============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 8 rings ring int. center anis. iso. TYR 10 0.840 11.898 10.855 -5.492 -99.200 -91.000 TRP 22 1.040 6.734 -0.321 0.178 -99.200 -91.000 TRP6 22 1.020 7.217 -2.476 0.980 -99.200 -91.000 HIS 23 0.900 11.894 -1.818 -6.332 -99.200 -91.000 PHE 27 1.000 1.934 -0.832 -2.836 -99.200 -91.000 TYR 49 0.840 -0.589 -9.970 4.411 -99.200 -91.000 TYR 54 0.840 -5.315 -7.020 6.979 -99.200 -91.000 PHE 58 1.000 -9.603 -13.249 10.223 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2o13A19 LYS 119 HA -0.24 -0.19 0.30 -0.75 4.32 3.44 2o13A19 LYS 119 HB2 -0.18 0.02 -0.64 -0.04 1.87 1.02 2o13A19 LYS 119 HB3 -0.13 -0.08 -0.17 -0.04 1.79 1.37 2o13A19 LYS 119 HG2 -0.14 0.00 -0.06 -0.04 1.46 1.22 2o13A19 LYS 119 HG3 -0.18 -0.03 -0.33 -0.04 1.46 0.88 2o13A19 LYS 119 HD2 -0.08 0.01 -0.10 -0.04 1.69 1.48 2o13A19 LYS 119 HD3 -0.09 0.07 -0.21 -0.04 1.68 1.42 2o13A19 LYS 119 HE2 -0.06 0.02 -0.04 -0.04 2.99 2.87 2o13A19 LYS 119 HE3 -0.08 -0.06 -0.05 -0.04 2.99 2.76 2o13A19 CYS 120 H -0.40 0.54 0.20 -0.55 8.50 8.29 2o13A19 CYS 120 HA -1.37 0.20 0.73 -0.75 4.58 3.39 2o13A19 CYS 120 HB2 -0.31 -0.17 0.24 -0.04 2.97 2.69 2o13A19 CYS 120 HB3 -0.33 0.16 0.30 -0.04 2.97 3.06 2o13A19 PRO 121 HA -0.18 0.09 0.36 -0.51 4.44 4.20 2o13A19 PRO 121 HB2 -0.07 0.05 0.05 -0.04 2.28 2.27 2o13A19 PRO 121 HB3 -0.16 0.07 0.09 -0.04 2.02 1.98 2o13A19 PRO 121 HG2 -0.16 0.04 0.06 -0.04 2.03 1.93 2o13A19 PRO 121 HG3 -0.18 0.07 0.10 -0.04 2.03 1.98 2o13A19 PRO 121 HD2 -2.59 -0.00 0.31 -0.04 3.68 1.35 2o13A19 PRO 121 HD3 -0.94 0.57 0.34 -0.04 3.65 3.58 2o13A19 ARG 122 H -0.21 0.00 -0.51 -0.55 8.46 7.19 2o13A19 ARG 122 HA 0.06 0.18 0.58 -0.75 4.34 4.41 2o13A19 ARG 122 HB2 0.19 -0.12 0.06 -0.04 1.90 1.99 2o13A19 ARG 122 HB3 0.13 0.04 0.03 -0.04 1.80 1.97 2o13A19 ARG 122 HG2 0.60 -0.03 0.06 -0.04 1.67 2.25 2o13A19 ARG 122 HG3 0.34 0.08 0.09 -0.04 1.67 2.15 2o13A19 ARG 122 HD2 0.12 0.00 0.07 -0.04 3.22 3.37 2o13A19 ARG 122 HD3 0.15 0.04 -0.03 -0.04 3.22 3.34 2o13A19 CYS 123 H -0.02 0.09 -0.13 -0.55 8.50 7.90 2o13A19 CYS 123 HA 0.03 0.24 0.87 -0.75 4.58 4.96 2o13A19 CYS 123 HB2 0.15 -0.05 0.13 -0.04 2.97 3.15 2o13A19 CYS 123 HB3 0.06 0.04 0.06 -0.04 2.97 3.09 2o13A19 GLY 124 H -0.08 0.35 0.20 -0.55 