz7A1 GLN 62 HG2 -0.02 -0.15 -0.48 -0.04 2.40 1.71 1pz7A1 GLN 62 HG3 -0.01 0.05 -0.08 -0.04 2.39 2.31 1pz7A1 GLN 62 HE21 0.02 -0.00 0.06 -0.04 6.97 7.00 1pz7A1 GLN 62 HE22 0.00 0.05 -0.05 -0.04 7.69 7.65 1pz7A1 GLY 63 H -0.06 0.46 0.18 -0.55 8.43 8.47 1pz7A1 GLY 63 HA2 0.01 0.26 0.25 -0.51 4.01 4.01 1pz7A1 GLY 63 HA3 0.10 -0.00 0.37 -0.51 4.01 3.97 1pz7A1 LEU 64 H 0.01 0.78 0.16 -0.55 8.37 8.77 1pz7A1 LEU 64 HA -0.12 -0.01 0.69 -0.75 4.35 4.17 1pz7A1 LEU 64 HB2 -0.01 0.10 -0.00 -0.04 1.64 1.69 1pz7A1 LEU 64 HB3 0.02 -0.00 -0.07 -0.04 1.64 1.55 1pz7A1 LEU 64 HG 0.12 -0.11 -0.53 -0.04 1.64 1.07 1pz7A1 LEU 64 HD13 0.28 0.02 -0.10 -0.04 0.93 1.10 1pz7A1 LEU 64 HD23 0.07 0.03 -0.29 -0.04 0.89 0.66 1pz7A1 ILE 65 H -0.11 0.48 0.34 -0.55 8.25 8.42 1pz7A1 ILE 65 HA -0.40 0.08 0.66 -0.75 4.18 3.77 1pz7A1 ILE 65 HB -0.18 0.05 -0.07 -0.04 1.89 1.64 1pz7A1 ILE 65 HG12 -0.59 0.00 -0.20 -0.04 1.49 0.67 1pz7A1 ILE 65 HG13 -0.21 0.01 -0.24 -0.04 1.21 0.73 1pz7A1 ILE 65 HG23 -0.33 -0.01 -0.20 -0.04 0.93 0.35 1pz7A1 ILE 65 HD13 -0.15 -0.01 -0.27 -0.04 0.88 0.41 1pz7A1 LEU 66 H -0.04 0.53 0.31 -0.55 8.37 8.63 1pz7A1 LEU 66 HA 0.08 0.37 0.96 -0.75 4.35 5.01 1pz7A1 LEU 66 HB2 -0.14 0.06 -0.21 -0.04 1.64 1.31 1pz7A1 LEU 66 HB3 -0.23 -0.12 -0.00 -0.04 1.64 1.25 1pz7A1 LEU 66 HG -0.11 0.09 -0.07 -0.04 1.64 1.51 1pz7A1 LEU 66 HD13 -0.33 -0.01 -0.12 -0.04 0.93 0.43 1pz7A1 LEU 66 HD23 -0.70 -0.01 -0.31 -0.04 0.89 -0.17 1pz7A1 TRP 67 H 0.33 0.64 0.33 -0.55 7.97 8.73 1pz7A1 TRP 67 HA 0.08 0.17 0.93 -0.75 4.62 5.05 1pz7A1 TRP 67 HB2 0.09 0.03 -0.14 -0.04 3.23 3.17 1pz7A1 TRP 67 HB3 0.20 -0.04 0.09 -0.04 3.23 3.44 1pz7A1 TRP 67 HD1 0.23 -0.04 -0.48 -0.04 7.22 6.89 1pz7A1 TRP 67 HE1 0.11 -0.13 -0.22 -0.04 10.20 9.92 1pz7A1 TRP 67 HE3 0.11 -0.02 -0.10 -0.04 7.59 7.54 1pz7A1 TRP 67 HZ2 -0.34 0.01 -0.15 -0.04 7.44 6.91 1pz7A1 TRP 67 HZ3 -0.17 -0.05 -0.10 -0.04 7.13 6.77 1pz7A1 TRP 67 HH2 -0.82 -0.02 -0.14 -0.04 7.19 6.17 1pz7A1 SER 68 H -0.20 0.78 0.34 -0.55 8.46 8.83 1pz7A1 SER 68 HA 0.24 0.25 1.11 -0.75 4.49 5.34 1pz7A1 SER 68 HB2 0.19 -0.05 0.02 -0.04 3.95 4.07 1pz7A1 SER 68 HB3 0.12 0.02 0.20 -0.04 3.93 4.23 1pz7A1 GLY 69 H 0.32 0.57 0.21 -0.55 8.43 8.99 1pz7A1 GLY 69 HA2 0.18 -0.05 0.35 -0.51 4.01 3.98 1pz7A1 GLY 69 HA3 0.30 0.26 0.68 -0.51 4.01 4.74 1pz7A1 LYS 70 H 0.21 0.26 0.26 -0.55 8.42 8.60 1pz7A1 LYS 70 HA 0.20 0.04 0.48 -0.75 4.32 4.29 1pz7A1 LYS 70 HB2 0.13 -0.07 0.24 -0.04 1.87 2.13 1pz7A1 LYS 70 HB3 0.15 -0.03 0.15 -0.04 1.79 2.02 1pz7A1 LYS 70 HG2 0.11 -0.01 -0.04 -0.04 1.46 1.47 1pz7A1 LYS 70 HG3 0.13 0.03 0.14 -0.04 1.46 1.72 1pz7A1 LYS 70 HD2 0.09 -0.00 0.04 -0.04 1.69 1.77 1pz7A1 LYS 70 HD3 0.08 -0.01 0.01 -0.04 1.68 1.72 1pz7A1 LYS 70 HE2 0.07 -0.03 -0.00 -0.04 2.99 2.99 1pz7A1 LYS 70 HE3 0.08 0.03 0.02 -0.04 2.99 3.08 1pz7A1 GLY 71 H 0.35 0.14 -0.21 -0.55 8.43 8.16 1pz7A1 GLY 71 HA2 0.08 0.10 0.18 -0.51 4.01 3.86 1pz7A1 GLY 71 HA3 0.06 0.09 0.42 -0.51 4.01 4.07 1pz7A1 LEU 72 H 0.12 -0.03 -0.15 -0.55 8.37 7.77 1pz7A1 LEU 72 HA 0.00 0.21 0.81 -0.75 4.35 4.62 1pz7A1 LEU 72 HB2 0.07 -0.06 0.02 -0.04 1.64 1.63 1pz7A1 LEU 72 HB3 0.03 -0.05 0.09 -0.04 1.64 1.68 1pz7A1 LEU 72 HG 0.07 0.04 -0.20 -0.04 1.64 1.51 1pz7A1 LEU 72 HD13 0.05 0.01 -0.02 -0.04 0.93 0.93 1pz7A1 LEU 72 HD23 0.02 0.04 -0.04 -0.04 0.89 0.87 1pz7A1 GLU 73 H -0.01 0.16 0.10 -0.55 8.60 8.30 1pz7A1 GLU 73 HA -0.01 0.11 0.28 -0.75 4.29 3.91 1pz7A1 GLU 73 HB2 -0.00 -0.04 0.10 -0.04 2.09 2.10 1pz7A1 GLU 73 HB3 -0.00 0.07 -0.03 -0.04 1.99 1.99 1pz7A1 GLU 73 HG2 -0.08 0.03 -0.07 -0.04 2.34 2.18 1pz7A1 GLU 73 HG3 -0.07 -0.04 -0.00 -0.04 2.34 2.19 1pz7A1 ARG 74 H 0.04 -0.01 -0.26 -0.55 8.46 7.67 1pz7A1 ARG 74 HA 0.06 0.17 0.47 -0.75 4.34 4.29 1pz7A1 ARG 74 HB2 0.05 0.04 0.07 -0.04 1.90 2.01 1pz7A1 ARG 74 HB3 0.04 -0.03 0.02 -0.04 1.80 1.79 1pz7A1 ARG 74 HG2 0.05 -0.12 -0.06 -0.04 1.67 1.50 1pz7A1 ARG 74 HG3 0.06 0.04 -0.37 -0.04 1.67 1.36 1pz7A1 ARG 74 HD2 0.04 0.03 -0.05 -0.04 3.22 3.20 1pz7A1 ARG 74 HD3 0.03 -0.00 -0.03 -0.04 3.22 3.18 1pz7A1 SER 75 H 0.12 0.31 -0.50 -0.55 8.46 7.85 1pz7A1 SER 75 HA 0.12 0.00 0.24 -0.75 4.49 4.10 1pz7A1 SER 75 HB2 0.23 0.16 0.11 -0.04 3.95 4.41 1pz7A1 SER 75 HB3 0.21 0.05 0.17 -0.04 3.93 4.32 1pz7A1 ASP 76 H 0.10 0.07 0.25 -0.55 8.40 8.28 1pz7A1 ASP 76 HA 0.02 0.15 0.63 -0.75 4.63 4.68 1pz7A1 ASP 76 HB2 0.04 0.07 0.18 -0.04 2.71 2.96 1pz7A1 ASP 76 HB3 -0.04 0.05 0.20 -0.04 2.70 2.87 1pz7A1 TYR 77 H -0.37 0.44 0.37 -0.55 8.29 8.17 1pz7A1 TYR 77 HA -0.14 0.22 0.67 -0.75 4.56 4.55 1pz7A1 TYR 77 HB2 -1.27 -0.00 -0.03 -0.04 3.06 1.71 1pz7A1 TYR 77 HB3 0.02 0.07 -0.21 -0.04 2.98 2.81 1pz7A1 TYR 77 HD2 -0.32 0.16 -0.32 -0.04 7.15 6.63 1pz7A1 TYR 77 HE2 -0.10 0.01 -0.20 -0.04 6.85 6.52 1pz7A1 ILE 78 H -0.23 0.62 0.35 -0.55 8.25 8.44 1pz7A1 ILE 78 HA -0.05 0.29 0.78 -0.75 4.18 4.44 1pz7A1 ILE 78 HB -0.07 0.02 0.00 -0.04 1.89 1.81 1pz7A1 ILE 78 HG12 0.12 -0.05 -0.21 -0.04 1.49 1.32 1pz7A1 ILE 78 HG13 0.13 0.09 -0.03 -0.04 1.21 1.36 1pz7A1 ILE 78 HG23 0.12 -0.01 -0.01 -0.04 0.93 0.98 1pz7A1 ILE 78 HD13 -0.10 -0.01 -0.17 -0.04 0.88 0.56 1pz7A1 ALA 79 H -0.03 0.63 0.36 -0.55 8.40 8.81 1pz7A1 ALA 79 