============================================================================= 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. HIS 1 0.900 -15.583 -2.888 16.456 -99.200 -91.000 PHE 2 1.000 -10.035 -0.007 17.564 -99.200 -91.000 TYR 6 0.840 -1.138 -11.514 12.235 -99.200 -91.000 PHE 12 1.000 -11.389 1.416 -0.962 -99.200 -91.000 HIS 21 0.900 -22.972 11.757 7.757 -99.200 -91.000 PHE 32 1.000 -13.344 3.989 19.742 -99.200 -91.000 HIS 37 0.900 -3.346 17.254 15.770 -99.200 -91.000 TYR 42 0.840 5.276 7.087 11.687 -99.200 -91.000 TRP 70 1.040 5.520 1.408 22.015 -99.200 -91.000 TRP6 70 1.020 6.081 -0.348 23.503 -99.200 -91.000 TYR 100 0.840 14.367 1.013 19.127 -99.200 -91.000 HIS 101 0.900 17.734 8.350 20.086 -99.200 -91.000 PHE 104 1.000 8.711 9.279 9.747 -99.200 -91.000 TYR 113 0.840 -18.316 7.759 11.712 -99.200 -91.000 PHE 114 1.000 -15.921 0.778 16.792 -99.200 -91.000 PHE 118 1.000 -16.429 -5.847 7.903 -99.200 -91.000 HIS 119 0.900 -10.977 -0.996 12.826 -99.200 -91.000 HIS 124 0.900 -8.191 17.074 5.049 -99.200 -91.000 PHE 131 1.000 -5.595 9.617 1.807 -99.200 -91.000 PHE 154 1.000 -18.757 -2.579 5.675 -99.200 -91.000 PHE 158 1.000 -18.961 2.752 3.697 -99.200 -91.000 TYR 170 0.840 -2.591 8.171 6.091 -99.200 -91.000 PHE 176 1.000 8.368 12.502 6.509 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3n10A1 HIS 4 HA -0.48 0.03 0.19 -0.75 4.63 3.61 3n10A1 HIS 4 HB2 -1.11 -0.04 -0.04 -0.04 3.26 2.03 3n10A1 HIS 4 HB3 -1.52 -0.02 -0.12 -0.04 3.20 1.50 3n10A1 HIS 4 HD2 -1.03 -0.04 -0.03 -0.04 6.97 5.82 3n10A1 HIS 4 HE1 -0.32 0.19 -0.22 -0.04 7.75 7.36 3n10A1 PHE 5 H -0.15 0.21 0.02 -0.55 8.34 7.87 3n10A1 PHE 5 HA -0.07 0.18 0.74 -0.75 4.62 4.71 3n10A1 PHE 5 HB2 -0.08 -0.01 0.03 -0.04 3.15 3.05 3n10A1 PHE 5 HB3 -0.07 -0.02 0.10 -0.04 3.06 3.03 3n10A1 PHE 5 HD2 -0.19 0.01 -0.09 -0.04 7.28 6.96 3n10A1 PHE 5 HE2 -0.93 -0.02 -0.14 -0.04 7.38 6.26 3n10A1 PHE 5 HZ -0.27 -0.04 -0.14 -0.04 7.32 6.83 3n10A1 VAL 6 H -0.05 0.20 -0.12 -0.55 8.24 7.72 3n10A1 VAL 6 HA 0.00 0.16 0.82 -0.75 4.13 4.36 3n10A1 VAL 6 HB -0.03 -0.02 -0.00 -0.04 2.12 2.03 3n10A1 VAL 6 HG13 -0.03 -0.01 -0.07 -0.04 0.97 0.82 3n10A1 VAL 6 HG23 -0.09 0.01 0.04 -0.04 0.95 0.86 3n10A1 GLY 7 H -0.02 0.27 0.18 -0.55 8.43 8.32 3n10A1 GLY 7 HA2 -0.01 -0.08 0.17 -0.51 4.01 3.58 3n10A1 GLY 7 HA3 0.01 0.13 0.42 -0.51 4.01 4.06 3n10A1 LYS 8 H -0.06 0.19 0.31 -0.55 8.42 8.31 3n10A1 LYS 8 HA -0.20 0.30 0.96 -0.75 4.32 4.63 3n10A1 LYS 8 HB2 -0.55 -0.02 0.06 -0.04 1.87 1.31 3n10A1 LYS 8 HB3 -0.49 -0.00 0.12 -0.04 1.79 1.38 3n10A1 LYS 8 HG2 -0.18 0.05 0.01 -0.04 1.46 1.30 3n10A1 LYS 8 HG3 -0.12 -0.11 -0.10 -0.04 1.46 1.08 3n10A1 LYS 8 HD2 -0.09 0.00 0.02 -0.04 1.69 1.57 3n10A1 LYS 8 HD3 -0.07 0.01 0.06 -0.04 1.68 1.65 3n10A1 LYS 8 HE2 -0.40 -0.02 -0.01 -0.04 2.99 2.53 3n10A1 LYS 8 HE3 -0.22 0.03 0.01 -0.04 2.99 2.77 3n10A1 TYR 9 H 0.05 0.38 0.27 -0.55 8.29 8.44 3n10A1 TYR 9 HA -0.01 0.26 0.97 -0.75 4.56 5.03 3n10A1 TYR 9 HB2 -0.01 -0.08 0.02 -0.04 3.06 2.96 3n10A1 TYR 9 HB3 -0.00 0.03 -0.12 -0.04 2.98 2.84 3n10A1 TYR 9 HD2 -0.01 0.01 -0.27 -0.04 7.15 6.84 3n10A1 TYR 9 HE2 -0.02 0.03 -0.12 -0.04 6.85 6.71 3n10A1 GLU 10 H 0.10 0.82 0.18 -0.55 8.60 9.16 3n10A1 GLU 10 HA 0.11 0.15 0.95 -0.75 4.29 4.75 3n10A1 GLU 10 HB2 0.10 -0.01 -0.15 -0.04 2.09 1.99 3n10A1 GLU 10 HB3 0.07 0.04 0.03 -0.04 1.99 2.09 3n10A1 GLU 10 HG2 0.10 0.04 -0.43 -0.04 2.34 2.01 3n10A1 GLU 10 HG3 0.21 -0.01 -0.23 -0.04 2.34 2.27 3n10A1 VAL 11 H 0.07 0.65 0.22 -0.55 8.24 8.63 3n10A1 VAL 11 HA 0.04 0.07 0.73 -0.75 4.13 4.22 3n10A1 VAL 11 HB 0.04 0.02 0.12 -0.04 2.12 2.26 3n10A1 VAL 11 HG13 0.03 -0.01 -0.16 -0.04 0.97 0.79 3n10A1 VAL 11 HG23 0.03 -0.02 -0.08 -0.04 0.95 0.83 3n10A1 GLU 12 H 0.02 0.23 0.24 -0.55 8.60 8.55 3n10A1 GLU 12 HA 0.03 0.32 1.04 -0.75 4.29 4.93 3n10A1 GLU 12 HB2 0.02 -0.02 -0.09 -0.04 2.09 1.96 3n10A1 GLU 12 HB3 0.03 -0.00 -0.40 -0.04 1.99 1.58 3n10A1 GLU 12 HG2 0.01 0.02 0.01 -0.04 2.34 2.34 3n10A1 GLU 12 HG3 -0.02 -0.05 -0.24 -0.04 2.34 2.00 3n10A1 LEU 13 H 0.05 0.63 0.31 -0.55 8.37 8.80 3n10A1 LEU 13 HA -0.09 0.10 0.68 -0.75 4.35 4.28 3n10A1 LEU 13 HB2 0.17 -0.02 0.10 -0.04 1.64 1.85 3n10A1 LEU 13 HB3 -0.10 0.02 -0.02 -0.04 1.64 1.50 3n10A1 LEU 13 HG 0.04 -0.01 -0.30 -0.04 1.64 1.33 3n10A1 LEU 13 HD13 0.12 0.01 -0.18 -0.04 0.93 0.84 3n10A1 LEU 13 HD23 -0.04 0.02 0.08 -0.04 0.89 0.90 3n10A1 LYS 14 H -0.22 0.20 0.10 -0.55 8.42 7.94 3n10A1 LYS 14 HA 0.08 0.25 1.13 -0.75 4.32 5.02 3n10A1 LYS 14 HB2 -0.06 -0.08 -0.07 -0.04 1.87 1.61 3n10A1 LYS 14 HB3 -0.12 0.29 0.07 -0.04 1.79 1.99 3n10A1 LYS 14 HG2 0.11 0.02 -0.19 -0.04 1.46 1.35 3n10A1 LYS 14 HG3 0.14 -0.01 -0.10 -0.04 1.46 1.45 3n10A1 LYS 14 HD2 -0.11 -0.08 -0.16 -0.04 1.69 1.30 3n10A1 LYS 14 HD3 -0.21 -0.05 -0.13 -0.04 1.68 1.25 3n10A1 LYS 14 HE2 -0.28 0.27 -0.09 -0.04 2.99 2.85 3n10A1 LYS 14 HE3 -0.42 -0.05 -0.14 -0.04 2.99 2.33 3n10A1 PHE 15 H 0.30 0.59 0.36 -0.55 8.34 9.03 3n10A1 PHE 15 HA 0.09 0.13 0.87 -0.75 4.62 4.95 3n10A1 PHE 15 HB2 0.05 -0.06 -0.02 -0.04 3.15 3.08 3n10A1 PHE 15 HB3 0.04 0.14 -0.08 -0.04 3.06 3.12 3n10A1 PHE 15 HD2 0.02 0.10 -0.26 -0.04 7.28 7.10 3n10A1 PHE 15 HE2 -0.00 -0.03 -0.41 -0.04 7.38 6.90 3n10A1 PHE 15 HZ -0.00 -0.00 -0.20 -0.04 7.32 7.07 3n10A1 ARG 16 H 0.16 0.58 0.23 -0.55 8.46 8.88 3n10A1 ARG 16 HA -0.26 0.17 0.85 -0.75 4.34 4.35 3n10A1 ARG 16 HB2 0.02 0.00 0.16 -0.04 1.90 2.04 3n10A1 ARG 16 HB3 -0.12 -0.01 0.04 -0.04 1.80 1.67 3n10A1 ARG 16 HG2 -0.27 0.02 0.08 -0.04 1.67 1.46 3n10A1 ARG 16 HG3 0.09 0.04 0.05 -0.04 1.67 1.81 3n10A1 ARG 16 HD2 0.01 -0.01 0.03 -0.04 3.22 3.21 3n10A1 ARG 16 HD3 -0.09 -0.01 0.05 -0.04 3.22 3.12 3n10A1 VAL 17 H -0.15 0.65 0.15 -0.55 8.24 8.34 3n10A1 VAL 17 HA 0.03 0.14 0.81 -0.75 4.13 4.36 3n10A1 VAL 17 HB 0.07 0.07 -0.15 -0.04 2.12 2.06 3n10A1 VAL 17 HG13 0.03 0.02 -0.37 -0.04 0.97 0.61 3n10A1 VAL 17 HG23 0.04 -0.03 -0.35 -0.04 0.95 0.57 3n10A1 MET 18 H 0.01 0.14 0.05 -0.55 8.47 8.12 3n10A1 MET 18 HA -0.01 0.21 0.65 -0.75 4.52 4.62 3n10A1 MET 18 HB2 0.00 -0.02 0.05 -0.04 2.15 2.14 3n10A1 MET 18 HB3 -0.00 0.02 0.07 -0.04 2.03 2.08 3n10A1 MET 18 HG2 0.01 0.01 -0.13 -0.04 2.63 2.47 3n10A1 MET 18 HG3 0.01 0.02 -0.03 -0.04 2.56 2.52 3n10A1 MET 18 HE3 0.01 0.01 -0.03 -0.04 2.10 2.05 3n10A1 ASP 19 H 0.01 0.10 -0.01 -0.55 8.40 7.95 3n10A1 ASP 19 HA 0.01 0.19 0.77 -0.75 4.63 4.85 3n10A1 ASP 19 HB2 0.00 0.15 -0.09 -0.04 2.71 2.73 3n10A1 ASP 19 HB3 -0.00 -0.01 0.14 -0.04 2.70 2.79 3n10A1 LEU 20 H 0.02 0.27 0.03 -0.55 8.37 8.15 3n10A1 LEU 20 HA 0.05 0.09 0.37 -0.75 4.35 4.10 3n10A1 LEU 20 HB2 0.01 0.02 0.08 -0.04 1.64 1.72 3n10A1 LEU 20 HB3 0.03 0.05 -0.04 -0.04 1.64 1.64 3n10A1 LEU 20 HG 0.04 0.02 -0.06 -0.04 1.64 1.60 3n10A1 LEU 20 HD13 0.01 0.02 -0.04 -0.04 0.93 0.88 3n10A1 LEU 20 HD23 0.07 0.01 -0.07 -0.04 0.89 0.86 3n10A1 THR 21 H 0.02 0.11 -0.13 -0.55 8.28 7.73 3n10A1 THR 21 HA 0.06 0.12 0.48 -0.75 4.39 4.30 3n10A1 THR 21 HB 0.01 -0.03 0.06 -0.04 4.32 4.32 3n10A1 THR 21 HG23 0.02 0.03 -0.09 -0.04 1.22 1.14 3n10A1 THR 22 H 0.01 0.08 -0.21 -0.55 8.28 7.60 3n10A1 THR 22 HA -0.03 0.08 0.42 -0.75 4.39 4.11 3n10A1 THR 22 HB -0.01 0.09 0.10 -0.04 4.32 4.46 3n10A1 THR 22 HG23 -0.05 0.02 -0.02 -0.04 1.22 1.13 3n10A1 LEU 23 H 0.02 0.44 -0.07 -0.55 8.37 8.22 3n10A1 LEU 23 HA 0.04 0.08 0.45 -0.75 4.35 4.17 3n10A1 LEU 23 HB2 0.06 -0.00 0.06 -0.04 1.64 1.71 3n10A1 LEU 23 HB3 0.08 0.09 0.02 -0.04 1.64 1.79 3n10A1 LEU 23 HG 0.12 -0.01 -0.07 -0.04 1.64 1.64 3n10A1 LEU 23 HD13 0.11 -0.00 -0.12 -0.04 0.93 0.88 3n10A1 LEU 23 HD23 0.26 0.00 -0.07 -0.04 0.89 1.05 3n10A1 HIS 24 H 0.10 0.53 -0.25 -0.55 8.41 8.25 3n10A1 HIS 24 HA -0.07 0.01 0.33 -0.75 4.63 4.14 3n10A1 HIS 24 HB2 -0.01 -0.01 0.09 -0.04 3.26 3.29 3n10A1 HIS 24 HB3 -0.02 0.09 0.16 -0.04 3.20 3.39 3n10A1 HIS 24 HD2 -0.01 -0.00 -0.08 -0.04 6.97 6.83 3n10A1 HIS 24 HE1 0.03 0.02 -0.03 -0.04 7.75 7.73 3n10A1 GLU 25 H -0.06 0.45 -0.17 -0.55 8.60 8.28 3n10A1 GLU 25 HA -0.23 -0.01 0.52 -0.75 4.29 3.82 3n10A1 GLU 25 HB2 -0.10 0.11 0.20 -0.04 2.09 2.26 3n10A1 GLU 25 HB3 -0.12 -0.02 0.02 -0.04 1.99 1.83 3n10A1 GLU 25 HG2 -0.06 -0.03 0.03 -0.04 2.34 2.24 3n10A1 GLU 25 HG3 -0.02 0.12 0.06 -0.04 2.34 2.45 3n10A1 GLN 26 H -0.19 0.73 0.03 -0.55 8.47 8.50 3n10A1 GLN 26 HA -0.43 0.04 0.49 -0.75 4.36 3.70 3n10A1 GLN 26 HB2 -0.35 0.02 0.18 -0.04 2.15 1.96 3n10A1 GLN 26 HB3 -1.30 0.09 0.05 -0.04 2.02 0.82 3n10A1 GLN 26 HG2 -0.30 0.07 0.10 -0.04 2.40 2.23 3n10A1 GLN 26 HG3 -0.18 0.10 0.04 -0.04 2.39 2.30 3n10A1 GLN 26 HE21 -0.05 0.02 -0.18 -0.04 6.97 6.72 3n10A1 GLN 26 HE22 -0.12 0.02 0.03 -0.04 7.69 7.59 3n10A1 LEU 27 H -0.21 0.63 -0.16 -0.55 8.37 8.07 3n10A1 LEU 27 HA -0.03 -0.01 0.38 -0.75 4.35 3.93 3n10A1 LEU 27 HB2 -0.22 0.16 0.14 -0.04 1.64 1.68 3n10A1 LEU 27 HB3 -0.24 -0.04 -0.09 -0.04 1.64 1.22 3n10A1 LEU 27 HG 0.10 0.10 -0.05 -0.04 1.64 1.75 3n10A1 LEU 27 HD13 -0.47 -0.03 -0.14 -0.04 0.93 0.25 3n10A1 LEU 27 HD23 0.00 -0.02 -0.10 -0.04 0.89 0.74 3n10A1 VAL 28 H -0.32 0.57 -0.06 -0.55 8.24 7.87 3n10A1 VAL 28 HA -0.12 0.01 0.50 -0.75 4.13 3.77 3n10A1 VAL 28 HB -0.25 0.09 0.26 -0.04 2.12 2.18 3n10A1 VAL 28 HG13 -0.09 -0.02 -0.07 -0.04 0.97 0.75 3n10A1 VAL 28 HG23 -0.39 0.02 0.05 -0.04 0.95 0.59 3n10A1 ALA 29 H -0.20 0.76 0.00 -0.55 8.40 8.42 3n10A1 ALA 29 HA -0.10 -0.05 0.37 -0.75 4.34 3.81 3n10A1 ALA 29 HB3 -0.19 0.02 0.12 -0.04 1.41 1.32 3n10A1 GLN 30 H -0.14 0.35 -0.47 -0.55 8.47 7.66 3n10A1 GLN 30 HA 0.01 0.13 0.80 -0.75 4.36 4.53 3n10A1 GLN 30 HB2 0.12 0.02 0.06 -0.04 2.15 2.31 3n10A1 GLN 30 HB3 0.24 -0.11 0.12 -0.04 2.02 2.24 3n10A1 GLN 30 HG2 -0.45 0.27 -0.00 -0.04 2.40 2.17 3n10A1 GLN 30 HG3 -0.02 -0.10 -0.05 -0.04 2.39 2.18 3n10A1 GLN 30 HE21 -0.17 -0.02 -0.15 -0.04 6.97 6.59 3n10A1 GLN 30 HE22 -0.36 0.09 -0.08 -0.04 7.69 7.30 3n10A1 LYS 31 H -0.01 0.61 -0.26 -0.55 8.42 8.21 3n10A1 LYS 31 HA 0.03 0.05 0.37 -0.75 4.32 4.02 3n10A1 LYS 31 HB2 0.08 0.05 0.10 -0.04 1.87 2.06 3n10A1 LYS 31 HB3 0.06 -0.08 0.19 -0.04 1.79 1.92 3n10A1 LYS 31 HG2 0.02 0.11 0.03 -0.04 1.46 1.58 3n10A1 LYS 31 HG3 0.03 0.02 -0.20 -0.04 1.46 1.27 3n10A1 LYS 31 HD2 0.04 -0.04 -0.01 -0.04 1.69 1.63 3n10A1 LYS 31 HD3 0.04 -0.04 0.03 -0.04 1.68 1.67 3n10A1 LYS 31 HE2 0.01 0.01 0.01 -0.04 2.99 2.98 3n10A1 LYS 31 HE3 0.01 0.03 -0.00 -0.04 2.99 2.99 3n10A1 ALA 32 H 0.08 0.45 -0.13 -0.55 8.40 8.26 3n10A1 ALA 32 HA 0.22 0.20 0.45 -0.75 4.34 4.45 3n10A1 ALA 32 HB3 0.15 -0.06 -0.05 -0.04 1.41 1.42 3n10A1 THR 33 H 0.24 0.56 0.40 -0.55 8.28 8.95 3n10A1 THR 33 HA 0.19 0.17 0.95 -0.75 4.39 4.95 3n10A1 THR 33 HB 0.14 -0.00 0.09 -0.04 4.32 4.51 3n10A1 THR 33 HG23 0.14 0.04 0.01 -0.04 1.22 1.37 3n10A1 ALA 34 H 0.10 0.14 0.13 -0.55 8.40 8.21 3n10A1 ALA 34 HA -0.41 0.08 0.65 -0.75 4.34 3.91 3n10A1 ALA 34 HB3 -0.13 -0.01 -0.02 -0.04 1.41 1.21 3n10A1 PHE 35 H -0.35 0.59 0.42 -0.55 8.34 8.44 3n10A1 PHE 35 HA -0.24 0.15 0.87 -0.75 4.62 4.65 3n10A1 PHE 35 HB2 -1.56 0.01 -0.03 -0.04 3.15 1.52 3n10A1 PHE 35 HB3 -0.62 0.02 0.07 -0.04 3.06 2.49 3n10A1 PHE 35 HD2 0.02 -0.01 -0.03 -0.04 7.28 7.23 3n10A1 PHE 35 HE2 0.12 -0.02 -0.08 -0.04 7.38 7.35 3n10A1 PHE 35 HZ 0.17 -0.02 -0.08 -0.04 7.32 7.34 3n10A1 THR 36 H -0.20 0.32 0.31 -0.55 8.28 8.16 3n10A1 THR 36 HA -0.31 0.19 0.76 -0.75 4.39 4.27 3n10A1 THR 36 HB -0.22 -0.00 -0.02 -0.04 4.32 4.03 3n10A1 THR 36 HG23 -0.96 0.01 -0.22 -0.04 1.22 0.01 3n10A1 LEU 37 H -0.14 0.26 0.13 -0.55 8.37 8.07 3n10A1 LEU 37 HA -0.11 0.09 1.12 -0.75 4.35 4.70 3n10A1 LEU 37 HB2 -0.07 0.03 0.06 -0.04 1.64 1.62 3n10A1 LEU 37 HB3 -0.04 0.02 0.02 -0.04 1.64 1.60 3n10A1 LEU 37 HG -0.18 -0.03 -0.25 -0.04 1.64 1.14 3n10A1 LEU 37 HD13 -0.02 0.01 -0.05 -0.04 0.93 0.83 3n10A1 LEU 37 HD23 -0.38 0.03 -0.13 -0.04 0.89 0.37 3n10A1 ASN 38 H 0.00 0.12 0.11 -0.55 8.53 8.22 3n10A1 ASN 38 HA 0.03 0.01 0.22 -0.75 4.76 4.27 3n10A1 ASN 38 HB2 0.01 -0.03 -0.07 -0.04 2.88 2.75 3n10A1 ASN 38 HB3 -0.01 0.11 -0.23 -0.04 2.79 2.62 3n10A1 ASN 38 HD21 0.01 -0.02 0.04 -0.04 7.03 7.02 3n10A1 ASN 38 HD22 0.00 0.02 0.04 -0.04 7.74 7.76 3n10A1 ASN 39 H -0.00 0.44 -0.04 -0.55 8.53 8.38 3n10A1 ASN 39 HA 0.02 0.30 1.02 -0.75 4.76 5.34 3n10A1 ASN 39 HB2 -0.02 0.04 -0.01 -0.04 2.88 2.85 3n10A1 ASN 39 HB3 -0.01 -0.02 -0.18 -0.04 2.79 2.54 3n10A1 ASN 39 HD21 -0.08 -0.03 -0.11 -0.04 7.03 6.77 3n10A1 ASN 39 HD22 -0.05 0.02 -0.44 -0.04 7.74 7.23 3n10A1 HIS 40 H 0.12 0.71 0.46 -0.55 8.41 9.15 3n10A1 HIS 40 HA 0.02 0.19 0.96 -0.75 4.63 5.04 3n10A1 HIS 40 HB2 0.01 0.00 0.15 -0.04 3.26 3.39 3n10A1 HIS 40 HB3 0.00 -0.02 0.26 -0.04 3.20 3.40 3n10A1 HIS 40 HD2 0.02 -0.02 -0.06 -0.04 6.97 6.87 3n10A1 HIS 40 HE1 0.01 -0.04 -0.11 -0.04 7.75 7.57 3n10A1 GLU 41 H -0.27 0.79 0.36 -0.55 8.60 8.93 3n10A1 GLU 41 HA -0.13 0.32 1.04 -0.75 4.29 4.77 3n10A1 GLU 41 HB2 -0.10 -0.02 0.04 -0.04 2.09 1.97 3n10A1 GLU 41 HB3 -0.08 -0.02 -0.15 -0.04 1.99 1.70 3n10A1 GLU 41 HG2 -0.05 0.00 -0.16 -0.04 2.34 2.09 3n10A1 GLU 41 HG3 -0.04 0.01 -0.29 -0.04 2.34 1.97 3n10A1 LYS 42 H -0.10 0.64 0.29 -0.55 8.42 8.71 3n10A1 LYS 42 HA -0.09 0.17 1.02 -0.75 4.32 4.67 3n10A1 LYS 42 HB2 0.12 0.00 0.01 -0.04 1.87 1.96 3n10A1 LYS 42 HB3 0.03 -0.01 0.22 -0.04 1.79 1.98 3n10A1 LYS 42 HG2 0.02 -0.01 -0.32 -0.04 1.46 1.11 3n10A1 LYS 42 HG3 0.06 0.00 -0.08 -0.04 1.46 1.40 3n10A1 LYS 42 HD2 0.08 0.01 -0.05 -0.04 1.69 1.69 3n10A1 LYS 42 HD3 0.06 -0.01 -0.02 -0.04 1.68 1.68 3n10A1 LYS 42 HE2 0.02 -0.02 -0.05 -0.04 2.99 2.90 3n10A1 LYS 42 HE3 0.01 -0.01 -0.11 -0.04 2.99 2.84 3n10A1 ASP 43 H 0.01 0.75 0.27 -0.55 8.40 8.88 3n10A1 ASP 43 HA -0.06 0.21 0.82 -0.75 4.63 4.85 3n10A1 ASP 43 HB2 0.16 0.06 0.18 -0.04 2.71 3.07 3n10A1 ASP 43 HB3 -0.07 -0.03 -0.14 -0.04 2.70 2.42 3n10A1 ILE 44 H -0.07 0.75 0.34 -0.55 8.25 8.72 3n10A1 ILE 44 HA -0.03 0.15 0.95 -0.75 4.18 4.50 3n10A1 ILE 44 HB -0.06 -0.03 0.23 -0.04 1.89 1.99 3n10A1 ILE 44 HG12 -0.02 0.01 -0.05 -0.04 1.49 1.40 3n10A1 ILE 44 HG13 -0.02 -0.02 -0.13 -0.04 1.21 1.00 3n10A1 ILE 44 HG23 -0.06 0.00 -0.13 -0.04 0.93 0.70 3n10A1 ILE 44 HD13 -0.02 -0.00 -0.03 -0.04 0.88 0.78 3n10A1 TYR 45 H -0.12 0.69 0.42 -0.55 8.29 8.73 3n10A1 TYR 45 HA -0.22 0.26 0.93 -0.75 4.56 4.78 3n10A1 TYR 45 HB2 -1.64 0.00 0.18 -0.04 3.06 1.56 3n10A1 TYR 45 HB3 -0.70 0.02 -0.03 -0.04 2.98 2.22 3n10A1 TYR 45 HD2 -0.14 0.05 -0.11 -0.04 7.15 6.92 3n10A1 TYR 45 HE2 0.10 -0.01 -0.13 -0.04 6.85 6.78 3n10A1 LEU 46 H -0.09 0.71 0.37 -0.55 8.37 8.82 3n10A1 LEU 46 HA -0.01 0.26 0.75 -0.75 4.35 4.59 3n10A1 LEU 46 HB2 -0.03 -0.03 -0.10 -0.04 1.64 1.44 3n10A1 LEU 46 HB3 0.04 -0.00 -0.35 -0.04 1.64 1.28 3n10A1 LEU 46 HG -0.07 0.00 -0.28 -0.04 1.64 1.25 3n10A1 LEU 46 HD13 -0.08 -0.00 -0.20 -0.04 0.93 0.62 3n10A1 LEU 46 HD23 -0.03 0.01 -0.36 -0.04 0.89 0.47 3n10A1 ASP 47 H 0.10 0.72 0.32 -0.55 8.40 9.00 3n10A1 ASP 47 HA 0.21 0.08 0.62 -0.75 4.63 4.78 3n10A1 ASP 47 HB2 0.12 0.05 -0.36 -0.04 2.71 2.48 3n10A1 ASP 47 HB3 0.13 0.13 -0.02 -0.04 2.70 2.91 3n10A1 ALA 48 H 0.21 -0.10 0.16 -0.55 8.40 8.12 3n10A1 ALA 48 HA 0.03 0.55 0.70 -0.75 4.34 4.86 3n10A1 ALA 48 HB3 0.01 -0.05 0.13 -0.04 1.41 1.46 3n10A1 ASN 49 H 0.05 0.24 0.23 -0.55 8.53 8.50 3n10A1 ASN 49 HA 0.07 0.16 0.35 -0.75 4.76 4.58 3n10A1 ASN 49 HB2 0.02 -0.03 0.17 -0.04 2.88 3.00 3n10A1 ASN 49 HB3 0.02 0.03 0.06 -0.04 2.79 2.86 3n10A1 ASN 49 HD21 -0.04 0.03 0.04 -0.04 7.03 7.03 3n10A1 ASN 49 HD22 0.00 -0.02 0.06 -0.04 7.74 7.74 3n10A1 GLY 50 H 0.04 0.03 -0.20 -0.55 8.43 7.75 3n10A1 GLY 50 HA2 0.04 0.25 0.74 -0.51 4.01 4.53 3n10A1 GLY 50 HA3 0.03 0.02 0.32 -0.51 4.01 3.88 3n10A1 GLN 51 H 0.08 0.54 -0.51 -0.55 8.47 8.03 3n10A1 GLN 51 HA 0.11 0.02 0.27 -0.75 4.36 4.01 3n10A1 GLN 51 HB2 0.07 0.16 -0.24 -0.04 2.15 2.09 3n10A1 GLN 51 HB3 0.09 -0.12 0.18 -0.04 2.02 2.13 3n10A1 GLN 51 HG2 0.12 0.01 0.02 -0.04 2.40 2.50 3n10A1 GLN 51 HG3 0.08 0.08 -0.08 -0.04 2.39 2.43 3n10A1 GLN 51 HE21 0.05 0.01 -0.03 -0.04 6.97 6.97 3n10A1 GLN 51 HE22 0.06 0.03 -0.05 -0.04 7.69 7.69 3n10A1 ASP 52 H 0.08 0.01 -0.31 -0.55 8.40 7.63 3n10A1 ASP 52 HA 0.06 0.18 0.18 -0.75 4.63 4.30 3n10A1 ASP 52 HB2 0.12 -0.07 0.03 -0.04 2.71 2.76 3n10A1 ASP 52 HB3 0.08 0.09 -0.02 -0.04 2.70 2.81 3n10A1 LEU 53 H 0.13 -0.05 -0.16 -0.55 8.37 7.75 3n10A1 LEU 53 HA 0.08 0.14 0.48 -0.75 4.35 4.29 3n10A1 LEU 53 HB2 0.11 -0.13 0.14 -0.04 1.64 1.73 3n10A1 LEU 53 HB3 0.07 0.29 -0.13 -0.04 1.64 1.83 3n10A1 LEU 53 HG -0.01 0.05 -0.14 -0.04 1.64 1.51 3n10A1 LEU 53 HD13 0.09 -0.00 -0.08 -0.04 0.93 0.89 3n10A1 LEU 53 HD23 -0.11 -0.01 -0.05 -0.04 0.89 0.68 3n10A1 ALA 54 H 0.10 0.03 -0.08 -0.55 8.40 7.91 3n10A1 ALA 54 HA 0.09 0.11 0.45 -0.75 4.34 4.24 3n10A1 ALA 54 HB3 0.11 0.03 0.09 -0.04 1.41 1.60 3n10A1 LYS 55 H 0.07 0.48 -0.21 -0.55 8.42 8.20 3n10A1 LYS 55 HA 0.04 0.04 0.47 -0.75 4.32 4.12 3n10A1 LYS 55 HB2 0.05 0.10 0.04 -0.04 1.87 2.02 3n10A1 LYS 55 HB3 0.03 -0.04 0.09 -0.04 1.79 1.83 3n10A1 LYS 55 HG2 0.04 -0.05 0.02 -0.04 1.46 1.43 3n10A1 LYS 55 HG3 0.05 0.08 0.04 -0.04 1.46 1.59 3n10A1 LYS 55 HD2 0.04 0.04 -0.09 -0.04 1.69 1.65 3n10A1 LYS 55 HD3 0.03 -0.06 -0.00 -0.04 1.68 1.61 3n10A1 LYS 55 HE2 0.03 -0.06 -0.01 -0.04 2.99 2.91 3n10A1 LYS 55 HE3 0.04 -0.02 -0.03 -0.04 2.99 2.94 3n10A1 GLN 56 H 0.05 0.33 -0.54 -0.55 8.47 7.76 3n10A1 GLN 56 HA 0.03 0.15 0.83 -0.75 4.36 4.62 3n10A1 GLN 56 HB2 0.04 0.07 0.13 -0.04 2.15 2.34 3n10A1 GLN 56 HB3 0.03 -0.06 0.17 -0.04 2.02 2.12 3n10A1 GLN 56 HG2 0.03 -0.02 -0.02 -0.04 2.40 2.35 3n10A1 GLN 56 HG3 0.05 0.19 -0.01 -0.04 2.39 2.57 3n10A1 GLN 56 HE21 0.07 -0.07 -0.08 -0.04 6.97 6.84 3n10A1 GLN 56 HE22 0.07 0.25 -0.13 -0.04 7.69 7.84 3n10A1 GLN 57 H 0.04 0.51 -0.19 -0.55 8.47 8.29 3n10A1 GLN 57 HA 0.04 0.09 0.35 -0.75 4.36 4.09 3n10A1 GLN 57 HB2 0.02 0.20 0.26 -0.04 2.15 2.59 3n10A1 GLN 57 HB3 0.02 -0.22 0.35 -0.04 2.02 2.13 3n10A1 GLN 57 HG2 0.02 0.03 0.02 -0.04 2.40 2.44 3n10A1 GLN 57 HG3 0.02 0.07 -0.23 -0.04 2.39 2.21 3n10A1 GLN 57 HE21 0.01 -0.03 -0.01 -0.04 6.97 6.90 3n10A1 GLN 57 HE22 0.01 0.05 -0.03 -0.04 7.69 7.69 3n10A1 ILE 58 H 0.05 0.51 -0.07 -0.55 8.25 8.19 3n10A1 ILE 58 HA 0.02 0.36 1.02 -0.75 4.18 4.83 3n10A1 ILE 58 HB 0.03 -0.06 0.03 -0.04 1.89 1.85 3n10A1 ILE 58 HG12 -0.01 0.06 -0.29 -0.04 1.49 1.21 3n10A1 ILE 58 HG13 0.02 0.08 -0.32 -0.04 1.21 0.94 3n10A1 ILE 58 HG23 -0.03 -0.00 -0.24 -0.04 0.93 0.62 3n10A1 ILE 58 HD13 0.00 -0.02 -0.08 -0.04 0.88 0.74 3n10A1 SER 59 H 0.03 0.59 0.23 -0.55 8.46 8.76 3n10A1 SER 59 HA 0.13 0.13 0.78 -0.75 4.49 4.78 3n10A1 SER 59 HB2 0.10 0.00 0.00 -0.04 3.95 4.02 3n10A1 SER 59 HB3 0.21 -0.03 -0.11 -0.04 3.93 3.96 3n10A1 MET 60 H 0.00 0.25 0.17 -0.55 8.47 8.34 3n10A1 MET 60 HA -0.09 0.36 1.08 -0.75 4.52 5.12 3n10A1 MET 60 HB2 -0.08 0.01 -0.09 -0.04 2.15 1.94 3n10A1 MET 60 HB3 -0.07 0.04 0.13 -0.04 2.03 2.09 3n10A1 MET 60 HG2 0.11 -0.07 -0.21 -0.04 2.63 2.42 3n10A1 MET 60 HG3 0.14 0.20 0.10 -0.04 2.56 2.95 3n10A1 MET 60 HE3 -0.55 -0.01 -0.14 -0.04 2.10 1.36 3n10A1 VAL 61 H -0.10 0.71 0.34 -0.55 8.24 8.65 3n10A1 VAL 61 HA -0.32 0.34 0.97 -0.75 4.13 4.37 3n10A1 VAL 61 HB -0.24 -0.02 -0.04 -0.04 2.12 1.77 3n10A1 VAL 61 HG13 -0.26 -0.03 -0.39 -0.04 0.97 0.26 3n10A1 VAL 61 HG23 -1.02 -0.02 -0.36 -0.04 0.95 -0.48 3n10A1 LEU 62 H -0.11 0.64 0.33 -0.55 8.37 8.69 3n10A1 LEU 62 HA 0.03 0.27 1.01 -0.75 4.35 4.90 3n10A1 LEU 62 HB2 -0.06 -0.03 0.21 -0.04 1.64 1.72 3n10A1 LEU 62 HB3 -0.04 -0.02 0.06 -0.04 1.64 1.60 3n10A1 LEU 62 HG -0.06 0.00 -0.13 -0.04 1.64 1.41 3n10A1 LEU 62 HD13 -0.12 0.00 -0.06 -0.04 0.93 0.71 3n10A1 LEU 62 HD23 -0.09 0.03 0.02 -0.04 0.89 0.81 3n10A1 ARG 63 H -0.01 0.78 0.30 -0.55 8.46 8.98 3n10A1 ARG 63 HA -0.05 0.31 0.97 -0.75 4.34 4.82 3n10A1 ARG 63 HB2 -0.06 -0.03 -0.16 -0.04 1.90 1.61 3n10A1 ARG 63 HB3 -0.04 -0.03 0.03 -0.04 1.80 1.72 3n10A1 ARG 63 HG2 -0.03 -0.03 -0.50 -0.04 1.67 1.07 3n10A1 ARG 63 HG3 -0.04 0.02 -0.24 -0.04 1.67 1.37 3n10A1 ARG 63 HD2 -0.05 -0.01 -0.21 -0.04 3.22 2.91 3n10A1 ARG 63 HD3 -0.04 -0.00 -0.24 -0.04 3.22 2.90 3n10A1 GLU 64 H -0.03 0.57 0.34 -0.55 8.60 8.95 3n10A1 GLU 64 HA -0.01 0.26 1.03 -0.75 4.29 4.81 3n10A1 GLU 64 HB2 0.01 -0.03 0.16 -0.04 2.09 2.19 3n10A1 GLU 64 HB3 0.01 0.04 -0.04 -0.04 1.99 1.96 3n10A1 GLU 64 HG2 -0.01 0.06 -0.02 -0.04 2.34 2.34 3n10A1 GLU 64 HG3 -0.01 -0.02 -0.14 -0.04 2.34 2.13 3n10A1 MET 65 H -0.01 0.68 0.18 -0.55 8.47 8.77 3n10A1 MET 65 HA -0.02 0.29 0.88 -0.75 4.52 4.92 3n10A1 MET 65 HB2 -0.02 -0.09 0.07 -0.04 2.15 2.07 3n10A1 MET 65 HB3 -0.03 -0.02 -0.08 -0.04 2.03 1.87 3n10A1 MET 65 HG2 -0.03 0.01 -0.26 -0.04 2.63 2.31 3n10A1 MET 65 HG3 -0.03 0.02 -0.33 -0.04 2.56 2.18 3n10A1 MET 65 HE3 -0.04 0.01 -0.27 -0.04 2.10 1.75 3n10A1 ASN 66 H 0.04 0.76 0.37 -0.55 8.53 9.16 3n10A1 ASN 66 HA 0.01 -0.03 0.80 -0.75 4.76 4.79 3n10A1 ASN 66 HB2 0.10 0.04 0.13 -0.04 2.88 3.10 3n10A1 ASN 66 HB3 0.03 0.04 0.05 -0.04 2.79 2.87 3n10A1 ASN 66 HD21 0.01 0.02 -0.08 -0.04 7.03 6.94 3n10A1 ASN 66 HD22 0.01 -0.03 0.09 -0.04 7.74 7.77 3n10A1 PRO 67 HA -0.00 0.07 0.39 -0.51 4.44 4.39 3n10A1 PRO 67 HB2 -0.02 0.06 0.09 -0.04 2.28 2.37 3n10A1 PRO 67 HB3 -0.01 0.03 0.12 -0.04 2.02 2.13 3n10A1 PRO 67 HG2 -0.03 0.04 0.02 -0.04 2.03 2.02 3n10A1 PRO 67 HG3 -0.01 0.06 0.11 -0.04 2.03 2.15 3n10A1 PRO 67 HD2 -0.02 0.08 0.10 -0.04 3.68 3.81 3n10A1 PRO 67 HD3 0.01 0.22 0.59 -0.04 3.65 4.42 3n10A1 SER 68 H -0.03 0.10 -0.14 -0.55 8.46 7.85 3n10A1 SER 68 HA -0.05 0.11 0.24 -0.75 4.49 4.03 3n10A1 SER 68 HB2 -0.11 0.06 0.09 -0.04 3.95 3.94 3n10A1 SER 68 HB3 -0.10 0.01 0.03 -0.04 3.93 3.84 3n10A1 GLY 69 H -0.01 0.21 -0.28 -0.55 8.43 7.80 3n10A1 GLY 69 HA2 -0.01 -0.02 0.33 -0.51 4.01 3.80 3n10A1 GLY 69 HA3 -0.01 0.08 0.41 -0.51 4.01 3.97 3n10A1 ILE 70 H -0.02 -0.03 -0.42 -0.55 8.25 7.23 3n10A1 ILE 70 HA -0.00 0.09 0.46 -0.75 4.18 3.97 3n10A1 ILE 70 HB -0.02 -0.09 -0.00 -0.04 1.89 1.74 3n10A1 ILE 70 HG12 0.01 0.02 -0.03 -0.04 1.49 1.46 3n10A1 ILE 70 HG13 -0.02 0.13 -0.11 -0.04 1.21 1.16 3n10A1 ILE 70 HG23 0.00 -0.00 -0.14 -0.04 0.93 0.75 3n10A1 ILE 70 HD13 -0.03 -0.01 -0.07 -0.04 0.88 0.73 3n10A1 ARG 71 H 0.00 0.25 0.28 -0.55 8.46 8.44 3n10A1 ARG 71 HA -0.00 0.32 0.91 -0.75 4.34 4.81 3n10A1 ARG 71 HB2 0.00 0.18 0.15 -0.04 1.90 2.19 3n10A1 ARG 71 HB3 0.00 -0.09 0.01 -0.04 1.80 1.68 3n10A1 ARG 71 HG2 -0.00 -0.07 0.05 -0.04 1.67 1.60 3n10A1 ARG 71 HG3 -0.00 0.14 -0.29 -0.04 1.67 1.47 3n10A1 ARG 71 HD2 -0.00 0.14 0.01 -0.04 3.22 3.33 3n10A1 ARG 71 HD3 -0.01 -0.21 -0.14 -0.04 3.22 2.82 3n10A1 LEU 72 H 0.00 0.61 0.30 -0.55 8.37 8.73 3n10A1 LEU 72 HA 0.04 0.25 1.00 -0.75 4.35 4.88 3n10A1 LEU 72 HB2 -0.03 -0.07 -0.05 -0.04 1.64 1.45 3n10A1 LEU 72 HB3 -0.03 0.06 -0.19 -0.04 1.64 1.43 3n10A1 LEU 72 HG -0.03 -0.07 -0.35 -0.04 1.64 1.15 3n10A1 LEU 72 HD13 -0.10 0.00 -0.20 -0.04 0.93 0.59 3n10A1 LEU 72 HD23 -0.03 0.03 -0.21 -0.04 0.89 0.64 3n10A1 TRP 73 H 0.18 0.68 0.33 -0.55 7.97 8.60 3n10A1 TRP 73 HA -0.10 0.25 1.00 -0.75 4.62 5.01 3n10A1 TRP 73 HB2 -0.07 -0.06 0.07 -0.04 3.23 3.13 3n10A1 TRP 73 HB3 -0.06 0.02 0.18 -0.04 3.23 3.32 3n10A1 TRP 73 HD1 -0.12 0.11 -0.01 -0.04 7.22 7.16 3n10A1 TRP 73 HE1 -0.15 0.00 -0.13 -0.04 10.20 9.88 3n10A1 TRP 73 HE3 -0.05 -0.01 -0.04 -0.04 7.59 7.45 3n10A1 TRP 73 HZ2 -0.11 0.02 -0.09 -0.04 7.44 7.22 3n10A1 TRP 73 HZ3 -0.04 -0.00 -0.05 -0.04 7.13 7.00 3n10A1 TRP 73 HH2 -0.05 0.01 -0.06 -0.04 7.19 7.05 3n10A1 ILE 74 H 0.07 0.75 0.33 -0.55 8.25 8.85 3n10A1 ILE 74 HA -0.28 0.30 1.11 -0.75 4.18 4.56 3n10A1 ILE 74 HB -0.13 -0.10 0.04 -0.04 1.89 1.66 3n10A1 ILE 74 HG12 -0.11 0.05 -0.22 -0.04 1.49 1.17 3n10A1 ILE 74 HG13 -0.07 -0.13 -0.59 -0.04 1.21 0.38 3n10A1 ILE 74 HG23 -0.13 0.02 -0.25 -0.04 0.93 0.53 3n10A1 ILE 74 HD13 -0.08 -0.01 -0.21 -0.04 0.88 0.53 3n10A1 VAL 75 H -0.33 0.72 0.32 -0.55 8.24 8.39 3n10A1 VAL 75 HA -0.18 0.22 0.98 -0.75 4.13 4.40 3n10A1 VAL 75 HB -0.34 -0.03 0.14 -0.04 2.12 1.84 3n10A1 VAL 75 HG13 -0.14 0.02 -0.15 -0.04 0.97 0.65 3n10A1 VAL 75 HG23 -0.42 -0.03 -0.13 -0.04 0.95 0.33 3n10A1 LYS 76 H -0.08 0.68 0.29 -0.55 8.42 8.75 3n10A1 LYS 76 HA -0.07 0.22 0.98 -0.75 4.32 4.70 3n10A1 LYS 76 HB2 0.00 -0.14 0.10 -0.04 1.87 1.79 3n10A1 LYS 76 HB3 0.00 0.11 -0.01 -0.04 1.79 1.86 3n10A1 LYS 76 HG2 -0.05 0.07 -0.09 -0.04 1.46 1.35 3n10A1 LYS 76 HG3 -0.06 -0.09 -0.22 -0.04 1.46 1.05 3n10A1 LYS 76 HD2 0.04 -0.11 -0.13 -0.04 1.69 1.46 3n10A1 LYS 76 HD3 0.02 0.07 -0.09 -0.04 1.68 1.65 3n10A1 LYS 76 HE2 -0.00 0.07 -0.14 -0.04 2.99 2.88 3n10A1 LYS 76 HE3 -0.00 -0.06 -0.16 -0.04 2.99 2.72 3n10A1 GLY 77 H -0.03 0.62 0.13 -0.55 8.43 8.60 3n10A1 GLY 77 HA2 0.00 0.12 -0.07 -0.51 4.01 3.55 3n10A1 GLY 77 HA3 0.00 0.24 0.76 -0.51 4.01 4.50 3n10A1 PRO 78 HA 0.01 0.31 0.29 -0.51 4.44 4.54 3n10A1 PRO 78 HB2 0.02 -0.10 0.08 -0.04 2.28 2.23 3n10A1 PRO 78 HB3 0.02 0.31 0.17 -0.04 2.02 2.48 3n10A1 PRO 78 HG2 0.01 -0.04 0.11 -0.04 2.03 2.07 3n10A1 PRO 78 HG3 0.01 0.05 0.08 -0.04 2.03 2.13 3n10A1 PRO 78 HD2 -0.01 -0.02 0.20 -0.04 3.68 3.82 3n10A1 PRO 78 HD3 -0.02 0.13 0.37 -0.04 3.65 4.09 3n10A1 GLY 79 H 0.02 0.48 0.37 -0.55 8.43 8.74 3n10A1 GLY 79 HA2 0.02 0.03 0.41 -0.51 4.01 3.95 3n10A1 GLY 79 HA3 0.02 0.03 0.60 -0.51 4.01 4.15 3n10A1 ALA 80 H 0.02 0.12 0.19 -0.55 8.40 8.18 3n10A1 ALA 80 HA 0.01 0.19 0.37 -0.75 4.34 4.16 3n10A1 ALA 80 HB3 -0.00 0.01 0.11 -0.04 1.41 1.48 3n10A1 GLU 81 H 0.04 0.01 -0.11 -0.55 8.60 7.99 3n10A1 GLU 81 HA 0.06 0.37 1.01 -0.75 4.29 4.97 3n10A1 GLU 81 HB2 0.06 -0.06 0.02 -0.04 2.09 2.06 3n10A1 GLU 81 HB3 0.16 -0.00 0.00 -0.04 1.99 2.12 3n10A1 GLU 81 HG2 0.12 -0.08 -0.12 -0.04 2.34 2.22 3n10A1 GLU 81 HG3 0.09 0.18 -0.04 -0.04 2.34 2.53 3n10A1 ARG 82 H 0.07 0.03 0.03 -0.55 8.46 8.03 3n10A1 ARG 82 HA -0.11 0.18 0.62 -0.75 4.34 4.27 3n10A1 ARG 82 HB2 -0.01 -0.08 -0.05 -0.04 1.90 1.71 3n10A1 ARG 82 HB3 -0.10 0.19 -0.05 -0.04 1.80 1.79 3n10A1 ARG 82 HG2 0.03 -0.06 0.01 -0.04 1.67 1.61 3n10A1 ARG 82 HG3 0.09 -0.01 0.01 -0.04 1.67 1.71 3n10A1 ARG 82 HD2 0.04 -0.08 -0.02 -0.04 3.22 3.12 3n10A1 ARG 82 HD3 -0.03 0.14 -0.13 -0.04 3.22 3.16 3n10A1 CYS 83 H -0.16 0.70 0.22 -0.55 8.50 8.72 3n10A1 CYS 83 HA -0.09 0.16 0.75 -0.75 4.58 4.64 3n10A1 CYS 83 HB2 -0.01 0.10 -0.38 -0.04 2.97 2.63 3n10A1 CYS 83 HB3 -0.01 -0.07 -0.13 -0.04 2.97 2.72 3n10A1 GLU 84 H -0.17 0.69 0.34 -0.55 8.60 8.92 3n10A1 GLU 84 HA -0.14 0.26 0.90 -0.75 4.29 4.56 3n10A1 GLU 84 HB2 -0.25 -0.03 0.11 -0.04 2.09 1.88 3n10A1 GLU 84 HB3 -0.21 -0.00 0.09 -0.04 1.99 1.82 3n10A1 GLU 84 HG2 -0.17 0.19 0.22 -0.04 2.34 2.54 3n10A1 GLU 84 HG3 -0.20 -0.01 -0.17 -0.04 2.34 1.91 3n10A1 ALA 85 H -0.14 0.30 0.22 -0.55 8.40 8.24 3n10A1 ALA 85 HA -0.25 0.31 1.02 -0.75 4.34 4.67 3n10A1 ALA 85 HB3 -0.12 -0.02 -0.10 -0.04 1.41 1.14 3n10A1 SER 86 H -0.10 0.66 0.35 -0.55 8.46 8.82 3n10A1 SER 86 HA -0.03 0.14 0.85 -0.75 4.49 4.69 3n10A1 SER 86 HB2 -0.09 0.02 -0.02 -0.04 3.95 3.81 3n10A1 SER 86 HB3 0.13 -0.06 0.10 -0.04 3.93 4.06 3n10A1 ASN 87 H 0.02 0.13 0.13 -0.55 8.53 8.27 3n10A1 ASN 87 HA 0.03 0.19 0.88 -0.75 4.76 5.10 3n10A1 ASN 87 HB2 0.03 -0.03 0.18 -0.04 2.88 3.01 3n10A1 ASN 87 HB3 0.03 -0.00 -0.08 -0.04 2.79 2.70 3n10A1 ASN 87 HD21 0.02 -0.06 0.07 -0.04 7.03 7.01 3n10A1 ASN 87 HD22 0.02 0.04 0.04 -0.04 7.74 7.80 3n10A1 ILE 88 H 0.04 0.68 0.32 -0.55 8.25 8.74 3n10A1 ILE 88 HA 0.04 0.18 0.84 -0.75 4.18 4.49 3n10A1 ILE 88 HB 0.00 -0.12 -0.02 -0.04 1.89 1.71 3n10A1 ILE 88 HG12 0.06 0.07 -0.33 -0.04 1.49 1.24 3n10A1 ILE 88 HG13 0.01 -0.04 -0.34 -0.04 1.21 0.80 3n10A1 ILE 88 HG23 0.15 0.04 -0.24 -0.04 0.93 0.84 3n10A1 ILE 88 HD13 -0.00 0.00 -0.22 -0.04 0.88 0.62 3n10A1 GLU 89 H 0.01 0.13 0.12 -0.55 8.60 8.31 3n10A1 GLU 89 HA 0.00 0.29 0.94 -0.75 4.29 4.77 3n10A1 GLU 89 HB2 -0.00 0.03 0.10 -0.04 2.09 2.18 3n10A1 GLU 89 HB3 0.01 0.04 0.05 -0.04 1.99 2.05 3n10A1 GLU 89 HG2 -0.00 -0.09 0.14 -0.04 2.34 2.34 3n10A1 GLU 89 HG3 -0.01 -0.01 -0.07 -0.04 2.34 2.21 3n10A1 ASP 90 H -0.02 0.10 -0.10 -0.55 8.40 7.83 3n10A1 ASP 90 HA -0.02 0.22 0.92 -0.75 4.63 5.00 3n10A1 ASP 90 HB2 -0.02 0.13 -0.17 -0.04 2.71 2.60 3n10A1 ASP 90 HB3 -0.03 -0.02 0.14 -0.04 2.70 2.74 3n10A1 VAL 91 H -0.02 0.30 0.05 -0.55 8.24 8.02 3n10A1 VAL 91 HA -0.06 0.09 0.37 -0.75 4.13 3.77 3n10A1 VAL 91 HB -0.02 0.01 0.09 -0.04 2.12 2.15 3n10A1 VAL 91 HG13 -0.04 0.02 -0.15 -0.04 0.97 0.75 3n10A1 VAL 91 HG23 -0.02 0.04 -0.08 -0.04 0.95 0.85 3n10A1 SER 92 H -0.03 0.14 -0.06 -0.55 8.46 7.95 3n10A1 SER 92 HA -0.04 0.11 0.31 -0.75 4.49 4.12 3n10A1 SER 92 HB2 -0.03 0.07 0.02 -0.04 3.95 3.97 3n10A1 SER 92 HB3 -0.02 0.05 0.08 -0.04 3.93 3.99 3n10A1 LYS 93 H -0.05 0.04 -0.45 -0.55 8.42 7.41 3n10A1 LYS 93 HA -0.06 0.07 0.33 -0.75 4.32 3.92 3n10A1 LYS 93 HB2 -0.04 -0.01 0.06 -0.04 1.87 1.84 3n10A1 LYS 93 HB3 -0.06 0.08 0.13 -0.04 1.79 1.90 3n10A1 LYS 93 HG2 -0.05 0.01 -0.01 -0.04 1.46 1.37 3n10A1 LYS 93 HG3 -0.08 0.02 -0.20 -0.04 1.46 1.16 3n10A1 LYS 93 HD2 -0.05 0.03 -0.02 -0.04 1.69 1.61 3n10A1 LYS 93 HD3 -0.06 -0.04 0.05 -0.04 1.68 1.59 3n10A1 LYS 93 HE2 -0.03 -0.04 -0.00 -0.04 2.99 2.87 3n10A1 LYS 93 HE3 -0.03 0.02 -0.01 -0.04 2.99 2.93 3n10A1 VAL 94 H -0.11 0.45 -0.00 -0.55 8.24 8.03 3n10A1 VAL 94 HA -0.24 0.04 0.52 -0.75 4.13 3.70 3n10A1 VAL 94 HB -0.21 0.05 0.12 -0.04 2.12 2.04 3n10A1 VAL 94 HG13 -0.69 0.01 -0.11 -0.04 0.97 0.13 3n10A1 VAL 94 HG23 -0.18 0.01 0.03 -0.04 0.95 0.77 3n10A1 GLN 95 H -0.13 0.69 -0.11 -0.55 8.47 8.37 3n10A1 GLN 95 HA -0.14 0.01 0.41 -0.75 4.36 3.88 3n10A1 GLN 95 HB2 -0.08 -0.01 0.05 -0.04 2.15 2.06 3n10A1 GLN 95 HB3 -0.06 0.07 0.10 -0.04 2.02 2.08 3n10A1 GLN 95 HG2 -0.04 0.03 -0.15 -0.04 2.40 2.20 3n10A1 GLN 95 HG3 -0.06 -0.01 0.01 -0.04 2.39 2.29 3n10A1 GLN 95 HE21 -0.01 -0.01 -0.03 -0.04 6.97 6.88 3n10A1 GLN 95 HE22 0.00 0.03 -0.02 -0.04 7.69 7.66 3n10A1 SER 96 H -0.08 0.50 -0.18 -0.55 8.46 8.15 3n10A1 SER 96 HA -0.04 0.02 0.46 -0.75 4.49 4.17 3n10A1 SER 96 HB2 -0.04 0.04 0.14 -0.04 3.95 4.05 3n10A1 SER 96 HB3 -0.06 0.10 0.18 -0.04 3.93 4.12 3n10A1 MET 97 H -0.11 0.57 -0.03 -0.55 8.47 8.35 3n10A1 MET 97 HA -0.07 0.01 0.48 -0.75 4.52 4.18 3n10A1 MET 97 HB2 -0.19 0.08 0.20 -0.04 2.15 2.21 3n10A1 MET 97 HB3 -0.13 -0.03 0.03 -0.04 2.03 1.85 3n10A1 MET 97 HG2 -0.07 -0.03 0.04 -0.04 2.63 2.52 3n10A1 MET 97 HG3 -0.09 0.08 0.08 -0.04 2.56 2.60 3n10A1 MET 97 HE3 -0.09 0.00 -0.02 -0.04 2.10 1.96 3n10A1 LEU 98 H -0.18 0.73 -0.05 -0.55 8.37 8.32 3n10A1 LEU 98 HA 0.00 0.00 0.60 -0.75 4.35 4.20 3n10A1 LEU 98 HB2 -0.14 0.09 0.09 -0.04 1.64 1.64 3n10A1 LEU 98 HB3 -0.00 -0.07 -0.02 -0.04 1.64 1.50 3n10A1 LEU 98 HG -0.43 0.12 0.02 -0.04 1.64 1.32 3n10A1 LEU 98 HD13 -0.56 -0.03 -0.15 -0.04 0.93 0.15 3n10A1 LEU 98 HD23 -0.22 -0.01 -0.07 -0.04 0.89 0.55 3n10A1 ALA 99 H -0.10 0.49 -0.21 -0.55 8.40 8.04 3n10A1 ALA 99 HA -0.40 0.19 0.43 -0.75 4.34 3.81 3n10A1 ALA 99 HB3 -0.01 0.01 0.13 -0.04 1.41 1.50 3n10A1 THR 100 H -0.06 0.51 -0.12 -0.55 8.28 8.05 3n10A1 THR 100 HA -0.03 0.00 0.49 -0.75 4.39 4.10 3n10A1 THR 100 HB -0.04 0.16 0.17 -0.04 4.32 4.57 3n10A1 THR 100 HG23 -0.02 -0.03 -0.03 -0.04 1.22 1.10 3n10A1 LEU 101 H -0.06 0.33 -0.38 -0.55 8.37 7.72 3n10A1 LEU 101 HA -0.07 0.06 0.44 -0.75 4.35 4.03 3n10A1 LEU 101 HB2 0.13 0.08 0.08 -0.04 1.64 1.89 3n10A1 LEU 101 HB3 0.06 -0.08 0.11 -0.04 1.64 1.69 3n10A1 LEU 101 HG 0.00 0.25 0.05 -0.04 1.64 1.91 3n10A1 LEU 101 HD13 0.10 -0.03 -0.04 -0.04 0.93 0.92 3n10A1 LEU 101 HD23 0.01 -0.02 -0.05 -0.04 0.89 0.80 3n10A1 GLY 102 H -0.23 0.40 -0.50 -0.55 8.43 7.55 3n10A1 GLY 102 HA2 -0.14 0.06 0.25 -0.51 4.01 3.67 3n10A1 GLY 102 HA3 -0.31 0.04 0.66 -0.51 4.01 3.89 3n10A1 TYR 103 H -0.36 0.53 -0.04 -0.55 8.29 7.87 3n10A1 TYR 103 HA -0.11 0.11 0.48 -0.75 4.56 4.29 3n10A1 TYR 103 HB2 -0.13 -0.01 -0.14 -0.04 3.06 2.74 3n10A1 TYR 103 HB3 -0.07 -0.07 -0.29 -0.04 2.98 2.52 3n10A1 TYR 103 HD2 -0.04 -0.05 -0.15 -0.04 7.15 6.88 3n10A1 TYR 103 HE2 0.01 -0.05 -0.09 -0.04 6.85 6.69 3n10A1 HIS 104 H 0.10 0.63 0.25 -0.55 8.41 8.85 3n10A1 HIS 104 HA 0.02 0.17 0.84 -0.75 4.63 4.90 3n10A1 HIS 104 HB2 0.02 0.04 0.01 -0.04 3.26 3.28 3n10A1 HIS 104 HB3 0.00 0.03 0.05 -0.04 3.20 3.24 3n10A1 HIS 104 HD2 -0.02 0.03 -0.08 -0.04 6.97 6.85 3n10A1 HIS 104 HE1 -0.03 0.01 -0.06 -0.04 7.75 7.63 3n10A1 PRO 105 HA -0.03 0.14 0.52 -0.51 4.44 4.56 3n10A1 PRO 105 HB2 0.01 0.03 0.02 -0.04 2.28 2.30 3n10A1 PRO 105 HB3 -0.02 -0.01 0.03 -0.04 2.02 1.98 3n10A1 PRO 105 HG2 0.02 0.02 0.05 -0.04 2.03 2.08 3n10A1 PRO 105 HG3 -0.00 0.01 0.02 -0.04 2.03 2.02 3n10A1 PRO 105 HD2 0.10 0.11 0.17 -0.04 3.68 4.02 3n10A1 PRO 105 HD3 0.07 0.15 0.19 -0.04 3.65 4.02 3n10A1 ALA 106 H -0.13 0.57 0.49 -0.55 8.40 8.78 3n10A1 ALA 106 HA 0.07 0.18 0.83 -0.75 4.34 4.66 3n10A1 ALA 106 HB3 0.01 -0.02 0.02 -0.04 1.41 1.38 3n10A1 PHE 107 H -0.42 0.31 0.38 -0.55 8.34 8.05 3n10A1 PHE 107 HA -0.19 0.11 0.41 -0.75 4.62 4.19 3n10A1 PHE 107 HB2 -1.18 0.02 0.11 -0.04 3.15 2.06 3n10A1 PHE 107 HB3 -0.51 0.21 0.08 -0.04 3.06 2.80 3n10A1 PHE 107 HD2 -0.43 0.09 -0.39 -0.04 7.28 6.51 3n10A1 PHE 107 HE2 -0.76 -0.01 -0.13 -0.04 7.38 6.44 3n10A1 PHE 107 HZ -0.41 0.01 -0.09 -0.04 7.32 6.79 3n10A1 THR 108 H -0.06 0.27 0.20 -0.55 8.28 8.14 3n10A1 THR 108 HA 0.04 0.31 1.12 -0.75 4.39 5.11 3n10A1 THR 108 HB 0.02 -0.01 0.05 -0.04 4.32 4.34 3n10A1 THR 108 HG23 0.04 0.00 -0.22 -0.04 1.22 1.00 3n10A1 ILE 109 H 0.16 0.61 0.30 -0.55 8.25 8.77 3n10A1 ILE 109 HA 0.09 0.15 0.84 -0.75 4.18 4.51 3n10A1 ILE 109 HB 0.30 -0.04 0.05 -0.04 1.89 2.16 3n10A1 ILE 109 HG12 0.14 0.12 -0.12 -0.04 1.49 1.59 3n10A1 ILE 109 HG13 0.13 -0.05 -0.36 -0.04 1.21 0.89 3n10A1 ILE 109 HG23 0.05 -0.00 -0.17 -0.04 0.93 0.77 3n10A1 ILE 109 HD13 0.08 -0.01 -0.24 -0.04 0.88 0.67 3n10A1 GLU 110 H 0.04 0.18 0.18 -0.55 8.60 8.46 3n10A1 GLU 110 HA -0.08 0.37 1.18 -0.75 4.29 5.00 3n10A1 GLU 110 HB2 0.09 -0.05 0.11 -0.04 2.09 2.20 3n10A1 GLU 110 HB3 0.13 0.05 0.09 -0.04 1.99 2.22 3n10A1 GLU 110 HG2 0.05 0.01 -0.04 -0.04 2.34 2.32 3n10A1 GLU 110 HG3 0.08 -0.04 -0.19 -0.04 2.34 2.14 3n10A1 LYS 111 H -0.21 0.64 0.41 -0.55 8.42 8.71 3n10A1 LYS 111 HA -0.03 0.12 0.62 -0.75 4.32 4.28 3n10A1 LYS 111 HB2 -0.11 0.10 0.10 -0.04 1.87 1.92 3n10A1 LYS 111 HB3 -0.19 -0.01 -0.21 -0.04 1.79 1.35 3n10A1 LYS 111 HG2 -0.09 -0.03 -0.09 -0.04 1.46 1.21 3n10A1 LYS 111 HG3 -0.04 0.02 -0.51 -0.04 1.46 0.89 3n10A1 LYS 111 HD2 0.02 -0.01 -0.21 -0.04 1.69 1.44 3n10A1 LYS 111 HD3 -0.18 0.01 -0.17 -0.04 1.68 1.30 3n10A1 LYS 111 HE2 0.05 -0.02 -0.18 -0.04 2.99 2.80 3n10A1 LYS 