8.43 8.35 2o13A19 GLY 124 HA2 -0.09 0.00 0.21 -0.51 4.01 3.62 2o13A19 GLY 124 HA3 -0.04 0.14 0.65 -0.51 4.01 4.25 2o13A19 LYS 125 H -0.04 0.16 0.01 -0.55 8.42 7.99 2o13A19 LYS 125 HA -0.02 0.19 0.74 -0.75 4.32 4.48 2o13A19 LYS 125 HB2 0.08 0.09 -0.17 -0.04 1.87 1.83 2o13A19 LYS 125 HB3 0.29 -0.11 0.03 -0.04 1.79 1.96 2o13A19 LYS 125 HG2 0.12 0.14 -0.18 -0.04 1.46 1.50 2o13A19 LYS 125 HG3 0.05 0.01 0.01 -0.04 1.46 1.50 2o13A19 LYS 125 HD2 0.06 0.03 -0.04 -0.04 1.69 1.70 2o13A19 LYS 125 HD3 0.20 -0.08 -0.05 -0.04 1.68 1.72 2o13A19 LYS 125 HE2 0.16 0.03 -0.03 -0.04 2.99 3.11 2o13A19 LYS 125 HE3 0.05 0.02 -0.01 -0.04 2.99 3.01 2o13A19 SER 126 H -0.04 0.15 0.15 -0.55 8.46 8.17 2o13A19 SER 126 HA -0.14 0.09 0.50 -0.75 4.49 4.18 2o13A19 SER 126 HB2 -0.05 -0.04 0.09 -0.04 3.95 3.91 2o13A19 SER 126 HB3 -0.06 0.08 0.03 -0.04 3.93 3.95 2o13A19 VAL 127 H -0.13 0.34 0.26 -0.55 8.24 8.16 2o13A19 VAL 127 HA -0.04 0.10 0.84 -0.75 4.13 4.27 2o13A19 VAL 127 HB -0.14 0.37 -0.21 -0.04 2.12 2.10 2o13A19 VAL 127 HG13 -0.03 0.08 -0.22 -0.04 0.97 0.76 2o13A19 VAL 127 HG23 -0.61 -0.05 -0.34 -0.04 0.95 -0.09 2o13A19 TYR 128 H 0.08 0.09 0.07 -0.55 8.29 7.98 2o13A19 TYR 128 HA -0.04 0.32 0.79 -0.75 4.56 4.88 2o13A19 TYR 128 HB2 -0.03 0.10 -0.14 -0.04 3.06 2.95 2o13A19 TYR 128 HB3 -0.02 -0.06 0.06 -0.04 2.98 2.92 2o13A19 TYR 128 HD2 -0.02 0.09 0.11 -0.04 7.15 7.28 2o13A19 TYR 128 HE2 -0.02 0.05 0.04 -0.04 6.85 6.88 2o13A19 ALA 129 H -0.93 0.22 0.15 -0.55 8.40 7.29 2o13A19 ALA 129 HA -0.27 0.10 0.25 -0.75 4.34 3.66 2o13A19 ALA 129 HB3 -0.29 0.04 0.11 -0.04 1.41 1.22 2o13A19 ALA 130 H 0.02 0.02 -0.35 -0.55 8.40 7.54 2o13A19 ALA 130 HA -0.00 0.08 0.32 -0.75 4.34 3.99 2o13A19 ALA 130 HB3 0.04 0.00 0.05 -0.04 1.41 1.46 2o13A19 GLU 131 H -0.01 0.41 -0.24 -0.55 8.60 8.21 2o13A19 GLU 131 HA -0.00 0.20 0.72 -0.75 4.29 4.45 2o13A19 GLU 131 HB2 0.05 0.01 -0.19 -0.04 2.09 1.91 2o13A19 GLU 131 HB3 0.06 -0.01 0.04 -0.04 1.99 2.04 2o13A19 GLU 131 HG2 0.07 -0.10 0.26 -0.04 2.34 2.52 2o13A19 GLU 131 HG3 0.04 0.13 0.14 -0.04 2.34 2.62 2o13A19 LYS 132 H -0.07 0.20 -0.17 -0.55 8.42 7.83 2o13A19 LYS 132 HA -0.07 0.01 0.19 -0.75 4.32 3.70 2o13A19 LYS 132 HB2 -0.16 -0.08 -0.45 -0.04 1.87 1.15 2o13A19 LYS 132 HB3 -0.14 0.04 0.05 -0.04 1.79 1.70 