HA -0.17 0.14 0.93 -0.75 4.34 4.49 1pz7A1 ALA 79 HB3 -0.14 0.01 0.01 -0.04 1.41 1.25 1pz7A1 LEU 80 H -0.08 0.51 0.37 -0.55 8.37 8.62 1pz7A1 LEU 80 HA -0.02 0.36 1.03 -0.75 4.35 4.97 1pz7A1 LEU 80 HB2 -0.16 -0.11 0.11 -0.04 1.64 1.44 1pz7A1 LEU 80 HB3 -0.10 0.01 -0.01 -0.04 1.64 1.50 1pz7A1 LEU 80 HG -0.29 -0.04 -0.22 -0.04 1.64 1.05 1pz7A1 LEU 80 HD13 -0.15 -0.00 -0.15 -0.04 0.93 0.59 1pz7A1 LEU 80 HD23 -0.02 0.04 -0.09 -0.04 0.89 0.78 1pz7A1 ALA 81 H -0.05 0.61 0.36 -0.55 8.40 8.77 1pz7A1 ALA 81 HA -0.16 0.01 0.87 -0.75 4.34 4.30 1pz7A1 ALA 81 HB3 -0.55 0.03 -0.23 -0.04 1.41 0.61 1pz7A1 ILE 82 H -0.09 0.83 0.21 -0.55 8.25 8.64 1pz7A1 ILE 82 HA -0.02 0.19 0.54 -0.75 4.18 4.13 1pz7A1 ILE 82 HB 0.00 -0.08 -0.20 -0.04 1.89 1.57 1pz7A1 ILE 82 HG12 -0.01 -0.00 -0.27 -0.04 1.49 1.16 1pz7A1 ILE 82 HG13 -0.03 -0.02 -0.24 -0.04 1.21 0.88 1pz7A1 ILE 82 HG23 -0.02 0.06 -0.54 -0.04 0.93 0.38 1pz7A1 ILE 82 HD13 0.15 0.03 -0.27 -0.04 0.88 0.75 1pz7A1 VAL 83 H 0.03 0.83 0.13 -0.55 8.24 8.69 1pz7A1 VAL 83 HA -0.00 0.04 0.94 -0.75 4.13 4.36 1pz7A1 VAL 83 HB 0.07 0.10 0.06 -0.04 2.12 2.31 1pz7A1 VAL 83 HG13 0.08 -0.01 -0.13 -0.04 0.97 0.87 1pz7A1 VAL 83 HG23 -0.00 -0.02 -0.31 -0.04 0.95 0.58 1pz7A1 ASP 84 H 0.03 0.15 0.17 -0.55 8.40 8.20 1pz7A1 ASP 84 HA 0.03 0.02 0.35 -0.75 4.63 4.28 1pz7A1 ASP 84 HB2 0.12 0.16 -0.04 -0.04 2.71 2.91 1pz7A1 ASP 84 HB3 0.10 0.01 0.21 -0.04 2.70 2.99 1pz7A1 GLY 85 H -0.02 0.42 -0.22 -0.55 8.43 8.06 1pz7A1 GLY 85 HA2 -0.16 -0.02 0.30 -0.51 4.01 3.62 1pz7A1 GLY 85 HA3 -0.26 0.13 0.45 -0.51 4.01 3.81 1pz7A1 PHE 86 H 0.12 0.40 -0.37 -0.55 8.34 7.93 1pz7A1 PHE 86 HA -0.00 0.14 0.91 -0.75 4.62 4.91 1pz7A1 PHE 86 HB2 -0.00 0.05 -0.03 -0.04 3.15 3.13 1pz7A1 PHE 86 HB3 -0.00 0.10 -0.06 -0.04 3.06 3.05 1pz7A1 PHE 86 HD2 0.00 0.02 -0.36 -0.04 7.28 6.90 1pz7A1 PHE 86 HE2 0.00 0.06 -0.27 -0.04 7.38 7.13 1pz7A1 PHE 86 HZ 0.00 -0.03 -0.07 -0.04 7.32 7.18 1pz7A1 VAL 87 H 0.11 0.16 0.13 -0.55 8.24 8.09 1pz7A1 VAL 87 HA 0.02 0.21 0.67 -0.75 4.13 4.27 1pz7A1 VAL 87 HB 0.04 -0.07 0.09 -0.04 2.12 2.15 1pz7A1 VAL 87 HG13 -0.01 -0.01 -0.16 -0.04 0.97 0.75 1pz7A1 VAL 87 HG23 -0.01 0.00 -0.06 -0.04 0.95 0.85 1pz7A1 GLN 88 H 0.02 0.62 0.46 -0.55 8.47 9.02 1pz7A1 GLN 88 HA 0.04 0.19 0.83 -0.75 4.36 4.67 1pz7A1 GLN 88 HB2 0.05 0.08 -0.01 -0.04 2.15 2.23 1pz7A1 GLN 88 HB3 0.06 0.01 -0.08 -0.04 2.02 1.96 1pz7A1 GLN 88 HG2 0.06 0.01 -0.03 -0.04 2.40 2.41 1pz7A1 GLN 88 HG3 0.15 -0.03 -0.25 -0.04 2.39 2.22 1pz7A1 GLN 88 HE21 0.16 -0.01 -0.12 -0.04 6.97 6.97 1pz7A1 GLN 88 HE22 0.33 -0.01 -0.18 -0.04 7.69 7.78 1pz7A1 MET 89 H 0.03 0.62 0.35 -0.55 8.47 8.92 1pz7A1 MET 89 HA 0.05 0.36 1.12 -0.75 4.52 5.29 1pz7A1 MET 89 HB2 0.04 -0.06 0.00 -0.04 2.15 2.09 1pz7A1 MET 89 HB3 0.05 -0.03 0.07 -0.04 2.03 2.08 1pz7A1 MET 89 HG2 0.23 -0.02 -0.29 -0.04 2.63 2.51 1pz7A1 MET 89 HG3 0.09 0.09 -0.00 -0.04 2.56 2.71 1pz7A1 MET 89 HE3 0.06 0.04 -0.13 -0.04 2.10 2.03 1pz7A1 MET 90 H 0.09 0.56 0.34 -0.55 8.47 8.91 1pz7A1 MET 90 HA -0.10 0.40 0.99 -0.75 4.52 5.06 1pz7A1 MET 90 HB2 0.09 -0.02 -0.20 -0.04 2.15 1.98 1pz7A1 MET 90 HB3 0.10 -0.05 0.01 -0.04 2.03 2.04 1pz7A1 MET 90 HG2 0.13 -0.05 -0.23 -0.04 2.63 2.43 1pz7A1 MET 90 HG3 -0.05 0.15 -0.02 -0.04 2.56 2.59 1pz7A1 MET 90 HE3 -0.02 0.00 -0.13 -0.04 2.10 1.91 1pz7A1 TYR 91 H -0.43 0.43 0.30 -0.55 8.29 8.04 1pz7A1 TYR 91 HA -0.49 0.22 0.55 -0.75 4.56 4.08 1pz7A1 TYR 91 HB2 -0.23 0.06 0.08 -0.04 3.06 2.93 1pz7A1 TYR 91 HB3 -0.16 -0.05 0.18 -0.04 2.98 2.90 1pz7A1 TYR 91 HD2 -0.10 -0.06 -0.31 -0.04 7.15 6.64 1pz7A1 TYR 91 HE2 -0.07 0.00 -0.12 -0.04 6.85 6.62 1pz7A1 ASP 92 H -0.79 0.53 0.25 -0.55 8.40 7.84 1pz7A1 ASP 92 HA -0.19 0.20 0.59 -0.75 4.63 4.49 1pz7A1 ASP 92 HB2 -0.32 0.05 -0.10 -0.04 2.71 2.30 1pz7A1 ASP 92 HB3 -0.53 0.07 0.12 -0.04 2.70 2.31 1pz7A1 LEU 93 H -0.04 0.23 0.02 -0.55 8.37 8.04 1pz7A1 LEU 93 HA -0.05 0.14 0.78 -0.75 4.35 4.47 1pz7A1 LEU 93 HB2 0.01 0.04 -0.21 -0.04 1.64 1.43 1pz7A1 LEU 93 HB3 -0.01 0.12 -0.16 -0.04 1.64 1.54 1pz7A1 LEU 93 HG 0.15 -0.05 -0.27 -0.04 1.64 1.42 1pz7A1 LEU 93 HD13 -0.00 0.07 -0.43 -0.04 0.93 0.53 1pz7A1 LEU 93 HD23 -0.09 0.00 -0.41 -0.04 0.89 0.36 1pz7A1 GLY 94 H -0.04 -0.04 -0.08 -0.55 8.43 7.72 1pz7A1 GLY 94 HA2 0.00 0.08 0.27 -0.51 4.01 3.85 1pz7A1 GLY 94 HA3 0.00 0.24 0.90 -0.51 4.01 4.64 1pz7A1 SER 95 H -0.02 -0.00 0.04 -0.55 8.46 7.93 1pz7A1 SER 95 HA -0.01 0.20 0.79 -0.75 4.49 4.72 1pz7A1 SER 95 HB2 -0.01 0.13 -0.02 -0.04 3.95 4.01 1pz7A1 SER 95 HB3 -0.01 0.14 0.09 -0.04 3.93 4.12 1pz7A1 LYS 96 H -0.02 -0.09 -0.06 -0.55 8.42 7.70 1pz7A1 LYS 96 HA -0.02 0.02 0.37 -0.75 4.32 3.94 1pz7A1 LYS 96 HB2 -0.03 0.23 0.43 -0.04 1.87 2.46 1pz7A1 LYS 96 HB3 -0.02 0.03 0.17 -0.04 1.79 1.94 1pz7A1 LYS 96 HG2 -0.00 -0.10 -0.21 -0.04 1.46 1.10 1pz7A1 LYS 96 HG3 -0.01 0.08 -0.31 -0.04 1.46 1.18 1pz7A1 LYS 96 HD2 -0.01 0.02 0.00 -0.04 1.69 1.66 1pz7A1 LYS 96 HD3 -0.00 0.00 0.01 -0.04 1.68 1.65 1pz7A1 LYS 96 HE2 0.00 -0.01 -0.02 -0.04 2.99 2.92 1pz7A1 LYS 96 HE3 0.00 -0.02 -0.04 -0.04 2.99 2.89 1pz7A1 PRO 97 HA -0.19 0.34 0.84 -0.51 4.44 4.92 1pz7A1 PRO 97 HB2 -0.06 0.01 -0.10 -0.04 2.28 2.10 1pz7A1 PRO 97 HB3 -0.08 0.01 -0.07 -0.04 2.02 1.84 1pz7A1 PRO 97 HG2 0.04 0.07 -0.00 -0.04 2.03 2.11 1pz7A1 PRO 97 HG3 0.04 -0.01 -0.02 -0.04 2.03 2.00 1pz7A1 PRO 97 HD2 -0.02 0.15 0.18 -0.04 3.68 3.95 1pz7A1 PRO 97 HD3 -0.00 0.03 0.20 -0.04 3.65 3.84 1pz7A1 VAL 98 H -0.38 0.42 0.39 -0.55 8.24 8.12 1pz7A1 VAL 98 HA -0.16 0.16 0.71 -0.75 4.13 4.09 1pz7A1 VAL 98 HB -0.25 0.05 -0.08 -0.04 2.12 1.80 1pz7A1 VAL 98 HG13 -0.84 0.00 -0.18 -0.04 0.97 -0.10 1pz7A1 VAL 98 HG23 -0.15 0.00 -0.18 -0.04 0.95 0.58 1pz7A1 VAL 99 H -0.11 0.25 0.12 -0.55 8.24 7.94 1pz7A1 VAL 99 HA -0.09 0.34 1.06 -0.75 4.13 4.68 1pz7A1 VAL 99 HB -0.04 -0.02 0.06 -0.04 2.12 2.08 1pz7A1 VAL 99 HG13 0.01 -0.01 -0.25 -0.04 0.97 0.68 1pz7A1 VAL 99 HG23 -0.02 -0.01 -0.20 -0.04 0.95 0.68 1pz7A1 LEU 100 H -0.03 0.75 0.26 -0.55 8.37 8.79 1pz7A1 LEU 100 HA -0.04 0.16 0.78 -0.75 4.35 4.50 1pz7A1 LEU 100 HB2 -0.00 -0.06 0.06 -0.04 1.64 1.59 1pz7A1 LEU 100 HB3 -0.02 0.02 -0.16 -0.04 1.64 1.44 1pz7A1 LEU 100 HG -0.04 0.08 -0.34 -0.04 1.64 1.30 1pz7A1 LEU 100 HD13 -0.08 -0.03 -0.52 -0.04 0.93 0.27 1pz7A1 LEU 100 HD23 -0.01 0.06 -0.34 -0.04 0.89 0.55 1pz7A1 ARG 101 H -0.03 0.23 0.08 -0.55 8.46 8.19 1pz7A1 ARG 101 HA 0.01 0.14 1.02 -0.75 4.34 4.76 1pz7A1 ARG 101 HB2 -0.02 -0.06 -0.11 -0.04 1.90 1.67 1pz7A1 ARG 101 HB3 -0.06 -0.00 0.08 -0.04 1.80 1.78 1pz7A1 ARG 101 HG2 -0.12 0.19 -0.14 -0.04 1.67 1.56 1pz7A1 ARG 101 HG3 0.02 0.01 -0.06 -0.04 1.67 1.60 1pz7A1 ARG 101 HD2 0.00 -0.06 -0.08 -0.04 3.22 3.04 1pz7A1 ARG 101 HD3 -0.06 -0.03 -0.05 -0.04 3.22 3.03 1pz7A1 SER 102 H 0.04 0.63 0.32 -0.55 8.46 8.90 1pz7A1 SER 102 HA 0.02 0.06 0.52 -0.75 4.49 4.33 1pz7A1 SER 102 HB2 0.06 -0.02 0.09 -0.04 3.95 4.04 1pz7A1 SER 102 HB3 0.13 0.12 0.21 -0.04 3.93 4.34 1pz7A1 THR 103 H 0.04 0.11 0.20 -0.55 8.28 8.08 1pz7A1 THR 103 HA -0.22 0.24 0.83 -0.75 4.39 4.49 1pz7A1 THR 103 HB -0.02 0.01 0.19 -0.04 4.32 4.45 1pz7A1 THR 103 HG23 -0.05 0.02 0.02 -0.04 1.22 1.16 1pz7A1 VAL 104 H 0.21 -0.00 -0.08 -0.55 8.24 7.82 1pz7A1 VAL 104 HA 0.17 0.25 0.80 -0.75 4.13 4.59 1pz7A1 VAL 104 HB 0.10 -0.10 0.09 -0.04 2.12 2.17 1pz7A1 VAL 104 HG13 0.06 0.03 -0.21 -0.04 0.97 0.81 1pz7A1 VAL 104 HG23 0.08 0.02 -0.02 -0.04 0.95 0.99 1pz7A1 PRO 105 HA -0.64 0.20 0.55 -0.51 4.44 4.04 1pz7A1 PRO 105 HB2 -0.10 -0.02 0.07 -0.04 2.28 2.19 1pz7A1 PRO 105 HB3 -0.24 0.03 0.07 -0.04 2.02 1.84 1pz7A1 PRO 105 HG2 0.02 0.01 0.09 -0.04 2.03 2.11 1pz7A1 PRO 105 HG3 0.02 0.08 0.06 -0.04 2.03 2.15 1pz7A1 PRO 105 HD2 0.06 0.04 0.23 -0.04 3.68 3.97 1pz7A1 PRO 105 HD3 0.23 0.37 0.32 -0.04 3.65 4.53 1pz7A1 ILE 106 H -0.27 0.48 0.32 -0.55 8.25 8.23 1pz7A1 ILE 106 HA -0.04 0.15 0.63 -0.75 4.18 4.17 1pz7A1 ILE 106 HB -0.04 -0.02 0.05 -0.04 1.89 1.85 1pz7A1 ILE 106 HG12 -0.01 -0.05 -0.12 -0.04 1.49 1.27 1pz7A1 ILE 106 HG13 -0.01 -0.03 -0.06 -0.04 1.21 1.07 1pz7A1 ILE 106 HG23 -0.08 0.05 -0.26 -0.04 0.93 0.60 1pz7A1 ILE 106 HD13 0.02 0.01 -0.00 -0.04 0.88 0.86 1pz7A1 ASN 107 H -0.16 0.12 -0.08 -0.55 8.53 7.87 1pz7A1 ASN 107 HA -0.09 0.17 0.27 -0.75 4.76 4.35 1pz7A1 ASN 107 HB2 -0.10 0.05 -0.01 -0.04 2.88 2.77 1pz7A1 ASN 107 HB3 -0.10 0.25 -0.29 -0.04 2.79 2.61 1pz7A1 ASN 107 HD21 -0.12 -0.01 -0.03 -0.04 7.03 6.83 1pz7A1 ASN 107 HD22 -0.10 0.04 -0.01 -0.04 7.74 7.64 1pz7A1 THR 108 H -0.13 0.38 -0.40 -0.55 8.28 7.58 1pz7A1 THR 108 HA -0.22 0.14 0.56 -0.75 4.39 4.12 1pz7A1 THR 108 HB -0.47 -0.01 0.07 -0.04 4.32 3.88 1pz7A1 THR 108 HG23 -0.09 0.01 -0.15 -0.04 1.22 0.95 1pz7A1 ASN 109 H -0.17 0.45 -0.01 -0.55 8.53 8.26 1pz7A1 ASN 109 HA -0.17 -0.13 0.21 -0.75 4.76 3.91 1pz7A1 ASN 109 HB2 -0.13 0.02 -0.28 -0.04 2.88 2.44 1pz7A1 ASN 109 HB3 -0.11 0.12 0.16 -0.04 2.79 2.92 1pz7A1 ASN 109 HD21 -0.05 -0.03 -0.03 -0.04 7.03 6.87 1pz7A1 ASN 109 HD22 -0.04 0.04 -0.00 -0.04 7.74 7.70 1pz7A1 HIS 110 H -0.11 0.13 -0.19 -0.55 8.41 7.69 1pz7A1 HIS 110 HA -0.07 0.15 0.83 -0.75 4.63 4.78 1pz7A1 HIS 110 HB2 0.02 -0.03 -0.05 -0.04 3.26 3.16 1pz7A1 HIS 110 HB3 0.06 0.02 0.02 -0.04 3.20 3.26 1pz7A1 HIS 110 HD2 -0.03 0.22 -0.23 -0.04 6.97 6.88 1pz7A1 HIS 110 HE1 0.01 -0.05 -0.01 -0.04 7.75 7.66 1pz7A1 TRP 111 H 0.22 0.11 0.09 -0.55 7.97 7.84 1pz7A1 TRP 111 HA 0.09 0.18 0.41 -0.75 4.62 4.55 1pz7A1 TRP 111 HB2 0.06 -0.02 0.12 -0.04 3.23 3.35 1pz7A1 TRP 111 HB3 0.08 -0.01 -0.09 -0.04 3.23 3.16 1pz7A1 TRP 111 HD1 0.05 0.01 0.01 -0.04 7.22 7.25 1pz7A1 TRP 111 HE1 0.06 0.06 -0.06 -0.04 10.20 10.22 1pz7A1 TRP 111 HE3 0.09 0.00 -0.41 -0.04 7.59 7.23 1pz7A1 TRP 111 HZ2 0.09 0.06 -0.14 -0.04 7.44 7.41 1pz7A1 TRP 111 HZ3 0.10 0.15 -0.41 -0.04 7.13 6.93 1pz7A1 TRP 111 HH2 0.13 -0.07 -0.42 -0.04 7.19 6.80 1pz7A1 THR 112 H 0.31 0.55 0.45 -0.55 8.28 9.05 1pz7A1 THR 112 HA 0.19 0.09 0.97 -0.75 4.39 4.90 1pz7A1 THR 112 HB 0.10 -0.04 0.19 -0.04 4.32 4.53 1pz7A1 THR 112 HG23 0.09 0.01 0.00 -0.04 1.22 1.29 1pz7A1 HIS 113 H 0.23 0.11 0.25 -0.55 8.41 8.46 1pz7A1 HIS 113 HA 0.10 0.22 0.84 -0.75 4.63 5.04 1pz7A1 HIS 113 HB2 0.07 -0.02 0.11 -0.04 3.26 3.39 1pz7A1 HIS 113 HB3 0.07 -0.02 0.15 -0.04 3.20 3.35 1pz7A1 HIS 113 HD2 0.06 0.04 -0.14 -0.04 6.97 6.88 1pz7A1 HIS 113 HE1 0.04 -0.02 -0.03 -0.04 7.75 7.69 1pz7A1 ILE 114 H -0.43 0.70 0.49 -0.55 