111 HE3 -0.09 -0.01 -0.26 -0.04 2.99 2.59 3n10A1 GLN 112 H 0.07 0.52 0.39 -0.55 8.47 8.90 3n10A1 GLN 112 HA 0.05 0.34 0.97 -0.75 4.36 4.98 3n10A1 GLN 112 HB2 0.13 -0.02 0.11 -0.04 2.15 2.33 3n10A1 GLN 112 HB3 0.14 -0.09 0.17 -0.04 2.02 2.20 3n10A1 GLN 112 HG2 0.07 -0.05 -0.08 -0.04 2.40 2.30 3n10A1 GLN 112 HG3 0.07 0.05 -0.11 -0.04 2.39 2.36 3n10A1 GLN 112 HE21 0.08 -0.01 -0.08 -0.04 6.97 6.91 3n10A1 GLN 112 HE22 0.09 0.04 -0.61 -0.04 7.69 7.16 3n10A1 ARG 113 H 0.03 0.72 0.27 -0.55 8.46 8.93 3n10A1 ARG 113 HA 0.10 0.34 1.02 -0.75 4.34 5.04 3n10A1 ARG 113 HB2 0.05 -0.01 -0.21 -0.04 1.90 1.69 3n10A1 ARG 113 HB3 0.03 -0.03 -0.07 -0.04 1.80 1.68 3n10A1 ARG 113 HG2 0.07 -0.07 -0.47 -0.04 1.67 1.16 3n10A1 ARG 113 HG3 0.12 0.09 -0.14 -0.04 1.67 1.70 3n10A1 ARG 113 HD2 0.05 -0.04 -0.20 -0.04 3.22 2.98 3n10A1 ARG 113 HD3 0.09 0.00 -0.22 -0.04 3.22 3.06 3n10A1 SER 114 H 0.12 0.76 0.41 -0.55 8.46 9.20 3n10A1 SER 114 HA -0.01 0.18 0.93 -0.75 4.49 4.83 3n10A1 SER 114 HB2 0.21 0.03 0.17 -0.04 3.95 4.32 3n10A1 SER 114 HB3 0.00 0.09 0.11 -0.04 3.93 4.09 3n10A1 ILE 115 H -0.12 0.71 0.40 -0.55 8.25 8.69 3n10A1 ILE 115 HA 0.16 0.31 1.09 -0.75 4.18 4.98 3n10A1 ILE 115 HB 0.23 -0.14 0.12 -0.04 1.89 2.07 3n10A1 ILE 115 HG12 0.19 0.05 -0.18 -0.04 1.49 1.51 3n10A1 ILE 115 HG13 0.11 -0.11 -0.42 -0.04 1.21 0.76 3n10A1 ILE 115 HG23 0.14 0.02 -0.16 -0.04 0.93 0.88 3n10A1 ILE 115 HD13 0.20 0.00 -0.15 -0.04 0.88 0.89 3n10A1 TYR 116 H 0.27 0.78 0.40 -0.55 8.29 9.18 3n10A1 TYR 116 HA -0.12 0.14 1.05 -0.75 4.56 4.88 3n10A1 TYR 116 HB2 0.12 -0.02 0.04 -0.04 3.06 3.16 3n10A1 TYR 116 HB3 0.10 0.08 -0.04 -0.04 2.98 3.08 3n10A1 TYR 116 HD2 0.09 0.07 -0.39 -0.04 7.15 6.88 3n10A1 TYR 116 HE2 0.10 -0.02 -0.15 -0.04 6.85 6.74 3n10A1 PHE 117 H 0.14 0.63 0.34 -0.55 8.34 8.89 3n10A1 PHE 117 HA 0.00 0.32 1.09 -0.75 4.62 5.28 3n10A1 PHE 117 HB2 -0.00 -0.06 0.12 -0.04 3.15 3.17 3n10A1 PHE 117 HB3 -0.10 0.13 0.02 -0.04 3.06 3.07 3n10A1 PHE 117 HD2 -0.22 0.07 -0.04 -0.04 7.28 7.06 3n10A1 PHE 117 HE2 -0.49 -0.01 -0.09 -0.04 7.38 6.75 3n10A1 PHE 117 HZ -1.32 -0.04 -0.11 -0.04 7.32 5.82 3n10A1 VAL 118 H 0.24 0.63 0.11 -0.55 8.24 8.67 3n10A1 VAL 118 HA 0.22 0.17 0.58 -0.75 4.13 4.35 3n10A1 VAL 118 HB 0.21 -0.08 0.08 -0.04 2.12 2.29 3n10A1 VAL 118 HG13 0.35 0.01 -0.09 -0.04 0.97 1.21 3n10A1 VAL 118 HG23 0.36 0.01 -0.17 -0.04 0.95 1.10 3n10A1 GLY 119 H 0.14 0.17 0.05 -0.55 8.43 8.25 3n10A1 GLY 119 HA2 0.04 0.04 0.33 -0.51 4.01 3.92 3n10A1 GLY 119 HA3 0.05 -0.02 0.53 -0.51 4.01 4.06 3n10A1 LYS 120 H -0.20 0.08 0.23 -0.55 8.42 7.98 3n10A1 LYS 120 HA -0.34 0.11 0.47 -0.75 4.32 3.80 3n10A1 LYS 120 HB2 -0.41 0.00 0.16 -0.04 1.87 1.59 3n10A1 LYS 120 HB3 -0.31 -0.05 0.13 -0.04 1.79 1.51 3n10A1 LYS 120 HG2 -0.77 -0.02 0.08 -0.04 1.46 0.70 3n10A1 LYS 120 HG3 -1.30 0.04 -0.21 -0.04 1.46 -0.05 3n10A1 LYS 120 HD2 -0.32 -0.00 0.03 -0.04 1.69 1.35 3n10A1 LYS 120 HD3 -0.28 -0.02 0.02 -0.04 1.68 1.37 3n10A1 LYS 120 HE2 -0.32 0.01 -0.04 -0.04 2.99 2.60 3n10A1 LYS 120 HE3 -0.49 0.01 -0.06 -0.04 2.99 2.42 3n10A1 PHE 121 H -0.06 0.45 -0.15 -0.55 8.34 8.02 3n10A1 PHE 121 HA -0.09 0.23 0.87 -0.75 4.62 4.87 3n10A1 PHE 121 HB2 -0.51 0.04 0.09 -0.04 3.15 2.73 3n10A1 PHE 121 HB3 -0.31 0.00 0.03 -0.04 3.06 2.74 3n10A1 PHE 121 HD2 -0.39 0.11 -0.04 -0.04 7.28 6.92 3n10A1 PHE 121 HE2 -0.09 -0.03 -0.15 -0.04 7.38 7.06 3n10A1 PHE 121 HZ -0.02 -0.03 -0.13 -0.04 7.32 7.10 3n10A1 HIS 122 H -0.03 0.60 0.41 -0.55 8.41 8.85 3n10A1 HIS 122 HA 0.26 0.30 1.11 -0.75 4.63 5.55 3n10A1 HIS 122 HB2 0.27 -0.03 0.08 -0.04 3.26 3.53 3n10A1 HIS 122 HB3 0.15 0.03 0.03 -0.04 3.20 3.37 3n10A1 HIS 122 HD2 0.28 -0.06 -0.20 -0.04 6.97 6.95 3n10A1 HIS 122 HE1 0.15 -0.08 -0.18 -0.04 7.75 7.60 3n10A1 ILE 123 H 0.29 0.79 0.31 -0.55 8.25 9.09 3n10A1 ILE 123 HA 0.10 0.41 1.10 -0.75 4.18 5.03 3n10A1 ILE 123 HB 0.22 -0.09 0.06 -0.04 1.89 2.04 3n10A1 ILE 123 HG12 -0.09 0.01 -0.12 -0.04 1.49 1.25 3n10A1 ILE 123 HG13 0.10 0.02 -0.36 -0.04 1.21 0.94 3n10A1 ILE 123 HG23 -0.01 -0.01 -0.20 -0.04 0.93 0.67 3n10A1 ILE 123 HD13 0.29 0.02 -0.26 -0.04 0.88 0.89 3n10A1 THR 124 H 0.16 0.57 0.31 -0.55 8.28 8.77 3n10A1 THR 124 HA 0.23 0.26 1.02 -0.75 4.39 5.15 3n10A1 THR 124 HB 0.20 -0.04 0.09 -0.04 4.32 4.52 3n10A1 THR 124 HG23 0.18 -0.01 -0.19 -0.04 1.22 1.17 3n10A1 VAL 125 H 0.21 0.75 0.40 -0.55 8.24 9.05 3n10A1 VAL 125 HA 0.20 0.33 1.08 -0.75 4.13 4.98 3n10A1 VAL 125 HB 0.23 -0.11 0.18 -0.04 2.12 2.38 3n10A1 VAL 125 HG13 0.16 0.01 -0.06 -0.04 0.97 1.03 3n10A1 VAL 125 HG23 0.20 0.01 -0.18 -0.04 0.95 0.95 3n10A1 ASP 126 H 0.26 0.61 0.38 -0.55 8.40 9.09 3n10A1 ASP 126 HA 0.15 0.33 1.05 -0.75 4.63 5.41 3n10A1 ASP 126 HB2 0.34 -0.04 0.04 -0.04 2.71 3.01 3n10A1 ASP 126 HB3 0.07 0.01 -0.07 -0.04 2.70 2.67 3n10A1 HIS 127 H 0.15 0.65 0.41 -0.55 8.41 9.08 3n10A1 HIS 127 HA 0.12 0.33 0.85 -0.75 4.63 5.18 3n10A1 HIS 127 HB2 0.07 -0.00 -0.01 -0.04 3.26 3.28 3n10A1 HIS 127 HB3 0.06 -0.09 0.14 -0.04 3.20 3.26 3n10A1 HIS 127 HD2 0.04 -0.08 -0.22 -0.04 6.97 6.67 3n10A1 HIS 127 HE1 0.02 0.01 -0.04 -0.04 7.75 7.70 3n10A1 LEU 128 H -0.30 0.68 0.24 -0.55 8.37 8.44 3n10A1 LEU 128 HA -0.11 0.16 0.92 -0.75 4.35 4.57 3n10A1 LEU 128 HB2 -0.05 0.02 0.09 -0.04 1.64 1.66 3n10A1 LEU 128 HB3 -0.09 -0.04 0.08 -0.04 1.64 1.54 3n10A1 LEU 128 HG -0.25 0.15 0.10 -0.04 1.64 1.60 3n10A1 LEU 128 HD13 -0.49 -0.03 -0.33 -0.04 0.93 0.03 3n10A1 LEU 128 HD23 -0.43 -0.01 -0.05 -0.04 0.89 0.36 3n10A1 THR 129 H -0.02 0.20 0.12 -0.55 8.28 8.02 3n10A1 THR 129 HA 0.02 0.07 0.31 -0.75 4.39 4.04 3n10A1 THR 129 HB 0.03 -0.02 0.15 -0.04 4.32 4.44 3n10A1 THR 129 HG23 0.05 0.02 -0.06 -0.04 1.22 1.19 3n10A1 GLY 130 H 0.00 0.09 -0.04 -0.55 8.43 7.93 3n10A1 GLY 130 HA2 0.02 0.12 0.40 -0.51 4.01 4.04 3n10A1 GLY 130 HA3 0.02 0.01 0.34 -0.51 4.01 3.87 3n10A1 LEU 131 H -0.01 0.09 -0.41 -0.55 8.37 7.49 3n10A1 LEU 131 HA 0.07 0.18 0.39 -0.75 4.35 4.23 3n10A1 LEU 131 HB2 0.11 -0.08 0.01 -0.04 1.64 1.64 3n10A1 LEU 131 HB3 0.39 0.04 -0.16 -0.04 1.64 1.87 3n10A1 LEU 131 HG 0.06 -0.07 -0.12 -0.04 1.64 1.47 3n10A1 LEU 131 HD13 0.09 -0.01 -0.12 -0.04 0.93 0.85 3n10A1 LEU 131 HD23 0.13 0.05 -0.09 -0.04 0.89 0.94 3n10A1 GLY 132 H -0.14 0.50 0.19 -0.55 8.43 8.43 3n10A1 GLY 132 HA2 -0.00 0.01 0.30 -0.51 4.01 3.81 3n10A1 GLY 132 HA3 -0.08 0.19 0.77 -0.51 4.01 4.38 3n10A1 ASP 133 H -0.16 0.23 0.29 -0.55 8.40 8.21 3n10A1 ASP 133 HA 0.13 0.33 0.84 -0.75 4.63 5.18 3n10A1 ASP 133 HB2 -0.00 0.13 0.17 -0.04 2.71 2.97 3n10A1 ASP 133 HB3 0.09 0.01 0.07 -0.04 2.70 2.83 3n10A1 PHE 134 H 0.28 0.55 0.45 -0.55 8.34 9.07 3n10A1 PHE 134 HA 0.14 0.26 1.04 -0.75 4.62 5.30 3n10A1 PHE 134 HB2 0.24 -0.11 0.01 -0.04 3.15 3.25 3n10A1 PHE 134 HB3 0.17 0.04 0.00 -0.04 3.06 3.24 3n10A1 PHE 134 HD2 0.11 0.01 -0.28 -0.04 7.28 7.08 3n10A1 PHE 134 HE2 0.06 -0.03 -0.26 -0.04 7.38 7.11 3n10A1 PHE 134 HZ 