2o13A19 LYS 132 HG2 -0.11 -0.02 -0.33 -0.04 1.46 0.96 2o13A19 LYS 132 HG3 -0.08 -0.03 -0.20 -0.04 1.46 1.12 2o13A19 LYS 132 HD2 -0.10 0.03 -0.15 -0.04 1.69 1.43 2o13A19 LYS 132 HD3 -0.21 -0.03 -0.13 -0.04 1.68 1.27 2o13A19 LYS 132 HE2 -0.21 -0.01 -0.04 -0.04 2.99 2.70 2o13A19 LYS 132 HE3 -0.20 -0.02 -0.02 -0.04 2.99 2.70 2o13A19 VAL 133 H -0.13 0.36 0.26 -0.55 8.24 8.19 2o13A19 VAL 133 HA -0.30 0.12 0.65 -0.75 4.13 3.84 2o13A19 VAL 133 HB -1.71 -0.02 -0.13 -0.04 2.12 0.22 2o13A19 VAL 133 HG13 -0.20 0.03 -0.10 -0.04 0.97 0.66 2o13A19 VAL 133 HG23 -0.30 0.05 -0.14 -0.04 0.95 0.52 2o13A19 MET 134 H -0.23 0.17 -0.06 -0.55 8.47 7.80 2o13A19 MET 134 HA 0.02 0.26 0.04 -0.75 4.52 4.09 2o13A19 MET 134 HB2 -0.03 -0.01 0.07 -0.04 2.15 2.13 2o13A19 MET 134 HB3 0.02 0.03 -0.20 -0.04 2.03 1.84 2o13A19 MET 134 HG2 -0.06 -0.03 -0.18 -0.04 2.63 2.32 2o13A19 MET 134 HG3 -0.02 0.03 -0.12 -0.04 2.56 2.41 2o13A19 MET 134 HE3 -0.03 0.01 -0.16 -0.04 2.10 1.88 2o13A19 GLY 135 H 0.24 0.67 0.40 -0.55 8.43 9.19 2o13A19 GLY 135 HA2 0.07 0.07 0.73 -0.51 4.01 4.38 2o13A19 GLY 135 HA3 -0.65 0.04 0.38 -0.51 4.01 3.27 2o13A19 GLY 136 H 0.04 0.32 -0.06 -0.55 8.43 8.18 2o13A19 GLY 136 HA2 0.04 0.03 0.34 -0.51 4.01 3.90 2o13A19 GLY 136 HA3 0.10 0.08 0.45 -0.51 4.01 4.12 2o13A19 GLY 137 H 0.18 0.48 0.14 -0.55 8.43 8.68 2o13A19 GLY 137 HA2 0.06 0.10 0.35 -0.51 4.01 4.01 2o13A19 GLY 137 HA3 0.07 0.02 0.29 -0.51 4.01 3.88 2o13A19 LYS 138 H 0.25 0.18 -0.16 -0.55 8.42 8.13 2o13A19 LYS 138 HA 0.05 0.27 0.88 -0.75 4.32 4.77 2o13A19 LYS 138 HB2 0.42 -0.02 0.11 -0.04 1.87 2.34 2o13A19 LYS 138 HB3 -0.19 0.17 -0.15 -0.04 1.79 1.58 2o13A19 LYS 138 HG2 -0.04 0.11 -0.03 -0.04 1.46 1.46 2o13A19 LYS 138 HG3 0.10 -0.17 -0.28 -0.04 1.46 1.07 2o13A19 LYS 138 HD2 0.14 -0.11 0.03 -0.04 1.69 1.70 2o13A19 LYS 138 HD3 -0.33 0.31 0.08 -0.04 1.68 1.71 2o13A19 LYS 138 HE2 -0.06 -0.07 0.01 -0.04 2.99 2.84 2o13A19 LYS 138 HE3 -0.09 0.08 0.01 -0.04 2.99 2.94 2o13A19 PRO 139 HA -0.00 -0.03 0.44 -0.51 4.44 4.34 2o13A19 PRO 139 HB2 -0.04 -0.03 -0.24 -0.04 2.28 1.93 2o13A19 PRO 139 HB3 -0.06 -0.08 -0.10 -0.04 2.02 1.74 2o13A19 PRO 139 HG2 -0.02 0.12 0.18 -0.04 2.03 2.27 2o13A19 PRO 139 HG3 0.03 -0.03 0.08 -0.04 2.03 2.07 2o13A19 PRO 139 HD2 0.01 0.20 0.22 -0.04 3.68 