8.25 8.46 1pz7A1 ILE 114 HA -0.06 0.21 1.02 -0.75 4.18 4.60 1pz7A1 ILE 114 HB -0.09 -0.03 0.08 -0.04 1.89 1.81 1pz7A1 ILE 114 HG12 -0.01 -0.01 -0.08 -0.04 1.49 1.35 1pz7A1 ILE 114 HG13 -0.01 0.03 -0.44 -0.04 1.21 0.75 1pz7A1 ILE 114 HG23 -0.03 -0.02 -0.23 -0.04 0.93 0.61 1pz7A1 ILE 114 HD13 -0.05 -0.02 -0.15 -0.04 0.88 0.62 1pz7A1 LYS 115 H -0.01 0.71 0.31 -0.55 8.42 8.87 1pz7A1 LYS 115 HA 0.02 0.25 1.08 -0.75 4.32 4.91 1pz7A1 LYS 115 HB2 0.12 -0.02 0.04 -0.04 1.87 1.97 1pz7A1 LYS 115 HB3 0.11 0.03 0.19 -0.04 1.79 2.08 1pz7A1 LYS 115 HG2 0.24 -0.03 -0.26 -0.04 1.46 1.37 1pz7A1 LYS 115 HG3 0.18 0.02 0.02 -0.04 1.46 1.64 1pz7A1 LYS 115 HD2 0.17 0.02 -0.04 -0.04 1.69 1.80 1pz7A1 LYS 115 HD3 0.21 -0.02 -0.08 -0.04 1.68 1.75 1pz7A1 LYS 115 HE2 0.15 -0.02 -0.03 -0.04 2.99 3.04 1pz7A1 LYS 115 HE3 0.22 0.01 -0.03 -0.04 2.99 3.14 1pz7A1 ALA 116 H 0.13 0.79 0.34 -0.55 8.40 9.10 1pz7A1 ALA 116 HA -0.01 0.35 1.13 -0.75 4.34 5.06 1pz7A1 ALA 116 HB3 0.10 -0.03 -0.03 -0.04 1.41 1.42 1pz7A1 TYR 117 H -0.28 0.63 0.40 -0.55 8.29 8.49 1pz7A1 TYR 117 HA -0.28 0.16 0.82 -0.75 4.56 4.51 1pz7A1 TYR 117 HB2 -1.07 0.10 0.24 -0.04 3.06 2.29 1pz7A1 TYR 117 HB3 -0.34 -0.07 -0.03 -0.04 2.98 2.50 1pz7A1 TYR 117 HD2 -0.11 -0.00 -0.29 -0.04 7.15 6.71 1pz7A1 TYR 117 HE2 0.00 0.01 -0.14 -0.04 6.85 6.68 1pz7A1 ARG 118 H -0.26 0.63 0.41 -0.55 8.46 8.69 1pz7A1 ARG 118 HA -0.16 0.37 0.95 -0.75 4.34 4.74 1pz7A1 ARG 118 HB2 -0.48 -0.04 -0.16 -0.04 1.90 1.19 1pz7A1 ARG 118 HB3 -0.32 -0.15 0.05 -0.04 1.80 1.33 1pz7A1 ARG 118 HG2 -0.28 0.06 -0.40 -0.04 1.67 1.01 1pz7A1 ARG 118 HG3 -0.60 0.04 -0.31 -0.04 1.67 0.76 1pz7A1 ARG 118 HD2 -0.56 0.15 -0.18 -0.04 3.22 2.60 1pz7A1 ARG 118 HD3 -1.28 -0.12 -0.18 -0.04 3.22 1.60 1pz7A1 VAL 119 H -0.03 0.76 0.17 -0.55 8.24 8.59 1pz7A1 VAL 119 HA -0.02 0.11 0.88 -0.75 4.13 4.34 1pz7A1 VAL 119 HB 0.05 -0.02 0.16 -0.04 2.12 2.28 1pz7A1 VAL 119 HG13 0.02 -0.01 -0.04 -0.04 0.97 0.89 1pz7A1 VAL 119 HG23 0.10 -0.01 -0.13 -0.04 0.95 0.86 1pz7A1 GLN 120 H -0.05 0.84 0.33 -0.55 8.47 9.04 1pz7A1 GLN 120 HA -0.04 0.42 0.54 -0.75 4.36 4.53 1pz7A1 GLN 120 HB2 -0.00 0.03 0.13 -0.04 2.15 2.27 1pz7A1 GLN 120 HB3 -0.01 -0.05 0.26 -0.04 2.02 2.19 1pz7A1 GLN 120 HG2 -0.02 0.10 0.15 -0.04 2.40 2.60 1pz7A1 GLN 120 HG3 -0.01 -0.07 -0.09 -0.04 2.39 2.18 1pz7A1 GLN 120 HE21 -0.00 -0.01 0.01 -0.04 6.97 6.92 1pz7A1 GLN 120 HE22 -0.01 -0.01 0.01 -0.04 7.69 7.64 1pz7A1 ARG 121 H 0.01 0.07 0.28 -0.55 8.46 8.26 1pz7A1 ARG 121 HA 0.09 0.13 0.54 -0.75 4.34 4.34 1pz7A1 ARG 121 HB2 0.03 -0.05 0.08 -0.04 1.90 1.92 1pz7A1 ARG 121 HB3 0.05 0.06 0.11 -0.04 1.80 1.98 1pz7A1 ARG 121 HG2 0.03 0.24 -0.04 -0.04 1.67 1.86 1pz7A1 ARG 121 HG3 0.01 -0.15 0.03 -0.04 1.67 1.53 1pz7A1 ARG 121 HD2 0.01 -0.08 -0.15 -0.04 3.22 2.96 1pz7A1 ARG 121 HD3 0.01 -0.09 -0.03 -0.04 3.22 3.06 1pz7A1 GLU 122 H 0.01 0.38 -0.00 -0.55 8.60 8.45 1pz7A1 GLU 122 HA 0.05 0.14 0.65 -0.75 4.29 4.37 1pz7A1 GLU 122 HB2 0.03 0.07 0.20 -0.04 2.09 2.35 1pz7A1 GLU 122 HB3 0.02 0.02 -0.01 -0.04 1.99 1.98 1pz7A1 GLU 122 HG2 0.02 0.01 -0.02 -0.04 2.34 2.30 1pz7A1 GLU 122 HG3 0.02 -0.07 0.07 -0.04 2.34 2.33 1pz7A1 GLY 123 H 0.05 0.73 0.50 -0.55 8.43 9.18 1pz7A1 GLY 123 HA2 -0.10 0.26 1.14 -0.51 4.01 4.80 1pz7A1 GLY 123 HA3 0.13 -0.03 0.32 -0.51 4.01 3.92 1pz7A1 SER 124 H -0.34 0.64 0.40 -0.55 8.46 8.61 1pz7A1 SER 124 HA -0.20 0.38 0.89 -0.75 4.49 4.80 1pz7A1 SER 124 HB2 -0.52 0.03 -0.14 -0.04 3.95 3.27 1pz7A1 SER 124 HB3 -1.72 -0.09 0.04 -0.04 3.93 2.12 1pz7A1 LEU 125 H -0.09 0.62 0.32 -0.55 8.37 8.67 1pz7A1 LEU 125 HA -0.05 0.23 1.03 -0.75 4.35 4.82 1pz7A1 LEU 125 HB2 -0.02 0.00 -0.09 -0.04 1.64 1.49 1pz7A1 LEU 125 HB3 -0.02 -0.01 0.04 -0.04 1.64 1.60 1pz7A1 LEU 125 HG 0.01 -0.06 -0.32 -0.04 1.64 1.23 1pz7A1 LEU 125 HD13 0.01 0.01 -0.12 -0.04 0.93 0.79 1pz7A1 LEU 125 HD23 0.02 -0.02 -0.21 -0.04 0.89 0.63 1pz7A1 GLN 126 H 0.01 0.71 0.29 -0.55 8.47 8.93 1pz7A1 GLN 126 HA 0.03 0.12 0.84 -0.75 4.36 4.60 1pz7A1 GLN 126 HB2 0.05 -0.02 -0.09 -0.04 2.15 2.04 1pz7A1 GLN 126 HB3 0.08 -0.05 0.12 -0.04 2.02 2.13 1pz7A1 GLN 126 HG2 0.08 0.03 -0.54 -0.04 2.40 1.93 1pz7A1 GLN 126 HG3 0.06 0.21 -0.20 -0.04 2.39 2.42 1pz7A1 GLN 126 HE21 0.07 -0.12 -0.04 -0.04 6.97 6.85 1pz7A1 GLN 126 HE22 0.08 0.08 -0.01 -0.04 7.69 7.80 1pz7A1 VAL 127 H 0.05 0.14 0.10 -0.55 8.24 7.98 1pz7A1 VAL 127 HA 0.05 0.30 1.06 -0.75 4.13 4.78 1pz7A1 VAL 127 HB 0.07 -0.10 0.15 -0.04 2.12 2.20 1pz7A1 VAL 127 HG13 0.06 0.03 -0.04 -0.04 0.97 0.98 1pz7A1 VAL 127 HG23 0.04 -0.02 -0.05 -0.04 0.95 0.88 1pz7A1 GLY 128 H 0.11 0.64 0.30 -0.55 8.43 8.94 1pz7A1 GLY 128 HA2 0.12 -0.03 0.41 -0.51 4.01 4.01 1pz7A1 GLY 128 HA3 0.09 -0.01 0.48 -0.51 4.01 4.05 1pz7A1 ASN 129 H 0.07 0.09 0.18 -0.55 8.53 8.33 1pz7A1 ASN 129 HA 0.06 0.25 0.83 -0.75 4.76 5.15 1pz7A1 ASN 129 HB2 0.05 -0.02 0.09 -0.04 2.88 2.96 1pz7A1 ASN 129 HB3 0.04 0.02 0.16 -0.04 2.79 2.97 1pz7A1 ASN 129 HD21 0.04 0.01 -0.02 -0.04 7.03 7.01 1pz7A1 ASN 129 HD22 0.05 0.01 0.02 -0.04 7.74 7.78 1pz7A1 GLU 130 H 0.06 0.34 -0.13 -0.55 8.60 8.32 1pz7A1 GLU 130 HA 0.04 0.01 0.41 -0.75 4.29 4.00 1pz7A1 GLU 130 HB2 0.04 -0.01 0.13 -0.04 2.09 2.21 1pz7A1 