0.10 0.02 -0.18 -0.04 7.32 7.22 3n10A1 ALA 135 H 0.30 0.69 0.34 -0.55 8.40 9.19 3n10A1 ALA 135 HA 0.20 0.35 0.98 -0.75 4.34 5.12 3n10A1 ALA 135 HB3 0.11 -0.02 -0.03 -0.04 1.41 1.43 3n10A1 GLU 136 H 0.15 0.50 0.33 -0.55 8.60 9.03 3n10A1 GLU 136 HA 0.17 0.32 1.09 -0.75 4.29 5.11 3n10A1 GLU 136 HB2 0.11 -0.04 -0.13 -0.04 2.09 1.99 3n10A1 GLU 136 HB3 0.13 -0.08 0.08 -0.04 1.99 2.08 3n10A1 GLU 136 HG2 0.05 0.02 -0.39 -0.04 2.34 1.98 3n10A1 GLU 136 HG3 0.04 0.05 -0.26 -0.04 2.34 2.13 3n10A1 ILE 137 H 0.14 0.58 0.36 -0.55 8.25 8.77 3n10A1 ILE 137 HA 0.01 0.22 0.97 -0.75 4.18 4.63 3n10A1 ILE 137 HB 0.10 -0.04 0.20 -0.04 1.89 2.10 3n10A1 ILE 137 HG12 0.02 -0.00 -0.03 -0.04 1.49 1.44 3n10A1 ILE 137 HG13 -0.04 0.00 -0.03 -0.04 1.21 1.10 3n10A1 ILE 137 HG23 -0.01 0.01 -0.08 -0.04 0.93 0.81 3n10A1 ILE 137 HD13 -0.28 0.01 -0.13 -0.04 0.88 0.43 3n10A1 ALA 138 H -0.12 0.60 0.37 -0.55 8.40 8.71 3n10A1 ALA 138 HA -0.01 0.26 0.97 -0.75 4.34 4.81 3n10A1 ALA 138 HB3 -0.25 -0.03 -0.12 -0.04 1.41 0.97 3n10A1 ILE 139 H 0.02 0.63 0.33 -0.55 8.25 8.67 3n10A1 ILE 139 HA 0.04 0.15 0.57 -0.75 4.18 4.19 3n10A1 ILE 139 HB -0.16 0.05 0.01 -0.04 1.89 1.75 3n10A1 ILE 139 HG12 -0.09 0.12 -0.08 -0.04 1.49 1.40 3n10A1 ILE 139 HG13 -0.15 0.12 0.23 -0.04 1.21 1.37 3n10A1 ILE 139 HG23 -0.00 -0.04 -0.05 -0.04 0.93 0.80 3n10A1 ILE 139 HD13 -0.34 -0.05 -0.02 -0.04 0.88 0.43 3n10A1 MET 140 H 0.08 0.24 0.15 -0.55 8.47 8.40 3n10A1 MET 140 HA 0.10 0.28 1.05 -0.75 4.52 5.19 3n10A1 MET 140 HB2 0.08 -0.01 -0.07 -0.04 2.15 2.11 3n10A1 MET 140 HB3 0.06 0.03 -0.32 -0.04 2.03 1.77 3n10A1 MET 140 HG2 0.21 -0.08 -0.16 -0.04 2.63 2.56 3n10A1 MET 140 HG3 0.25 -0.01 -0.15 -0.04 2.56 2.60 3n10A1 MET 140 HE3 0.04 -0.02 -0.30 -0.04 2.10 1.79 3n10A1 THR 141 H 0.10 0.62 0.36 -0.55 8.28 8.81 3n10A1 THR 141 HA 0.01 0.21 0.52 -0.75 4.39 4.38 3n10A1 THR 141 HB -0.00 0.15 -0.03 -0.04 4.32 4.40 3n10A1 THR 141 HG23 0.06 -0.00 -0.20 -0.04 1.22 1.04 3n10A1 ASP 142 H 0.03 0.23 0.18 -0.55 8.40 8.29 3n10A1 ASP 142 HA 0.10 -0.01 1.05 -0.75 4.63 5.02 3n10A1 ASP 142 HB2 0.01 0.05 0.10 -0.04 2.71 2.83 3n10A1 ASP 142 HB3 0.03 0.03 0.09 -0.04 2.70 2.81 3n10A1 ASP 143 H 0.06 0.13 -0.12 -0.55 8.40 7.92 3n10A1 ASP 143 HA 0.04 0.20 0.82 -0.75 4.63 4.94 3n10A1 ASP 143 HB2 0.00 0.08 -0.03 -0.04 2.71 2.72 3n10A1 ASP 143 HB3 -0.02 0.01 0.17 -0.04 2.70 2.82 3n10A1 ALA 144 H -0.02 0.30 0.14 -0.55 8.40 8.27 3n10A1 ALA 144 HA -0.62 0.09 0.28 -0.75 4.34 3.32 3n10A1 ALA 144 HB3 -0.21 0.04 0.06 -0.04 1.41 1.27 3n10A1 THR 145 H -0.07 0.06 -0.28 -0.55 8.28 7.43 3n10A1 THR 145 HA -0.06 0.12 0.41 -0.75 4.39 4.10 3n10A1 THR 145 HB -0.03 0.05 0.08 -0.04 4.32 4.37 3n10A1 THR 145 HG23 -0.03 0.01 0.03 -0.04 1.22 1.18 3n10A1 GLU 146 H -0.07 0.26 -0.29 -0.55 8.60 7.96 3n10A1 GLU 146 HA -0.04 0.06 0.48 -0.75 4.29 4.03 3n10A1 GLU 146 HB2 -0.05 0.26 0.13 -0.04 2.09 2.38 3n10A1 GLU 146 HB3 -0.05 -0.03 -0.04 -0.04 1.99 1.84 3n10A1 GLU 146 HG2 -0.03 -0.01 0.07 -0.04 2.34 2.32 3n10A1 GLU 146 HG3 -0.04 -0.03 0.04 -0.04 2.34 2.28 3n10A1 LEU 147 H -0.12 0.49 -0.32 -0.55 8.37 7.87 3n10A1 LEU 147 HA -0.07 0.03 0.15 -0.75 4.35 3.72 3n10A1 LEU 147 HB2 -0.11 0.05 0.05 -0.04 1.64 1.58 3n10A1 LEU 147 HB3 -0.08 0.00 0.03 -0.04 1.64 1.55 3n10A1 LEU 147 HG -0.32 0.05 0.08 -0.04 1.64 1.41 3n10A1 LEU 147 HD13 -0.40 0.01 -0.00 -0.04 0.93 0.49 3n10A1 LEU 147 HD23 -0.21 -0.01 -0.13 -0.04 0.89 0.51 3n10A1 ASP 148 H -0.05 0.20 -0.24 -0.55 8.40 7.77 3n10A1 ASP 148 HA -0.02 0.08 0.47 -0.75 4.63 4.40 3n10A1 ASP 148 HB2 -0.02 -0.01 0.09 -0.04 2.71 2.73 3n10A1 ASP 148 HB3 -0.01 0.03 -0.04 -0.04 2.70 2.63 3n10A1 LYS 149 H -0.02 0.19 -0.10 -0.55 8.42 7.94 3n10A1 LYS 149 HA 0.01 0.05 0.32 -0.75 4.32 3.94 3n10A1 LYS 149 HB2 -0.01 -0.01 0.13 -0.04 1.87 1.94 3n10A1 LYS 149 HB3 -0.02 0.09 0.21 -0.04 1.79 2.03 3n10A1 LYS 149 HG2 -0.00 0.01 -0.09 -0.04 1.46 1.34 3n10A1 LYS 149 HG3 0.01 -0.01 0.04 -0.04 1.46 1.45 3n10A1 LYS 149 HD2 -0.01 0.02 0.00 -0.04 1.69 1.66 3n10A1 LYS 149 HD3 -0.01 -0.00 0.02 -0.04 1.68 1.65 3n10A1 LYS 149 HE2 -0.02 -0.02 0.06 -0.04 2.99 2.96 3n10A1 LYS 149 HE3 -0.03 0.02 0.01 -0.04 2.99 2.95 3n10A1 LEU 150 H -0.01 0.54 -0.16 -0.55 8.37 8.19 3n10A1 LEU 150 HA 0.03 0.00 0.06 -0.75 4.35 3.70 3n10A1 LEU 150 HB2 -0.01 0.05 0.02 -0.04 1.64 1.66 3n10A1 LEU 150 HB3 0.02 0.02 -0.05 -0.04 1.64 1.58 3n10A1 LEU 150 HG -0.03 0.02 0.00 -0.04 1.64 1.59 3n10A1 LEU 150 HD13 -0.03 0.00 -0.14 -0.04 0.93 0.72 3n10A1 LEU 150 HD23 -0.06 -0.00 -0.06 -0.04 0.89 0.73 3n10A1 LYS 151 H 0.01 0.56 -0.14 -0.55 8.42 8.30 3n10A1 LYS 151 HA 0.05 0.03 0.42 -0.75 4.32 4.06 3n10A1 LYS 151 HB2 0.01 0.04 0.15 -0.04 1.87 2.03 3n10A1 LYS 151 HB3 0.01 0.05 0.13 -0.04 1.79 1.95 3n10A1 LYS 151 HG2 0.01 -0.01 -0.01 -0.04 1.46 1.41 3n10A1 LYS 151 HG3 0.03 -0.06 -0.01 -0.04 1.46 1.38 3n10A1 LYS 151 HD2 0.02 -0.00 0.01 -0.04 1.69 1.68 3n10A1 LYS 151 HD3 0.01 -0.03 0.05 -0.04 1.68 1.68 3n10A1 LYS 151 HE2 -0.00 -0.04 0.03 -0.04 2.99 2.94 3n10A1 LYS 151 HE3 0.00 -0.04 0.03 -0.04 2.99 2.93 3n10A1 ALA 152 H 0.03 0.52 -0.11 -0.55 8.40 8.29 3n10A1 ALA 152 HA 0.04 -0.00 0.51 -0.75 4.34 4.14 3n10A1 ALA 152 HB3 0.03 0.03 0.12 -0.04 1.41 1.55 3n10A1 GLU 153 H 0.08 0.55 -0.10 -0.55 8.60 8.58 3n10A1 GLU 153 HA 0.13 -0.01 0.41 -0.75 4.29 4.07 3n10A1 GLU 153 HB2 0.14 0.08 0.09 -0.04 2.09 2.37 3n10A1 GLU 153 HB3 0.32 -0.03 -0.01 -0.04 1.99 2.24 3n10A1 GLU 153 HG2 0.11 -0.03 0.01 -0.04 2.34 2.39 3n10A1 GLU 153 HG3 0.07 0.08 -0.00 -0.04 2.34 2.45 3n10A1 CYS 154 H 0.15 0.58 -0.21 -0.55 8.50 8.47 3n10A1 CYS 154 HA 0.08 0.01 0.34 -0.75 4.58 4.25 3n10A1 CYS 154 HB2 0.10 0.14 0.07 -0.04 2.97 3.23 3n10A1 CYS 154 HB3 0.10 -0.04 -0.16 -0.04 2.97 2.83 3n10A1 ARG 155 H 0.08 0.51 -0.14 -0.55 8.46 8.36 3n10A1 ARG 155 HA 0.09 0.02 0.57 -0.75 4.34 4.26 3n10A1 ARG 155 HB2 0.06 0.03 0.13 -0.04 1.90 2.08 3n10A1 ARG 155 HB3 0.05 0.14 0.21 -0.04 1.80 2.16 3n10A1 ARG 155 HG2 0.04 -0.02 -0.01 -0.04 1.67 1.64 3n10A1 ARG 155 HG3 0.04 -0.01 -0.24 -0.04 1.67 1.42 3n10A1 ARG 155 HD2 0.06 -0.03 -0.00 -0.04 3.22 3.21 3n10A1 ARG 155 HD3 0.10 -0.01 0.08 -0.04 3.22 3.35 3n10A1 ASP 156 H 0.06 0.67 -0.03 -0.55 8.40 8.56 3n10A1 ASP 156 HA 0.02 -0.01 0.41 -0.75 4.63 4.30 3n10A1 ASP 156 HB2 0.09 0.12 0.16 -0.04 2.71 3.03 3n10A1 ASP 156 HB3 0.06 -0.04 0.03 -0.04 2.70 2.71 3n10A1 PHE 157 H 0.05 0.56 -0.21 -0.55 8.34 8.18 3n10A1 PHE 157 HA -0.14 0.01 0.33 -0.75 4.62 4.07 3n10A1 PHE 157 HB2 -0.82 0.01 0.08 -0.04 3.15 2.39 3n10A1 PHE 157 HB3 -0.67 0.09 0.10 -0.04 3.06 2.54 3n10A1 PHE 157 HD2 -0.32 -0.00 -0.08 -0.04 7.28 6.83 3n10A1 PHE 157 HE2 -0.10 0.00 -0.08 -0.04 7.38 7.17 3n10A1 PHE 157 HZ 0.19 0.02 -0.06 -0.04 7.32 7.43 3n10A1 ALA 158 H 0.00 0.65 -0.13 -0.55 8.40 8.38 3n10A1 ALA 158 HA -0.22 -0.05 0.39 -0.75 4.34 3.70 3n10A1 ALA 158 HB3 0.01 0.02 0.12 -0.04 1.41 1.52 3n10A1 ASN 159 H -0.04 