4.07 2o13A19 PRO 139 HD3 0.01 0.08 -0.07 -0.04 3.65 3.63 2o13A19 TRP 140 H 0.23 0.71 0.26 -0.55 7.97 8.62 2o13A19 TRP 140 HA -0.10 0.09 0.62 -0.75 4.62 4.48 2o13A19 TRP 140 HB2 -0.05 0.11 0.10 -0.04 3.23 3.35 2o13A19 TRP 140 HB3 0.13 -0.07 0.07 -0.04 3.23 3.32 2o13A19 TRP 140 HD1 -0.00 0.43 0.11 -0.04 7.22 7.72 2o13A19 TRP 140 HE1 0.05 0.21 0.17 -0.04 10.20 10.59 2o13A19 TRP 140 HE3 0.12 -0.05 -0.06 -0.04 7.59 7.57 2o13A19 TRP 140 HZ2 0.01 0.01 0.04 -0.04 7.44 7.46 2o13A19 TRP 140 HZ3 0.02 0.01 0.08 -0.04 7.13 7.20 2o13A19 TRP 140 HH2 -0.01 0.15 0.09 -0.04 7.19 7.38 2o13A19 HIS 141 H 0.21 0.06 0.13 -0.55 8.41 8.26 2o13A19 HIS 141 HA 0.07 0.19 0.69 -0.75 4.63 4.83 2o13A19 HIS 141 HB2 0.15 -0.08 0.15 -0.04 3.26 3.44 2o13A19 HIS 141 HB3 0.09 -0.11 0.07 -0.04 3.20 3.21 2o13A19 HIS 141 HD2 0.03 -0.07 0.07 -0.04 6.97 6.96 2o13A19 HIS 141 HE1 -0.00 0.07 -0.09 -0.04 7.75 7.69 2o13A19 LYS 142 H 0.16 0.22 0.19 -0.55 8.42 8.44 2o13A19 LYS 142 HA 0.12 0.16 0.36 -0.75 4.32 4.20 2o13A19 LYS 142 HB2 0.05 0.11 0.13 -0.04 1.87 2.12 2o13A19 LYS 142 HB3 0.08 -0.06 0.11 -0.04 1.79 1.87 2o13A19 LYS 142 HG2 0.07 -0.01 -0.18 -0.04 1.46 1.31 2o13A19 LYS 142 HG3 0.06 0.04 0.04 -0.04 1.46 1.57 2o13A19 LYS 142 HD2 0.03 0.03 0.01 -0.04 1.69 1.72 2o13A19 LYS 142 HD3 0.04 -0.02 -0.01 -0.04 1.68 1.64 2o13A19 LYS 142 HE2 0.04 -0.01 -0.05 -0.04 2.99 2.92 2o13A19 LYS 142 HE3 0.03 -0.00 -0.03 -0.04 2.99 2.95 2o13A19 THR 143 H 0.15 -0.04 -0.37 -0.55 8.28 7.48 2o13A19 THR 143 HA 0.08 0.16 0.48 -0.75 4.39 4.35 2o13A19 THR 143 HB 0.04 0.07 -0.06 -0.04 4.32 4.33 2o13A19 THR 143 HG23 0.02 0.01 -0.02 -0.04 1.22 1.19 2o13A19 CYS 144 H 0.23 -0.01 -0.14 -0.55 8.50 8.03 2o13A19 CYS 144 HA 0.13 0.17 0.32 -0.75 4.58 4.44 2o13A19 CYS 144 HB2 0.42 -0.04 0.02 -0.04 2.97 3.32 2o13A19 CYS 144 HB3 0.20 0.07 0.07 -0.04 2.97 3.27 2o13A19 PHE 145 H 0.33 0.33 -0.48 -0.55 8.34 7.97 2o13A19 PHE 145 HA -0.15 0.04 0.69 -0.75 4.62 4.44 2o13A19 PHE 145 HB2 0.11 0.13 -0.03 -0.04 3.15 3.32 2o13A19 PHE 145 HB3 0.01 0.09 0.14 -0.04 3.06 3.26 2o13A19 PHE 145 HD2 -0.29 0.17 -0.03 -0.04 7.28 7.10 2o13A19 PHE 145 HE2 -0.29 -0.05 -0.37 -0.04 7.38 6.63 2o13A19 PHE 145 HZ -0.15 0.07 -0.35 -0.04 7.32 6.84 2o13A19 ARG 146 H -0.13 0.67 -0.17 -0.55 8.46 8.28 2o13A19 ARG 