GLU 130 HB3 0.05 -0.03 0.13 -0.04 1.99 2.11 1pz7A1 GLU 130 HG2 0.05 0.04 0.02 -0.04 2.34 2.40 1pz7A1 GLU 130 HG3 0.03 0.29 -0.43 -0.04 2.34 2.19 1pz7A1 ALA 131 H 0.03 0.04 0.17 -0.55 8.40 8.08 1pz7A1 ALA 131 HA 0.03 0.10 0.56 -0.75 4.34 4.27 1pz7A1 ALA 131 HB3 0.01 -0.01 0.13 -0.04 1.41 1.51 1pz7A1 PRO 132 HA 0.01 0.14 0.48 -0.51 4.44 4.56 1pz7A1 PRO 132 HB2 0.01 -0.03 -0.04 -0.04 2.28 2.18 1pz7A1 PRO 132 HB3 -0.00 -0.01 -0.06 -0.04 2.02 1.91 1pz7A1 PRO 132 HG2 0.06 -0.01 0.03 -0.04 2.03 2.07 1pz7A1 PRO 132 HG3 0.05 0.06 0.02 -0.04 2.03 2.13 1pz7A1 PRO 132 HD2 0.03 0.03 0.19 -0.04 3.68 3.89 1pz7A1 PRO 132 HD3 0.04 0.22 0.25 -0.04 3.65 4.11 1pz7A1 ILE 133 H -0.02 0.71 0.41 -0.55 8.25 8.80 1pz7A1 ILE 133 HA -0.02 0.11 0.79 -0.75 4.18 4.30 1pz7A1 ILE 133 HB -0.02 -0.11 0.11 -0.04 1.89 1.83 1pz7A1 ILE 133 HG12 -0.00 0.04 0.12 -0.04 1.49 1.60 1pz7A1 ILE 133 HG13 -0.01 -0.00 -0.16 -0.04 1.21 1.00 1pz7A1 ILE 133 HG23 -0.03 -0.01 -0.08 -0.04 0.93 0.77 1pz7A1 ILE 133 HD13 -0.02 -0.00 0.04 -0.04 0.88 0.86 1pz7A1 THR 134 H -0.03 0.20 0.22 -0.55 8.28 8.13 1pz7A1 THR 134 HA -0.06 0.37 1.08 -0.75 4.39 5.03 1pz7A1 THR 134 HB -0.02 0.02 0.15 -0.04 4.32 4.43 1pz7A1 THR 134 HG23 -0.03 0.01 -0.19 -0.04 1.22 0.97 1pz7A1 GLY 135 H -0.02 0.49 0.36 -0.55 8.43 8.72 1pz7A1 GLY 135 HA2 -0.02 0.03 0.42 -0.51 4.01 3.94 1pz7A1 GLY 135 HA3 -0.03 0.10 0.38 -0.51 4.01 3.94 1pz7A1 SER 136 H -0.02 0.23 0.19 -0.55 8.46 8.31 1pz7A1 SER 136 HA 0.06 0.39 1.06 -0.75 4.49 5.24 1pz7A1 SER 136 HB2 0.00 -0.06 0.01 -0.04 3.95 3.86 1pz7A1 SER 136 HB3 0.02 0.11 -0.07 -0.04 3.93 3.96 1pz7A1 SER 137 H 0.08 0.41 0.24 -0.55 8.46 8.65 1pz7A1 SER 137 HA -0.12 0.09 0.53 -0.75 4.49 4.24 1pz7A1 SER 137 HB2 -0.04 0.13 0.07 -0.04 3.95 4.06 1pz7A1 SER 137 HB3 -0.17 -0.07 0.07 -0.04 3.93 3.72 1pz7A1 PRO 138 HA -0.02 -0.05 0.39 -0.51 4.44 4.25 1pz7A1 PRO 138 HB2 -0.02 0.16 0.11 -0.04 2.28 2.49 1pz7A1 PRO 138 HB3 -0.02 -0.08 0.16 -0.04 2.02 2.04 1pz7A1 PRO 138 HG2 -0.04 0.12 0.17 -0.04 2.03 2.24 1pz7A1 PRO 138 HG3 -0.04 -0.04 0.11 -0.04 2.03 2.02 1pz7A1 PRO 138 HD2 -0.05 0.24 0.06 -0.04 3.68 3.88 1pz7A1 PRO 138 HD3 -0.08 0.10 0.08 -0.04 3.65 3.72 1pz7A1 LEU 139 H -0.01 0.04 0.16 -0.55 8.37 8.02 1pz7A1 LEU 139 HA 0.00 0.02 0.39 -0.75 4.35 4.01 1pz7A1 LEU 139 HB2 -0.00 -0.00 0.15 -0.04 1.64 1.74 1pz7A1 LEU 139 HB3 -0.00 -0.02 0.12 -0.04 1.64 1.70 1pz7A1 LEU 139 HG -0.00 0.03 -0.13 -0.04 1.64 1.50 1pz7A1 LEU 139 HD13 0.00 -0.01 0.04 -0.04 0.93 0.93 1pz7A1 LEU 139 HD23 -0.00 -0.01 -0.00 -0.04 0.89 0.83 1pz7A1 GLY 140 H 0.00 0.17 0.06 -0.55 8.43 8.11 1pz7A1 GLY 140 HA2 -0.00 -0.04 0.29 -0.51 4.01 3.76 1pz7A1 GLY 140 HA3 -0.00 0.14 0.78 -0.51 4.01 4.41 1pz7A1 ALA 141 H -0.00 0.15 -0.06 -0.55 8.40 7.94 1pz7A1 ALA 141 HA -0.00 0.01 0.43 -0.75 4.34 4.03 1pz7A1 ALA 141 HB3 -0.00 0.01 -0.13 -0.04 1.41 1.24 1pz7A1 THR 142 H -0.01 0.02 0.21 -0.55 8.28 7.96 1pz7A1 THR 142 HA -0.00 0.22 0.74 -0.75 4.39 4.59 1pz7A1 THR 142 HB -0.01 -0.10 0.16 -0.04 4.32 4.33 1pz7A1 THR 142 HG23 -0.00 0.04 -0.12 -0.04 1.22 1.10 1pz7A1 GLN 143 H -0.01 0.00 0.13 -0.55 8.47 8.05 1pz7A1 GLN 143 HA -0.03 0.44 0.88 -0.75 4.36 4.90 1pz7A1 GLN 143 HB2 -0.01 -0.05 -0.01 -0.04 2.15 2.04 1pz7A1 GLN 143 HB3 -0.01 -0.05 -0.32 -0.04 2.02 1.60 1pz7A1 GLN 143 HG2 -0.02 0.08 -0.30 -0.04 2.40 2.12 1pz7A1 GLN 143 HG3 -0.01 -0.12 -0.39 -0.04 2.39 1.83 1pz7A1 GLN 143 HE21 -0.00 0.00 -0.03 -0.04 6.97 6.90 1pz7A1 GLN 143 HE22 -0.01 0.01 -0.06 -0.04 7.69 7.59 1pz7A1 LEU 144 H -0.04 0.64 0.16 -0.55 8.37 8.58 1pz7A1 LEU 144 HA -0.03 0.11 0.80 -0.75 4.35 4.48 1pz7A1 LEU 144 HB2 -0.08 0.08 -0.06 -0.04 1.64 1.53 1pz7A1 LEU 144 HB3 -0.04 -0.07 0.07 -0.04 1.64 1.56 1pz7A1 LEU 144 HG -0.06 0.03 -0.10 -0.04 1.64 1.47 1pz7A1 LEU 144 HD13 -0.07 -0.01 -0.29 -0.04 0.93 0.52 1pz7A1 LEU 144 HD23 0.02 0.01 -0.42 -0.04 0.89 0.46 1pz7A1 ASP 145 H 0.01 0.22 0.16 -0.55 8.40 8.24 1pz7A1 ASP 145 HA 0.02 0.44 0.93 -0.75 4.63 5.26 1pz7A1 ASP 145 HB2 0.03 -0.06 0.22 -0.04 2.71 2.86 1pz7A1 ASP 145 HB3 0.03 0.00 0.05 -0.04 2.70 2.73 1pz7A1 THR 146 H 0.03 0.63 0.46 -0.55 8.28 8.84 1pz7A1 THR 146 HA 0.08 0.08 0.87 -0.75 4.39 4.66 1pz7A1 THR 146 HB 0.06 0.13 -0.33 -0.04 4.32 4.15 1pz7A1 THR 146 HG23 0.02 0.07 -0.13 -0.04 1.22 1.14 1pz7A1 ASP 147 H 0.09 0.09 0.19 -0.55 8.40 8.22 1pz7A1 ASP 147 HA 0.06 0.24 0.72 -0.75 4.63 4.90 1pz7A1 ASP 147 HB2 0.10 0.12 0.12 -0.04 2.71 3.01 1pz7A1 ASP 147 HB3 0.09 0.06 0.12 -0.04 2.70 2.92 1pz7A1 GLY 148 H 0.02 -0.04 -0.15 -0.55 8.43 7.72 1pz7A1 GLY 148 HA2 -0.09 0.04 0.23 -0.51 4.01 3.69 1pz7A1 GLY 148 HA3 -0.31 0.23 0.73 -0.51 4.01 4.15 1pz7A1 ALA 149 H 0.06 -0.10 -0.12 -0.55 8.40 7.70 1pz7A1 ALA 149 HA -0.02 0.22 0.55 -0.75 4.34 4.34 1pz7A1 ALA 149 HB3 0.16 0.04 0.06 -0.04 1.41 1.62 1pz7A1 LEU 150 H -0.13 0.54 0.40 -0.55 8.37 8.63 1pz7A1 LEU 150 HA 0.21 0.23 1.00 -0.75 4.35 5.04 1pz7A1 LEU 150 HB2 0.11 0.03 -0.14 -0.04 1.64 1.59 1pz7A1 LEU 150 HB3 0.10 -0.07 -0.02 -0.04 1.64 1.61 1pz7A1 LEU 150 HG 0.17 0.01 -0.35 -0.04 1.64 1.43 1pz7A1 LEU 150 HD13 0.14 0.03 -0.10 -0.04 0.93 0.96 1pz7A1 LEU 150 HD23 0.05 -0.02 -0.14 -0.04 0.89 0.73 1pz7A1 TRP 151 H 0.46 0.68 0.41 -0.55 