0.59 -0.24 -0.55 8.53 8.30 3n10A1 ASN 159 HA -0.06 0.02 0.35 -0.75 4.76 4.32 3n10A1 ASN 159 HB2 -0.02 0.12 0.19 -0.04 2.88 3.13 3n10A1 ASN 159 HB3 -0.03 -0.06 -0.03 -0.04 2.79 2.64 3n10A1 ASN 159 HD21 0.02 -0.08 -0.05 -0.04 7.03 6.88 3n10A1 ASN 159 HD22 0.01 -0.02 -0.05 -0.04 7.74 7.63 3n10A1 THR 160 H -0.11 0.60 -0.03 -0.55 8.28 8.20 3n10A1 THR 160 HA -0.09 -0.00 0.41 -0.75 4.39 3.95 3n10A1 THR 160 HB -0.10 -0.03 0.05 -0.04 4.32 4.20 3n10A1 THR 160 HG23 -0.03 0.02 0.05 -0.04 1.22 1.22 3n10A1 PHE 161 H -0.26 0.60 -0.23 -0.55 8.34 7.89 3n10A1 PHE 161 HA -0.37 0.02 0.30 -0.75 4.62 3.81 3n10A1 PHE 161 HB2 -0.90 0.13 0.08 -0.04 3.15 2.41 3n10A1 PHE 161 HB3 -0.39 -0.01 0.09 -0.04 3.06 2.71 3n10A1 PHE 161 HD2 -0.39 -0.01 -0.20 -0.04 7.28 6.64 3n10A1 PHE 161 HE2 -0.03 -0.04 -0.13 -0.04 7.38 7.13 3n10A1 PHE 161 HZ -0.07 -0.05 -0.16 -0.04 7.32 7.00 3n10A1 GLY 162 H -0.09 0.42 -0.26 -0.55 8.43 7.95 3n10A1 GLY 162 HA2 -0.10 0.02 0.23 -0.51 4.01 3.65 3n10A1 GLY 162 HA3 -0.12 0.11 0.84 -0.51 4.01 4.33 3n10A1 LEU 163 H -0.13 0.44 0.09 -0.55 8.37 8.22 3n10A1 LEU 163 HA -0.29 0.03 0.59 -0.75 4.35 3.93 3n10A1 LEU 163 HB2 -0.71 0.02 0.10 -0.04 1.64 1.00 3n10A1 LEU 163 HB3 -2.00 -0.00 -0.14 -0.04 1.64 -0.54 3n10A1 LEU 163 HG -0.03 0.01 -0.16 -0.04 1.64 1.42 3n10A1 LEU 163 HD13 -0.46 0.00 -0.13 -0.04 0.93 0.30 3n10A1 LEU 163 HD23 -0.16 -0.00 -0.11 -0.04 0.89 0.58 3n10A1 GLN 164 H -0.14 0.15 0.16 -0.55 8.47 8.09 3n10A1 GLN 164 HA 0.01 0.18 0.48 -0.75 4.36 4.27 3n10A1 GLN 164 HB2 0.02 -0.02 0.08 -0.04 2.15 2.19 3n10A1 GLN 164 HB3 0.03 -0.10 0.01 -0.04 2.02 1.93 3n10A1 GLN 164 HG2 -0.03 0.05 -0.23 -0.04 2.40 2.15 3n10A1 GLN 164 HG3 -0.05 0.27 -0.10 -0.04 2.39 2.46 3n10A1 GLN 164 HE21 -0.01 -0.01 -0.01 -0.04 6.97 6.89 3n10A1 GLN 164 HE22 -0.02 0.02 -0.04 -0.04 7.69 7.61 3n10A1 VAL 165 H 0.11 0.20 0.14 -0.55 8.24 8.14 3n10A1 VAL 165 HA 0.21 0.10 0.40 -0.75 4.13 4.09 3n10A1 VAL 165 HB 0.06 -0.01 0.11 -0.04 2.12 2.24 3n10A1 VAL 165 HG13 0.04 0.02 -0.03 -0.04 0.97 0.95 3n10A1 VAL 165 HG23 0.08 0.02 0.08 -0.04 0.95 1.09 3n10A1 ASP 166 H 0.07 0.07 -0.20 -0.55 8.40 7.79 3n10A1 ASP 166 HA 0.05 0.08 0.40 -0.75 4.63 4.41 3n10A1 ASP 166 HB2 0.04 -0.02 0.02 -0.04 2.71 2.71 3n10A1 ASP 166 HB3 0.04 0.04 0.07 -0.04 2.70 2.80 3n10A1 GLN 167 H 0.18 0.48 -0.37 -0.55 8.47 8.21 3n10A1 GLN 167 HA 0.09 0.20 0.83 -0.75 4.36 4.72 3n10A1 GLN 167 HB2 0.20 0.01 0.12 -0.04 2.15 2.43 3n10A1 GLN 167 HB3 0.19 0.10 0.22 -0.04 2.02 2.48 3n10A1 GLN 167 HG2 0.05 -0.04 -0.02 -0.04 2.40 2.36 3n10A1 GLN 167 HG3 0.06 0.05 -0.04 -0.04 2.39 2.41 3n10A1 GLN 167 HE21 0.03 -0.03 -0.08 -0.04 6.97 6.84 3n10A1 GLN 167 HE22 0.03 0.08 -0.14 -0.04 7.69 7.63 3n10A1 GLN 168 H 0.10 0.44 -0.16 -0.55 8.47 8.31 3n10A1 GLN 168 HA -0.40 0.09 0.56 -0.75 4.36 3.85 3n10A1 GLN 168 HB2 -0.10 -0.05 0.17 -0.04 2.15 2.13 3n10A1 GLN 168 HB3 -0.09 -0.01 0.12 -0.04 2.02 1.99 3n10A1 GLN 168 HG2 -0.26 -0.05 -0.04 -0.04 2.40 2.00 3n10A1 GLN 168 HG3 -0.81 0.13 0.06 -0.04 2.39 1.73 3n10A1 GLN 168 HE21 -0.08 -0.03 0.02 -0.04 6.97 6.84 3n10A1 GLN 168 HE22 -0.14 -0.01 -0.00 -0.04 7.69 7.50 3n10A1 GLU 169 H -0.20 0.69 0.25 -0.55 8.60 8.81 3n10A1 GLU 169 HA -0.01 0.17 0.67 -0.75 4.29 4.36 3n10A1 GLU 169 HB2 0.16 0.07 -0.03 -0.04 2.09 2.24 3n10A1 GLU 169 HB3 0.16 -0.06 -0.04 -0.04 1.99 2.01 3n10A1 GLU 169 HG2 0.20 -0.00 -0.08 -0.04 2.34 2.41 3n10A1 GLU 169 HG3 -0.05 0.06 -0.20 -0.04 2.34 2.12 3n10A1 PRO 170 HA -0.10 0.07 0.40 -0.51 4.44 4.30 3n10A1 PRO 170 HB2 -0.05 -0.01 -0.01 -0.04 2.28 2.17 3n10A1 PRO 170 HB3 -0.07 0.02 0.08 -0.04 2.02 2.01 3n10A1 PRO 170 HG2 -0.04 0.01 -0.00 -0.04 2.03 1.95 3n10A1 PRO 170 HG3 -0.04 0.04 0.02 -0.04 2.03 2.01 3n10A1 PRO 170 HD2 -0.03 0.15 0.11 -0.04 3.68 3.87 3n10A1 PRO 170 HD3 -0.07 0.15 -0.11 -0.04 3.65 3.59 3n10A1 ARG 171 H -0.07 0.07 -0.30 -0.55 8.46 7.62 3n10A1 ARG 171 HA -0.07 0.05 0.40 -0.75 4.34 3.97 3n10A1 ARG 171 HB2 -0.05 0.03 -0.02 -0.04 1.90 1.81 3n10A1 ARG 171 HB3 -0.06 -0.02 -0.05 -0.04 1.80 1.63 3n10A1 ARG 171 HG2 -0.04 -0.00 -0.05 -0.04 1.67 1.53 3n10A1 ARG 171 HG3 -0.04 -0.04 -0.07 -0.04 1.67 1.48 3n10A1 ARG 171 HD2 -0.03 0.02 -0.14 -0.04 3.22 3.03 3n10A1 ARG 171 HD3 -0.02 0.01 -0.06 -0.04 3.22 3.11 3n10A1 SER 172 H -0.08 0.07 0.13 -0.55 8.46 8.03 3n10A1 SER 172 HA -0.28 0.22 0.54 -0.75 4.49 4.22 3n10A1 SER 172 HB2 -0.03 -0.05 0.07 -0.04 3.95 3.90 3n10A1 SER 172 HB3 -0.05 0.16 0.08 -0.04 3.93 4.08 3n10A1 TYR 173 H -0.25 0.19 0.05 -0.55 8.29 7.73 3n10A1 TYR 173 HA -0.11 0.16 0.32 -0.75 4.56 4.17 3n10A1 TYR 173 HB2 0.03 -0.02 0.01 -0.04 3.06 3.03 3n10A1 TYR 173 HB3 -0.01 0.03 -0.06 -0.04 2.98 2.90 3n10A1 TYR 173 HD2 -0.15 -0.00 -0.10 -0.04 7.15 6.85 3n10A1 TYR 173 HE2 -0.73 0.03 -0.16 -0.04 6.85 5.96 3n10A1 ARG 174 H 0.09 0.08 -0.20 -0.55 8.46 7.87 3n10A1 ARG 174 HA 0.00 0.08 0.27 -0.75 4.34 3.94 3n10A1 ARG 174 HB2 -0.18 0.05 -0.02 -0.04 1.90 1.71 3n10A1 ARG 174 HB3 -0.11 -0.03 -0.02 -0.04 1.80 1.60 3n10A1 ARG 174 HG2 0.07 -0.13 -0.05 -0.04 1.67 1.52 3n10A1 ARG 174 HG3 0.00 0.14 -0.22 -0.04 1.67 1.55 3n10A1 ARG 174 HD2 0.24 -0.05 -0.09 -0.04 3.22 3.27 3n10A1 ARG 174 HD3 0.14 0.02 -0.12 -0.04 3.22 3.22 3n10A1 GLN 175 H -0.02 -0.02 -0.41 -0.55 8.47 7.47 3n10A1 GLN 175 HA -0.06 0.11 0.37 -0.75 4.36 4.02 3n10A1 GLN 175 HB2 -0.05 0.02 0.08 -0.04 2.15 2.16 3n10A1 GLN 175 HB3 -0.04 0.05 -0.03 -0.04 2.02 1.96 3n10A1 GLN 175 HG2 -0.03 0.08 -0.01 -0.04 2.40 2.40 3n10A1 GLN 175 HG3 -0.02 -0.06 -0.03 -0.04 2.39 2.24 3n10A1 GLN 175 HE21 -0.01 0.02 -0.01 -0.04 6.97 6.93 3n10A1 GLN 175 HE22 -0.01 0.04 -0.02 -0.04 7.69 7.66 3n10A1 LEU 176 H -0.03 0.58 -0.18 -0.55 8.37 8.19 3n10A1 LEU 176 HA -0.02 0.04 0.30 -0.75 4.35 3.91 3n10A1 LEU 176 HB2 0.05 0.01 0.04 -0.04 1.64 1.70 3n10A1 LEU 176 HB3 0.05 -0.03 -0.05 -0.04 1.64 1.58 3n10A1 LEU 176 HG -0.06 0.03 -0.16 -0.04 1.64 1.41 3n10A1 LEU 176 HD13 -0.08 -0.02 -0.20 -0.04 0.93 0.58 3n10A1 LEU 176 HD23 0.04 -0.01 -0.06 -0.04 0.89 0.83 3n10A1 LEU 177 H -0.05 0.34 -0.43 -0.55 8.37 7.68 3n10A1 LEU 177 HA -0.11 0.15 0.75 -0.75 4.35 4.39 3n10A1 LEU 177 HB2 0.05 -0.00 -0.03 -0.04 1.64 1.61 3n10A1 LEU 177 HB3 -0.10 -0.04 0.06 -0.04 1.64 1.52 3n10A1 LEU 177 HG 0.05 0.04 -0.10 -0.04 1.64 1.59 3n10A1 LEU 177 HD13 0.13 -0.03 -0.07 -0.04 0.93 0.92 3n10A1 LEU 177 HD23 0.02 0.00 -0.05 -0.04 0.89 0.82 3n10A1 GLY 178 H -0.20 0.33 -0.24 -0.55 8.43 7.78 3n10A1 GLY 178 HA2 -0.22 0.03 0.23 -0.51 4.01 3.55 3n10A1 GLY 178 HA3 -0.34 0.05 0.33 -0.51 4.01 3.54 3n10A1 PHE 179 H -0.28 0.58 -0.04 -0.55 8.34 8.04 3n10A1 PHE 179 HA -0.38 0.28 0.68 -0.75 4.62 4.43 3n10A1 PHE 179 HB2 -0.97 -0.08 -0.02 -0.04 3.15 2.03 3n10A1 PHE 179 HB3 -2.34 -0.03 -0.05 -0.04 3.06 0.60 3n10A1 PHE 179 HD2 -0.40 -0.03 -0.10 -0.04 7.28 6.71 3n10A1 PHE 179 HE2 -0.07 -0.01 -0.02 -0.04 7.38 7.23 3n10A1 PHE 179 HZ -0.03 -0.03 0.01 -0.04 7.32 7.23