146 HA -0.15 0.15 0.87 -0.75 4.34 4.45 2o13A19 ARG 146 HB2 -0.03 0.00 -0.45 -0.04 1.90 1.38 2o13A19 ARG 146 HB3 0.01 0.10 -0.44 -0.04 1.80 1.43 2o13A19 ARG 146 HG2 0.05 -0.13 -0.13 -0.04 1.67 1.42 2o13A19 ARG 146 HG3 -0.02 -0.06 -0.41 -0.04 1.67 1.14 2o13A19 ARG 146 HD2 0.02 -0.02 -0.30 -0.04 3.22 2.87 2o13A19 ARG 146 HD3 0.04 0.27 -0.15 -0.04 3.22 3.33 2o13A19 CYS 147 H -0.09 0.39 0.22 -0.55 8.50 8.47 2o13A19 CYS 147 HA -0.19 0.52 1.08 -0.75 4.58 5.24 2o13A19 CYS 147 HB2 0.08 0.20 0.40 -0.04 2.97 3.61 2o13A19 CYS 147 HB3 -0.04 -0.07 0.11 -0.04 2.97 2.92 2o13A19 ALA 148 H -0.05 0.32 0.23 -0.55 8.40 8.35 2o13A19 ALA 148 HA 0.01 0.16 0.54 -0.75 4.34 4.30 2o13A19 ALA 148 HB3 0.03 0.04 0.12 -0.04 1.41 1.55 2o13A19 ILE 149 H 0.09 -0.07 -0.33 -0.55 8.25 7.39 2o13A19 ILE 149 HA 0.04 0.24 0.51 -0.75 4.18 4.22 2o13A19 ILE 149 HB 0.09 -0.18 0.13 -0.04 1.89 1.90 2o13A19 ILE 149 HG12 0.07 0.11 -0.03 -0.04 1.49 1.60 2o13A19 ILE 149 HG13 0.29 -0.08 0.03 -0.04 1.21 1.40 2o13A19 ILE 149 HG23 -0.00 0.03 -0.10 -0.04 0.93 0.81 2o13A19 ILE 149 HD13 -0.11 0.00 -0.05 -0.04 0.88 0.68 2o13A19 CYS 150 H 0.04 -0.04 0.03 -0.55 8.50 7.98 2o13A19 CYS 150 HA 0.01 0.25 0.67 -0.75 4.58 4.75 2o13A19 CYS 150 HB2 0.01 -0.03 0.03 -0.04 2.97 2.94 2o13A19 CYS 150 HB3 0.01 0.09 0.10 -0.04 2.97 3.12 2o13A19 GLY 151 H 0.02 -0.09 -0.45 -0.55 8.43 7.35 2o13A19 GLY 151 HA2 0.01 0.09 0.28 -0.51 4.01 3.88 2o13A19 GLY 151 HA3 0.01 0.10 0.44 -0.51 4.01 4.05 2o13A19 LYS 152 H -0.01 0.08 0.02 -0.55 8.42 7.95 2o13A19 LYS 152 HA 0.01 0.24 0.92 -0.75 4.32 4.73 2o13A19 LYS 152 HB2 0.00 0.14 -0.24 -0.04 1.87 1.73 2o13A19 LYS 152 HB3 -0.01 -0.20 0.00 -0.04 1.79 1.54 2o13A19 LYS 152 HG2 -0.00 0.27 -0.24 -0.04 1.46 1.45 2o13A19 LYS 152 HG3 0.01 0.01 0.04 -0.04 1.46 1.48 2o13A19 LYS 152 HD2 0.00 0.02 -0.02 -0.04 1.69 1.65 2o13A19 LYS 152 HD3 -0.00 -0.15 -0.02 -0.04 1.68 1.47 2o13A19 LYS 152 HE2 0.00 0.02 0.03 -0.04 2.99 3.01 2o13A19 LYS 152 HE3 0.01 0.04 0.02 -0.04 2.99 3.02 2o13A19 SER 153 H 0.01 0.14 0.16 -0.55 8.46 8.23 2o13A19 SER 153 HA 0.01 0.11 0.48 -0.75 4.49 4.34 2o13A19 SER 153 HB2 0.04 -0.11 0.10 -0.04 3.95 3.94 2o13A19 SER 153 HB3 0.08 0.29 0.12 -0.04 3.93 4.37 2o13A19 LEU 154 H 0.03 0.83 0.38 -0.55 8.37 9.07 2o13A19 LEU 154 HA -0.00 0.04 