7.97 8.98 1pz7A1 TRP 151 HA 0.26 0.37 1.21 -0.75 4.62 5.70 1pz7A1 TRP 151 HB2 0.22 -0.04 0.20 -0.04 3.23 3.56 1pz7A1 TRP 151 HB3 0.22 0.26 0.08 -0.04 3.23 3.75 1pz7A1 TRP 151 HD1 0.20 0.09 -0.11 -0.04 7.22 7.37 1pz7A1 TRP 151 HE1 0.09 0.05 -0.06 -0.04 10.20 10.25 1pz7A1 TRP 151 HE3 0.44 0.09 -0.44 -0.04 7.59 7.64 1pz7A1 TRP 151 HZ2 0.09 0.03 -0.01 -0.04 7.44 7.51 1pz7A1 TRP 151 HZ3 -0.04 0.09 -0.20 -0.04 7.13 6.94 1pz7A1 TRP 151 HH2 0.11 0.05 -0.04 -0.04 7.19 7.27 1pz7A1 LEU 152 H 0.51 0.55 0.37 -0.55 8.37 9.25 1pz7A1 LEU 152 HA 0.16 0.27 1.12 -0.75 4.35 5.15 1pz7A1 LEU 152 HB2 0.30 -0.03 -0.07 -0.04 1.64 1.80 1pz7A1 LEU 152 HB3 0.49 -0.09 0.13 -0.04 1.64 2.13 1pz7A1 LEU 152 HG -0.07 0.05 -0.08 -0.04 1.64 1.50 1pz7A1 LEU 152 HD13 -0.06 0.06 0.02 -0.04 0.93 0.91 1pz7A1 LEU 152 HD23 0.24 -0.03 -0.08 -0.04 0.89 0.98 1pz7A1 GLY 153 H -0.05 0.79 0.23 -0.55 8.43 8.86 1pz7A1 GLY 153 HA2 -0.11 0.01 0.45 -0.51 4.01 3.86 1pz7A1 GLY 153 HA3 0.14 0.06 0.46 -0.51 4.01 4.16 1pz7A1 GLY 154 H 0.23 0.19 -0.55 -0.55 8.43 7.76 1pz7A1 GLY 154 HA2 0.01 0.07 0.20 -0.51 4.01 3.77 1pz7A1 GLY 154 HA3 0.04 0.13 0.22 -0.51 4.01 3.88 1pz7A1 MET 155 H -0.49 0.34 -0.02 -0.55 8.47 7.75 1pz7A1 MET 155 HA -0.73 0.08 0.69 -0.75 4.52 3.80 1pz7A1 MET 155 HB2 -0.35 0.03 -0.45 -0.04 2.15 1.33 1pz7A1 MET 155 HB3 -0.52 0.04 -0.33 -0.04 2.03 1.17 1pz7A1 MET 155 HG2 -0.76 0.00 -0.30 -0.04 2.63 1.53 1pz7A1 MET 155 HG3 -0.81 -0.07 -0.04 -0.04 2.56 1.60 1pz7A1 MET 155 HE3 -0.84 0.07 -0.19 -0.04 2.10 1.11 1pz7A1 GLU 156 H -1.69 0.12 0.03 -0.55 8.60 6.52 1pz7A1 GLU 156 HA -0.68 0.15 0.50 -0.75 4.29 3.50 1pz7A1 GLU 156 HB2 -0.80 0.03 0.05 -0.04 2.09 1.34 1pz7A1 GLU 156 HB3 -0.71 -0.05 0.13 -0.04 1.99 1.33 1pz7A1 GLU 156 HG2 -0.19 -0.02 -0.30 -0.04 2.34 1.79 1pz7A1 GLU 156 HG3 -0.08 0.03 0.00 -0.04 2.34 2.25 1pz7A1 ARG 157 H -0.58 0.10 -0.04 -0.55 8.46 7.40 1pz7A1 ARG 157 HA -0.26 0.08 0.62 -0.75 4.34 4.03 1pz7A1 ARG 157 HB2 -0.31 0.09 0.22 -0.04 1.90 1.86 1pz7A1 ARG 157 HB3 -0.21 -0.05 0.07 -0.04 1.80 1.57 1pz7A1 ARG 157 HG2 -0.13 0.01 -0.04 -0.04 1.67 1.47 1pz7A1 ARG 157 HG3 -0.22 -0.13 0.03 -0.04 1.67 1.31 1pz7A1 ARG 157 HD2 -0.07 0.14 0.10 -0.04 3.22 3.35 1pz7A1 ARG 157 HD3 -0.05 -0.05 -0.00 -0.04 3.22 3.08 1pz7A1 LEU 158 H -0.27 0.27 0.08 -0.55 8.37 7.91 1pz7A1 LEU 158 HA -0.36 0.21 0.25 -0.75 4.35 3.69 1pz7A1 LEU 158 HB2 -0.14 -0.04 0.00 -0.04 1.64 1.42 1pz7A1 LEU 158 HB3 -0.13 0.02 -0.06 -0.04 1.64 1.42 1pz7A1 LEU 158 HG -0.30 0.12 -0.16 -0.04 1.64 1.26 1pz7A1 LEU 158 HD13 -0.14 0.01 0.00 -0.04 0.93 0.76 1pz7A1 LEU 158 HD23 -0.28 -0.01 -0.15 -0.04 0.89 0.41 1pz7A1 SER 159 H -0.26 0.09 -0.13 -0.55 8.46 7.61 1pz7A1 SER 159 HA -1.09 0.07 0.29 -0.75 4.49 3.01 1pz7A1 SER 159 HB2 -0.38 0.02 0.05 -0.04 3.95 3.60 1pz7A1 SER 159 HB3 -0.22 0.02 0.08 -0.04 3.93 3.77 1pz7A1 VAL 160 H -0.35 0.18 -0.70 -0.55 8.24 6.82 1pz7A1 VAL 160 HA -0.22 0.04 0.47 -0.75 4.13 3.67 1pz7A1 VAL 160 HB -0.46 0.14 -0.02 -0.04 2.12 1.74 1pz7A1 VAL 160 HG13 -0.05 0.01 -0.14 -0.04 0.97 0.74 1pz7A1 VAL 160 HG23 -0.16 -0.03 -0.40 -0.04 0.95 0.32 1pz7A1 ALA 161 H -0.27 0.05 -0.38 -0.55 8.40 7.25 1pz7A1 ALA 161 HA -0.10 0.02 0.24 -0.75 4.34 3.75 1pz7A1 ALA 161 HB3 -0.11 0.08 -0.23 -0.04 1.41 1.11 1pz7A1 HIS 162 H -0.13 0.23 0.19 -0.55 8.41 8.16 1pz7A1 HIS 162 HA -0.04 0.12 0.50 -0.75 4.63 4.46 1pz7A1 HIS 162 HB2 -0.04 0.01 0.15 -0.04 3.26 3.34 1pz7A1 HIS 162 HB3 -0.03 -0.01 0.07 -0.04 3.20 3.19 1pz7A1 HIS 162 HD2 -0.07 0.04 -0.19 -0.04 6.97 6.71 1pz7A1 HIS 162 HE1 -0.05 -0.03 0.01 -0.04 7.75 7.64 1pz7A1 LYS 163 H 0.01 0.02 -0.23 -0.55 8.42 7.67 1pz7A1 LYS 163 HA 0.03 0.13 0.46 -0.75 4.32 4.18 1pz7A1 LYS 163 HB2 0.02 0.01 0.07 -0.04 1.87 1.92 1pz7A1 LYS 163 HB3 0.02 -0.03 0.01 -0.04 1.79 1.74 1pz7A1 LYS 163 HG2 -0.04 -0.08 -0.20 -0.04 1.46 1.10 1pz7A1 LYS 163 HG3 -0.02 0.04 -0.39 -0.04 1.46 1.04 1pz7A1 LYS 163 HD2 0.05 -0.01 -0.08 -0.04 1.69 1.61 1pz7A1 LYS 163 HD3 0.02 -0.01 -0.06 -0.04 1.68 1.60 1pz7A1 LYS 163 HE2 -0.02 0.00 -0.17 -0.04 2.99 2.76 1pz7A1 LYS 163 HE3 0.05 -0.03 -0.16 -0.04 2.99 2.81 1pz7A1 LEU 164 H 0.01 0.37 -0.84 -0.55 8.37 7.37 1pz7A1 LEU 164 HA -0.04 0.18 0.81 -0.75 4.35 4.54 1pz7A1 LEU 164 HB2 -0.05 0.09 -0.09 -0.04 1.64 1.55 1pz7A1 LEU 164 HB3 -0.38 -0.03 -0.01 -0.04 1.64 1.19 1pz7A1 LEU 164 HG -0.11 -0.19 -0.45 -0.04 1.64 0.85 1pz7A1 LEU 164 HD13 -0.30 0.01 -0.14 -0.04 0.93 0.46 1pz7A1 LEU 164 HD23 -0.19 0.04 -0.20 -0.04 0.89 0.50 1pz7A1 PRO 165 HA 0.09 0.08 0.46 -0.51 4.44 4.56 1pz7A1 PRO 165 HB2 0.31 -0.10 -0.03 -0.04 2.28 2.41 1pz7A1 PRO 165 HB3 0.13 0.02 0.08 -0.04 2.02 2.20 1pz7A1 PRO 165 HG2 0.23 0.05 -0.00 -0.04 2.03 2.26 1pz7A1 PRO 165 HG3 0.09 0.09 0.03 -0.04 2.03 2.20 1pz7A1 PRO 165 HD2 -0.05 0.08 0.10 -0.04 3.68 3.78 1pz7A1 PRO 165 HD3 0.00 0.21 0.12 -0.04 3.65 3.94 1pz7A1 LYS 166 H 0.07 0.14 0.14 -0.55 8.42 8.22 1pz7A1 LYS 166 HA 0.06 0.18 0.25 -0.75 4.32 4.06 1pz7A1 LYS 166 HB2 0.03 -0.05 0.11 -0.04 1.87 1.92 1pz7A1 LYS 166 HB3 0.02 0.02 -0.06 -0.04 1.79 1.72 1pz7A1 LYS 166 HG2 0.02 0.04 0.06 -0.04 1.46 1.53 1pz7A1 LYS 166 HG3 0.00 0.00 0.02 -0.04 1.46 1.44 1pz7A1 LYS 166 HD2 -0.00 -0.01 -0.02 -0.04 1.69 1.62 1pz7A1 LYS 166 HD3 0.02 0.04 0.01 -0.04 1.68 1.70 1pz7A1 LYS 166 HE2 -0.02 0.04 -0.01 -0.04 2.99 2.96 1pz7A1 LYS 166 HE3 -0.02 -0.02 -0.01 -0.04 2.99 2.90 1pz7A1 ALA 167 H 0.07 0.04 -0.43 -0.55 8.40 7.53 1pz7A1 ALA 167 HA -0.03 0.04 0.26 -0.75 4.34 3.86 1pz7A1 ALA 167 HB3 -0.12 -0.02 0.03 -0.04 1.41 1.27 1pz7A1 TYR 168 H 0.26 0.51 -0.41 -0.55 8.29 8.10 1pz7A1 TYR 168 HA 0.06 0.01 0.28 -0.75 4.56 4.16 1pz7A1 TYR 168 HB2 0.04 0.19 -0.07 -0.04 3.06 3.18 1pz7A1 TYR 168 HB3 0.09 0.02 -0.03 -0.04 2.98 3.02 1pz7A1 TYR 168 HD2 0.21 0.11 -0.10 -0.04 7.15 7.32 1pz7A1 TYR 168 HE2 0.07 -0.02 -0.18 -0.04 6.85 6.67 1pz7A1 SER 169 H 0.06 0.47 -0.44 -0.55 8.46 8.00 1pz7A1 SER 169 HA -0.07 0.14 0.68 -0.75 4.49 4.49 1pz7A1 SER 169 HB2 0.01 0.05 -0.02 -0.04 3.95 3.95 1pz7A1 SER 169 HB3 -0.02 -0.07 0.06 -0.04 3.93 3.86 1pz7A1 THR 170 H -0.01 0.37 -0.41 -0.55 8.28 7.68 1pz7A1 THR 170 HA -0.02 0.11 0.82 -0.75 4.39 4.55 1pz7A1 THR 170 HB -0.02 -0.02 0.02 -0.04 4.32 4.27 1pz7A1 THR 170 HG23 -0.01 0.04 -0.13 -0.04 1.22 1.08 1pz7A1 GLY 171 H -0.01 0.15 0.18 -0.55 8.43 8.21 1pz7A1 GLY 171 HA2 0.05 0.08 0.54 -0.51 4.01 4.18 1pz7A1 GLY 171 HA3 0.05 0.32 0.43 -0.51 4.01 4.31 1pz7A1 PHE 172 H 0.22 0.69 0.31 -0.55 8.34 9.00 1pz7A1 PHE 172 HA -0.03 -0.03 0.46 -0.75 4.62 4.27 1pz7A1 PHE 172 HB2 -0.09 0.25 -0.03 -0.04 3.15 3.24 1pz7A1 PHE 172 HB3 -0.11 -0.00 0.20 -0.04 3.06 3.11 1pz7A1 PHE 172 HD2 -0.28 -0.02 -0.22 -0.04 7.28 6.73 1pz7A1 PHE 172 HE2 -0.08 -0.04 -0.38 -0.04 7.38 6.84 1pz7A1 PHE 172 HZ -0.09 -0.00 -0.17 -0.04 7.32 7.02 1pz7A1 ILE 173 H -0.49 0.16 0.16 -0.55 8.25 7.53 1pz7A1 ILE 173 HA -0.24 0.31 0.81 -0.75 4.18 4.31 1pz7A1 ILE 173 HB -0.21 -0.10 0.16 -0.04 1.89 1.70 1pz7A1 ILE 173 HG12 -0.06 -0.01 -0.55 -0.04 1.49 0.83 1pz7A1 ILE 173 HG13 -0.09 0.12 -0.35 -0.04 1.21 0.86 1pz7A1 ILE 173 HG23 -0.14 -0.00 -0.04 -0.04 0.93 0.71 1pz7A1 ILE 173 HD13 -0.06 -0.01 -0.03 -0.04 0.88 0.74 1pz7A1 GLY 174 H -0.25 0.57 0.34 -0.55 8.43 8.54 1pz7A1 GLY 174 HA2 -0.21 -0.02 0.41 -0.51 4.01 3.67 1pz7A1 GLY 174 HA3 -0.49 0.14 0.78 -0.51 4.01 3.94 1pz7A1 CYS 175 H 0.03 0.66 0.41 -0.55 8.50 9.06 1pz7A1 CYS 175 HA 0.44 0.36 1.16 -0.75 4.58 5.78 1pz7A1 CYS 175 HB2 -0.26 -0.05 0.03 -0.04 2.97 2.64 1pz7A1 CYS 175 HB3 0.43 0.01 -0.08 -0.04 2.97 3.29 1pz7A1 ILE 176 H 0.55 0.59 0.36 -0.55 8.25 9.20 1pz7A1 ILE 176 HA 0.43 0.30 1.05 -0.75 4.18 5.21 1pz7A1 ILE 176 HB 0.38 -0.04 0.05 -0.04 1.89 2.24 1pz7A1 ILE 176 HG12 -0.17 0.06 -0.12 -0.04 1.49 1.22 1pz7A1 ILE 176 HG13 0.09 -0.08 -0.54 -0.04 1.21 0.64 1pz7A1 ILE 176 HG23 0.08 -0.00 -0.06 -0.04 0.93 0.91 1pz7A1 ILE 176 HD13 -0.77 -0.00 -0.10 -0.04 0.88 -0.04 1pz7A1 ARG 177 H 0.28 0.69 0.36 -0.55 8.46 9.25 1pz7A1 ARG 177 HA 0.12 0.13 0.69 -0.75 4.34 4.52 1pz7A1 ARG 177 HB2 -0.11 -0.01 -0.06 -0.04 1.90 1.67 1pz7A1 ARG 177 HB3 -0.09 0.00 -0.26 -0.04 1.80 1.41 1pz7A1 ARG 177 HG2 -0.34 0.02 -0.10 -0.04 1.67 1.21 1pz7A1 ARG 177 HG3 -0.24 -0.00 -0.31 -0.04 1.67 1.07 1pz7A1 ARG 177 HD2 -0.65 0.01 -0.16 -0.04 3.22 2.38 1pz7A1 ARG 177 HD3 -2.11 0.02 -0.20 -0.04 3.22 0.90 1pz7A1 ASP 178 H 0.02 0.18 0.17 -0.55 8.40 8.22 1pz7A1 ASP 178 HA 0.02 0.05 0.37 -0.75 4.63 4.31 1pz7A1 ASP 178 HB2 0.01 0.06 -0.22 -0.04 2.71 2.52 1pz7A1 ASP 178 HB3 0.03 0.03 0.10 -0.04 2.70 2.82 1pz7A1 VAL 179 H 0.04 0.05 0.02 -0.55 8.24 7.79 1pz7A1 VAL 179 HA 0.03 0.35 0.92 -0.75 4.13 4.68 1pz7A1 VAL 179 HB -0.03 -0.10 0.13 -0.04 2.12 2.08 1pz7A1 VAL 179 HG13 -0.01 0.01 -0.14 -0.04 0.97 0.79 1pz7A1 VAL 179 HG23 0.04 -0.01 -0.11 -0.04 0.95 0.82 1pz7A1 ILE 180 H 0.05 0.87 0.42 -0.55 8.25 9.04 1pz7A1 ILE 180 HA 0.00 0.23 0.85 -0.75 4.18 4.50 1pz7A1 ILE 180 HB 0.04 -0.05 0.08 -0.04 1.89 1.92 1pz7A1 ILE 180 HG12 0.05 0.18 -0.23 -0.04 1.49 1.45 1pz7A1 ILE 180 HG13 0.05 -0.00 -0.14 -0.04 1.21 1.07 1pz7A1 ILE 180 HG23 -0.00 -0.04 -0.41 -0.04 0.93 0.43 1pz7A1 ILE 180 HD13 0.02 0.02 -0.33 -0.04 0.88 0.55 1pz7A1 VAL 181 H -0.02 0.74 0.19 -0.55 8.24 8.60 1pz7A1 VAL 181 HA 0.00 0.31 1.12 -0.75 4.13 4.80 1pz7A1 VAL 181 HB -0.01 0.02 0.12 -0.04 2.12 2.20 1pz7A1 VAL 181 HG13 0.03 0.01 -0.07 -0.04 0.97 0.89 1pz7A1 VAL 181 HG23 0.11 -0.01 -0.17 -0.04 0.95 0.84 1pz7A1 ASP 182 H -0.14 0.68 0.30 -0.55 8.40 8.69 1pz7A1 ASP 182 HA -0.11 -0.01 0.37 -0.75 4.63 4.13 1pz7A1 ASP 182 HB2 -0.08 0.13 -0.17 -0.04 2.71 2.56 1pz7A1 ASP 182 HB3 -0.08 -0.03 0.19 -0.04 2.70 2.74 1pz7A1 ARG 183 H -0.07 0.07 -0.31 -0.55 8.46 7.60 1pz7A1 ARG 183 HA -0.07 -0.02 0.18 -0.75 4.34 3.67 1pz7A1 ARG 183 HB2 -0.08 0.35 0.13 -0.04 1.90 2.26 1pz7A1 ARG 183 HB3 -0.07 -0.02 0.12 -0.04 1.80 1.79 1pz7A1 ARG 183 HG2 -0.14 -0.01 -0.08 -0.04 1.67 1.40 1pz7A1 ARG 183 HG3 -0.18 -0.14 -0.40 -0.04 1.67 0.91 1pz7A1 ARG 183 HD2 -0.16 -0.02 -0.06 -0.04 3.22 2.94 1pz7A1 ARG 183 HD3 -0.10 0.03 -0.05 -0.04 3.22 3.06 1pz7A1 GLN 184 H -0.05 0.46 -0.54 -0.55 8.47 7.80 1pz7A1 GLN 184 HA -0.04 0.18 1.06 -0.75 4.36 4.81 1pz7A1 GLN 184 HB2 -0.05 0.03 -0.08 -0.04 2.15 2.01 1pz7A1 GLN 184 HB3 -0.06 0.09 0.05 -0.04 2.02 2.06 1pz7A1 GLN 184 HG2 -0.09 -0.07 -0.10 -0.04 2.40 2.10 1pz7A1 GLN 184 HG3 -0.11 0.08 -0.59 -0.04 2.39 1.73 1pz7A1 GLN 184 HE21 -0.06 -0.08 0.04 -0.04 