0.83 -0.75 4.35 4.46 2o13A19 LEU 154 HB2 -0.41 0.04 0.03 -0.04 1.64 1.26 2o13A19 LEU 154 HB3 -0.13 0.15 0.11 -0.04 1.64 1.72 2o13A19 LEU 154 HG -0.20 0.04 0.06 -0.04 1.64 1.50 2o13A19 LEU 154 HD13 -0.40 -0.03 -0.21 -0.04 0.93 0.26 2o13A19 LEU 154 HD23 -0.07 0.00 -0.05 -0.04 0.89 0.73 2o13A19 GLU 155 H 0.05 0.08 0.21 -0.55 8.60 8.39 2o13A19 GLU 155 HA 0.11 0.25 0.82 -0.75 4.29 4.72 2o13A19 GLU 155 HB2 0.04 -0.06 0.03 -0.04 2.09 2.06 2o13A19 GLU 155 HB3 0.04 -0.00 0.06 -0.04 1.99 2.05 2o13A19 GLU 155 HG2 0.04 0.01 -0.02 -0.04 2.34 2.33 2o13A19 GLU 155 HG3 0.03 0.02 -0.00 -0.04 2.34 2.35 2o13A19 SER 156 H 0.05 0.21 0.07 -0.55 8.46 8.24 2o13A19 SER 156 HA 0.14 0.10 0.33 -0.75 4.49 4.30 2o13A19 SER 156 HB2 0.00 0.02 0.21 -0.04 3.95 4.14 2o13A19 SER 156 HB3 -0.00 0.03 0.15 -0.04 3.93 4.07 2o13A19 THR 157 H 0.08 0.43 0.15 -0.55 8.28 8.39 2o13A19 THR 157 HA 0.02 0.10 0.41 -0.75 4.39 4.17 2o13A19 THR 157 HB 0.02 0.22 -0.02 -0.04 4.32 4.50 2o13A19 THR 157 HG23 0.02 -0.04 -0.31 -0.04 1.22 0.85 2o13A19 ASN 158 H 0.04 0.29 0.11 -0.55 8.53 8.42 2o13A19 ASN 158 HA -0.01 0.21 1.00 -0.75 4.76 5.21 2o13A19 ASN 158 HB2 0.01 0.08 -0.01 -0.04 2.88 2.91 2o13A19 ASN 158 HB3 -0.00 -0.03 0.28 -0.04 2.79 3.00 2o13A19 ASN 158 HD21 -0.01 0.09 0.13 -0.04 7.03 7.20 2o13A19 ASN 158 HD22 -0.00 -0.08 0.10 -0.04 7.74 7.71 2o13A19 VAL 159 H -0.04 0.34 -0.06 -0.55 8.24 7.93 2o13A19 VAL 159 HA -0.20 0.17 0.70 -0.75 4.13 4.04 2o13A19 VAL 159 HB -0.40 0.11 -0.23 -0.04 2.12 1.56 2o13A19 VAL 159 HG13 0.10 -0.03 -0.14 -0.04 0.97 0.86 2o13A19 VAL 159 HG23 -0.61 -0.02 -0.21 -0.04 0.95 0.07 2o13A19 THR 160 H -0.20 0.66 0.26 -0.55 8.28 8.45 2o13A19 THR 160 HA -0.17 0.14 0.62 -0.75 4.39 4.23 2o13A19 THR 160 HB -0.39 -0.03 -0.05 -0.04 4.32 3.81 2o13A19 THR 160 HG23 -0.45 0.03 -0.09 -0.04 1.22 0.68 2o13A19 ASP 161 H -0.18 0.18 0.11 -0.55 8.40 7.96 2o13A19 ASP 161 HA -0.23 0.25 0.74 -0.75 4.63 4.64 2o13A19 ASP 161 HB2 -0.16 -0.01 -0.09 -0.04 2.71 2.41 2o13A19 ASP 161 HB3 -0.08 0.02 0.09 -0.04 2.70 2.69 2o13A19 LYS 162 H -0.11 0.86 0.22 -0.55 8.42 8.84 2o13A19 LYS 162 HA 0.03 0.14 0.82 -0.75 4.32 4.55 2o13A19 LYS 162 HB2 0.07 0.02 -0.15 -0.04 1.87 1.76 2o13A19 LYS 162 HB3 0.38 0.01 0.13 -0.04 1.79 2.26 2o13A19 LYS 162 HG2 0.17 -0.00 -0.14 -0.04 