6.97 6.84 1pz7A1 GLN 184 HE22 -0.22 0.46 0.07 -0.04 7.69 7.96 1pz7A1 GLU 185 H -0.03 0.16 0.09 -0.55 8.60 8.28 1pz7A1 GLU 185 HA -0.01 0.14 0.62 -0.75 4.29 4.29 1pz7A1 GLU 185 HB2 0.01 -0.01 0.05 -0.04 2.09 2.11 1pz7A1 GLU 185 HB3 0.03 -0.02 0.10 -0.04 1.99 2.06 1pz7A1 GLU 185 HG2 0.08 0.13 -0.19 -0.04 2.34 2.32 1pz7A1 GLU 185 HG3 0.03 -0.03 -0.03 -0.04 2.34 2.28 1pz7A1 LEU 186 H -0.04 0.79 0.41 -0.55 8.37 8.98 1pz7A1 LEU 186 HA -0.17 0.09 0.53 -0.75 4.35 4.05 1pz7A1 LEU 186 HB2 -0.12 0.16 0.14 -0.04 1.64 1.77 1pz7A1 LEU 186 HB3 -0.16 -0.13 -0.11 -0.04 1.64 1.21 1pz7A1 LEU 186 HG -0.43 -0.00 -0.10 -0.04 1.64 1.07 1pz7A1 LEU 186 HD13 -0.14 0.01 -0.09 -0.04 0.93 0.67 1pz7A1 LEU 186 HD23 -0.59 -0.01 -0.13 -0.04 0.89 0.11 1pz7A1 HIS 187 H -0.07 0.24 0.08 -0.55 8.41 8.11 1pz7A1 HIS 187 HA 0.04 0.14 0.79 -0.75 4.63 4.85 1pz7A1 HIS 187 HB2 0.07 0.01 0.21 -0.04 3.26 3.51 1pz7A1 HIS 187 HB3 0.05 -0.08 0.13 -0.04 3.20 3.26 1pz7A1 HIS 187 HD2 0.02 0.05 -0.30 -0.04 6.97 6.69 1pz7A1 HIS 187 HE1 0.01 0.02 -0.00 -0.04 7.75 7.74 1pz7A1 LEU 188 H 0.14 0.28 -0.07 -0.55 8.37 8.18 1pz7A1 LEU 188 HA 0.27 0.07 0.13 -0.75 4.35 4.07 1pz7A1 LEU 188 HB2 0.17 -0.03 0.08 -0.04 1.64 1.82 1pz7A1 LEU 188 HB3 0.24 0.07 -0.04 -0.04 1.64 1.86 1pz7A1 LEU 188 HG 0.10 0.02 0.03 -0.04 1.64 1.75 1pz7A1 LEU 188 HD13 0.20 0.01 -0.03 -0.04 0.93 1.07 1pz7A1 LEU 188 HD23 0.04 -0.00 -0.09 -0.04 0.89 0.79 1pz7A1 VAL 189 H 0.15 0.01 -0.17 -0.55 8.24 7.67 1pz7A1 VAL 189 HA 0.08 0.16 0.56 -0.75 4.13 4.18 1pz7A1 VAL 189 HB 0.09 -0.08 0.10 -0.04 2.12 2.19 1pz7A1 VAL 189 HG13 0.05 0.03 -0.12 -0.04 0.97 0.89 1pz7A1 VAL 189 HG23 0.12 0.00 -0.03 -0.04 0.95 0.99 1pz7A1 GLU 190 H 0.12 -0.04 -0.06 -0.55 8.60 8.07 1pz7A1 GLU 190 HA 0.06 0.15 0.40 -0.75 4.29 4.15 1pz7A1 GLU 190 HB2 0.12 -0.05 0.08 -0.04 2.09 2.20 1pz7A1 GLU 190 HB3 0.07 0.06 0.07 -0.04 1.99 2.15 1pz7A1 GLU 190 HG2 0.04 -0.13 0.05 -0.04 2.34 2.25 1pz7A1 GLU 190 HG3 -0.01 0.02 0.03 -0.04 2.34 2.34 1pz7A1 ASP 191 H 0.22 0.64 -0.05 -0.55 8.40 8.66 1pz7A1 ASP 191 HA 0.12 0.11 0.61 -0.75 4.63 4.72 1pz7A1 ASP 191 HB2 0.33 0.14 -0.01 -0.04 2.71 3.13 1pz7A1 ASP 191 HB3 0.32 -0.05 0.05 -0.04 2.70 2.98 1pz7A1 ALA 192 H 0.08 0.18 -0.39 -0.55 8.40 7.73 1pz7A1 ALA 192 HA -0.68 0.13 0.49 -0.75 4.34 3.53 1pz7A1 ALA 192 HB3 -0.15 0.03 0.15 -0.04 1.41 1.39 1pz7A1 LEU 193 H -0.37 0.41 0.41 -0.55 8.37 8.27 1pz7A1 LEU 193 HA -0.10 0.25 0.86 -0.75 4.35 4.60 1pz7A1 LEU 193 HB2 -0.21 -0.06 0.01 -0.04 1.64 1.33 1pz7A1 LEU 193 HB3 -0.10 -0.03 0.10 -0.04 1.64 1.58 1pz7A1 LEU 193 HG -0.14 0.18 0.07 -0.04 1.64 1.72 1pz7A1 LEU 193 HD13 -0.06 -0.04 -0.15 -0.04 0.93 0.64 1pz7A1 LEU 193 HD23 -0.04 0.01 -0.05 -0.04 0.89 0.78 1pz7A1 ASN 194 H -0.19 0.01 0.11 -0.55 8.53 7.91 1pz7A1 ASN 194 HA -0.04 0.26 0.82 -0.75 4.76 5.04 1pz7A1 ASN 194 HB2 0.02 0.06 0.17 -0.04 2.88 3.09 1pz7A1 ASN 194 HB3 -0.01 -0.04 0.05 -0.04 2.79 2.75 1pz7A1 ASN 194 HD21 -0.26 0.60 0.26 -0.04 7.03 7.59 1pz7A1 ASN 194 HD22 -0.24 -0.02 0.03 -0.04 7.74 7.47 1pz7A1 ASN 195 H -0.08 0.13 -0.34 -0.55 8.53 7.70 1pz7A1 ASN 195 HA -0.05 0.06 0.30 -0.75 4.76 4.31 1pz7A1 ASN 195 HB2 -0.03 -0.01 -0.09 -0.04 2.88 2.71 1pz7A1 ASN 195 HB3 -0.03 0.08 0.02 -0.04 2.79 2.82 1pz7A1 ASN 195 HD21 -0.02 -0.06 -0.03 -0.04 7.03 6.88 1pz7A1 ASN 195 HD22 -0.03 0.03 -0.04 -0.04 7.74 7.66 1pz7A1 PRO 196 HA -0.09 0.14 0.57 -0.51 4.44 4.54 1pz7A1 PRO 196 HB2 -0.10 0.03 -0.07 -0.04 2.28 2.10 1pz7A1 PRO 196 HB3 -0.13 0.14 0.04 -0.04 2.02 2.03 1pz7A1 PRO 196 HG2 -0.07 0.02 -0.12 -0.04 2.03 1.82 1pz7A1 PRO 196 HG3 -0.09 -0.01 -0.01 -0.04 2.03 1.88 1pz7A1 PRO 196 HD2 -0.08 0.13 0.09 -0.04 3.68 3.78 1pz7A1 PRO 196 HD3 -0.12 -0.11 -0.12 -0.04 3.65 3.26 1pz7A1 THR 197 H -0.06 0.11 0.13 -0.55 8.28 7.91 1pz7A1 THR 197 HA -0.05 0.10 0.66 -0.75 4.39 4.34 1pz7A1 THR 197 HB -0.05 -0.06 0.16 -0.04 4.32 4.33 1pz7A1 THR 197 HG23 -0.04 0.01 -0.12 -0.04 1.22 1.02 1pz7A1 ILE 198 H -0.08 0.18 0.14 -0.55 8.25 7.95 1pz7A1 ILE 198 HA -0.15 0.10 0.60 -0.75 4.18 3.97 1pz7A1 ILE 198 HB -0.11 -0.01 0.13 -0.04 1.89 1.87 1pz7A1 ILE 198 HG12 -0.06 0.16 -0.01 -0.04 1.49 1.54 1pz7A1 ILE 198 HG13 -0.04 -0.02 0.00 -0.04 1.21 1.11 1pz7A1 ILE 198 HG23 -0.24 -0.02 -0.18 -0.04 0.93 0.44 1pz7A1 ILE 198 HD13 -0.06 -0.00 -0.15 -0.04 0.88 0.62 1pz7A1 LEU 199 H -0.20 0.31 0.27 -0.55 8.37 8.21 1pz7A1 LEU 199 HA -0.19 0.15 0.85 -0.75 4.35 4.41 1pz7A1 LEU 199 HB2 -0.10 0.04 0.06 -0.04 1.64 1.59 1pz7A1 LEU 199 HB3 -0.05 0.07 0.00 -0.04 1.64 1.62 1pz7A1 LEU 199 HG -0.06 0.06 -0.03 -0.04 1.64 1.56 1pz7A1 LEU 199 HD13 -0.08 -0.04 -0.52 -0.04 0.93 0.26 1pz7A1 LEU 199 HD23 -0.03 -0.01 -0.06 -0.04 0.89 0.75 1pz7A1 HIS 200 H -0.07 0.18 0.17 -0.55 8.41 8.15 1pz7A1 HIS 200 HA 0.06 0.14 1.00 -0.75 4.63 5.07 1pz7A1 HIS 200 HB2 0.04 0.06 0.07 -0.04 3.26 3.40 1pz7A1 HIS 200 HB3 0.06 -0.10 0.15 -0.04 3.20 3.26 1pz7A1 HIS 200 HD2 0.02 0.04 0.01 -0.04 6.97 6.98 1pz7A1 HIS 200 HE1 0.02 -0.05 -0.05 -0.04 7.75 7.63 1pz7A1 CYS 201 H 0.24 0.47 0.11 -0.55 8.50 8.77 1pz7A1 CYS 201 HA 0.13 0.08 0.05 -0.75 4.58 4.09 1pz7A1 CYS 201 HB2 0.32 -0.05 -0.22 -0.04 2.97 2.98 1pz7A1 CYS 201 HB3 0.28 0.17 0.02 -0.04 2.97 3.40