1.46 1.44 2o13A19 LYS 162 HG3 0.20 0.03 0.03 -0.04 1.46 1.69 2o13A19 LYS 162 HD2 0.22 0.06 -0.03 -0.04 1.69 1.89 2o13A19 LYS 162 HD3 0.58 -0.02 -0.04 -0.04 1.68 2.15 2o13A19 LYS 162 HE2 0.11 -0.00 -0.05 -0.04 2.99 3.01 2o13A19 LYS 162 HE3 0.49 -0.04 -0.03 -0.04 2.99 3.37 2o13A19 ASP 163 H 0.04 0.22 0.05 -0.55 8.40 8.17 2o13A19 ASP 163 HA 0.05 0.07 0.31 -0.75 4.63 4.31 2o13A19 ASP 163 HB2 0.08 0.17 0.06 -0.04 2.71 2.99 2o13A19 ASP 163 HB3 0.06 0.03 0.18 -0.04 2.70 2.93 2o13A19 GLY 164 H 0.02 0.01 -0.39 -0.55 8.43 7.52 2o13A19 GLY 164 HA2 0.11 -0.01 0.23 -0.51 4.01 3.83 2o13A19 GLY 164 HA3 0.09 0.22 0.69 -0.51 4.01 4.50 2o13A19 GLU 165 H -0.02 0.39 -0.50 -0.55 8.60 7.93 2o13A19 GLU 165 HA -0.16 0.14 0.85 -0.75 4.29 4.36 2o13A19 GLU 165 HB2 -0.06 0.24 0.16 -0.04 2.09 2.39 2o13A19 GLU 165 HB3 -0.57 -0.04 -0.01 -0.04 1.99 1.34 2o13A19 GLU 165 HG2 -0.06 -0.00 0.02 -0.04 2.34 2.26 2o13A19 GLU 165 HG3 0.01 0.05 -0.10 -0.04 2.34 2.27 2o13A19 LEU 166 H -0.42 0.21 0.24 -0.55 8.37 7.85 2o13A19 LEU 166 HA -0.47 0.20 0.81 -0.75 4.35 4.14 2o13A19 LEU 166 HB2 -0.49 0.29 0.13 -0.04 1.64 1.54 2o13A19 LEU 166 HB3 -0.61 -0.05 -0.14 -0.04 1.64 0.80 2o13A19 LEU 166 HG -1.06 -0.02 -0.03 -0.04 1.64 0.49 2o13A19 LEU 166 HD13 -0.62 -0.02 -0.23 -0.04 0.93 0.02 2o13A19 LEU 166 HD23 -0.97 -0.00 0.02 -0.04 0.89 -0.11 2o13A19 TYR 167 H -0.26 0.62 0.34 -0.55 8.29 8.44 2o13A19 TYR 167 HA -0.09 -0.02 0.76 -0.75 4.56 4.45 2o13A19 TYR 167 HB2 -0.05 0.09 0.03 -0.04 3.06 3.09 2o13A19 TYR 167 HB3 0.05 -0.12 0.07 -0.04 2.98 2.94 2o13A19 TYR 167 HD2 -0.03 -0.07 -0.02 -0.04 7.15 6.99 2o13A19 TYR 167 HE2 0.03 0.02 -0.03 -0.04 6.85 6.83 2o13A19 CYS 168 H 0.07 0.03 0.16 -0.55 8.50 8.22 2o13A19 CYS 168 HA -0.06 0.36 0.54 -0.75 4.58 4.67 2o13A19 CYS 168 HB2 0.02 -0.28 0.07 -0.04 2.97 2.74 2o13A19 CYS 168 HB3 -0.01 0.12 0.16 -0.04 2.97 3.20 2o13A19 LYS 169 H 0.00 0.23 0.01 -0.55 8.42 8.11 2o13A19 LYS 169 HA 0.07 0.15 0.23 -0.75 4.32 4.02 2o13A19 LYS 169 HB2 0.01 0.00 0.10 -0.04 1.87 1.94 2o13A19 LYS 169 HB3 0.02 0.01 0.05 -0.04 1.79 1.83 2o13A19 LYS 169 HG2 0.05 0.00 -0.01 -0.04 1.46 1.46 2o13A19 LYS 169 HG3 0.04 0.04 0.03 -0.04 1.46 1.53 2o13A19 LYS 169 HD2 0.02 0.08 0.06 -0.04 1.69 1.81 2o13A19 LYS 169 HD3 0.02 -0.01 -0.00 -0.04 1.68 1.64 2o13A19 LYS 169 HE2 0.03 0.02 0.02 -0.04 2.99 3.01 2o13A19 LYS 169 HE3 0.02 0.02 0.02 -0.04 2.99 3.01 2o13A19 VAL 170 H 0.03 -0.02 -0.34 -0.55 8.24 7.37 2o13A19 VAL 170 HA 0.03 0.22 0.44 -0.75 4.13 4.06 2o13A19 VAL 170 HB 0.02 -0.08 0.07 -0.04 2.12 2.09 2o13A19 VAL 170 HG13 0.01 0.03 -0.11 -0.04 0.97 0.86 2o13A19 VAL 170 HG23 0.01 0.02 -0.00 -0.04 0.95 0.94 2o13A19 CYS 171 H 0.04 0.02 -0.10 -0.55 8.50 7.91 2o13A19 CYS 171 HA -0.02 0.17 0.35 -0.75 4.58 4.32 2o13A19 CYS 171 HB2 -0.01 0.08 0.04 -0.04 2.97 3.03 2o13A19 CYS 171 HB3 0.01 0.06 0.07 -0.04 2.97 3.07 2o13A19 TYR 172 H 0.14 0.37 -0.25 -0.55 8.29 8.00 2o13A19 TYR 172 HA -0.19 0.03 0.44 -0.75 4.56 4.08 2o13A19 TYR 172 HB2 0.05 -0.05 -0.04 -0.04 3.06 2.98 2o13A19 TYR 172 HB3 0.01 0.08 -0.06 -0.04 2.98 2.97 2o13A19 TYR 172 HD2 -0.09 -0.01 -0.13 -0.04 7.15 6.88 2o13A19 TYR 172 HE2 0.03 0.01 -0.07 -0.04 6.85 6.78 2o13A19 ALA 173 H 0.09 0.22 -0.43 -0.55 8.40 7.72 2o13A19 ALA 173 HA -0.06 0.08 0.41 -0.75 4.34 4.01 2o13A19 ALA 173 HB3 0.04 0.02 0.10 -0.04 1.41 1.53 2o13A19 LYS 174 H -0.01 0.19 -0.39 -0.55 8.42 7.66 2o13A19 LYS 174 HA 0.02 0.08 0.45 -0.75 4.32 4.11 2o13A19 LYS 174 HB2 -0.01 0.02 0.07 -0.04 1.87 1.91 2o13A19 LYS 174 HB3 -0.05 -0.07 0.18 -0.04 1.79 1.81 2o13A19 LYS 174 HG2 -0.08 0.03 -0.23 -0.04 1.46 1.14 2o13A19 LYS 174 HG3 -0.03 -0.00 -0.00 -0.04 1.46 1.39 2o13A19 LYS 174 HD2 -0.02 -0.03 -0.05 -0.04 1.69 1.55 2o13A19 LYS 174 HD3 -0.04 -0.05 -0.04 -0.04 1.68 1.51 2o13A19 LYS 174 HE2 -0.05 0.02 -0.05 -0.04 2.99 2.87 2o13A19 LYS 174 HE3 -0.03 0.01 -0.03 -0.04 2.99 2.90 2o13A19 ASN 175 H -0.17 0.56 0.04 -0.55 8.53 8.41 2o13A19 ASN 175 HA -0.49 0.15 0.56 -0.75 4.76 4.21 2o13A19 ASN 175 HB2 -0.26 0.04 0.10 -0.04 2.88 2.71 2o13A19 ASN 175 HB3 -0.32 -0.02 0.00 -0.04 2.79 2.41 2o13A19 ASN 175 HD21 -0.13 -0.05 -0.00 -0.04 7.03 6.80 2o13A19 ASN 175 HD22 -0.09 -0.01 -0.01 -0.04 7.74 7.58 2o13A19 PHE 176 H -0.28 0.23 -0.15 -0.55 8.34 7.58 2o13A19 PHE 176 HA -0.66 0.05 0.20 -0.75 4.62 3.45 2o13A19 PHE 176 HB2 -0.28 -0.09 0.04 -0.04 3.15 2.78 2o13A19 PHE 176 HB3 -0.39 0.09 -0.04 -0.04 3.06 2.68 2o13A19 PHE 176 HD2 -0.14 0.04 -0.23 -0.04 7.28 6.91 2o13A19 PHE 176 HE2 -0.07 -0.03 -0.02 -0.04 7.38 7.22 2o13A19 PHE 176 HZ -0.06 -0.08 -0.01 -0.04 7.32 7.13