============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 4 rings ring int. center anis. iso. PHE 34 1.000 -12.937 -0.728 1.842 -99.200 -91.000 PHE 46 1.000 -3.453 0.101 11.758 -99.200 -91.000 HIS 64 0.900 -3.735 5.937 -6.535 -99.200 -91.000 TYR 84 0.840 1.093 5.652 11.348 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1z86A16 ARG 79 HA 0.02 -0.01 0.26 -0.75 4.34 3.85 1z86A16 ARG 79 HB2 0.01 -0.01 0.03 -0.04 1.90 1.88 1z86A16 ARG 79 HB3 0.01 -0.02 0.01 -0.04 1.80 1.76 1z86A16 ARG 79 HG2 0.00 -0.03 -0.16 -0.04 1.67 1.44 1z86A16 ARG 79 HG3 0.01 -0.00 -0.09 -0.04 1.67 1.54 1z86A16 ARG 79 HD2 0.01 -0.02 -0.09 -0.04 3.22 3.08 1z86A16 ARG 79 HD3 0.01 0.02 -0.04 -0.04 3.22 3.16 1z86A16 ARG 80 H 0.01 0.49 0.29 -0.55 8.46 8.70 1z86A16 ARG 80 HA -0.00 0.09 0.67 -0.75 4.34 4.34 1z86A16 ARG 80 HB2 -0.02 0.00 0.00 -0.04 1.90 1.84 1z86A16 ARG 80 HB3 0.00 0.13 -0.02 -0.04 1.80 1.87 1z86A16 ARG 80 HG2 0.01 0.24 0.14 -0.04 1.67 2.01 1z86A16 ARG 80 HG3 -0.03 -0.03 -0.08 -0.04 1.67 1.49 1z86A16 ARG 80 HD2 0.04 0.12 -0.17 -0.04 3.22 3.16 1z86A16 ARG 80 HD3 0.06 -0.19 -0.03 -0.04 3.22 3.02 1z86A16 ARG 81 H -0.01 0.21 0.14 -0.55 8.46 8.24 1z86A16 ARG 81 HA -0.02 0.17 0.78 -0.75 4.34 4.52 1z86A16 ARG 81 HB2 -0.01 -0.06 -0.17 -0.04 1.90 1.61 1z86A16 ARG 81 HB3 -0.01 0.00 -0.11 -0.04 1.80 1.64 1z86A16 ARG 81 HG2 -0.01 0.02 0.20 -0.04 1.67 1.83 1z86A16 ARG 81 HG3 -0.01 0.00 -0.02 -0.04 1.67 1.61 1z86A16 ARG 81 HD2 -0.01 -0.06 -0.04 -0.04 3.22 3.07 1z86A16 ARG 81 HD3 -0.01 0.06 0.05 -0.04 3.22 3.28 1z86A16 VAL 82 H -0.03 0.68 0.11 -0.55 8.24 8.45 1z86A16 VAL 82 HA -0.05 0.19 0.88 -0.75 4.13 4.40 1z86A16 VAL 82 HB -0.05 -0.09 0.28 -0.04 2.12 2.23 1z86A16 VAL 82 HG13 -0.08 0.02 -0.15 -0.04 0.97 0.71 1z86A16 VAL 82 HG23 -0.09 0.09 0.00 -0.04 0.95 0.91 1z86A16 THR 83 H -0.03 0.27 0.06 -0.55 8.28 8.03 1z86A16 THR 83 HA -0.02 0.15 0.50 -0.75 4.39 4.27 1z86A16 THR 83 HB -0.02 0.03 0.10 -0.04 4.32 4.40 1z86A16 THR 83 HG23 -0.01 -0.01 -0.15 -0.04 1.22 1.00 1z86A16 VAL 84 H -0.02 0.52 0.35 -0.55 8.24 8.54 1z86A16 VAL 84 HA -0.01 0.17 0.96 -0.75 4.13 4.49 1z86A16 VAL 84 HB -0.02 0.03 0.13 -0.04 2.12 2.22 1z86A16 VAL 84 HG13 -0.01 -0.03 -0.15 -0.04 0.97 0.74 1z86A16 VAL 84 HG23 -0.02 -0.01 -0.31 -0.04 0.95 0.57 1z86A16 ARG 85 H -0.01 0.21 0.12 -0.55 8.46 8.23 1z86A16 ARG 85 HA -0.01 0.35 0.76 -0.75 4.34 4.70 1z86A16 ARG 85 HB2 -0.01 0.04 0.03 -0.04 1.90 1.92 1z86A16 ARG 85 HB3 -0.01 0.02 -0.04 -0.04 1.80 1.73 1z86A16 ARG 85 HG2 -0.01 -0.05 -0.31 -0.04 1.67 1.26 1z86A16 ARG 85 HG3 -0.01 0.02 -0.17 -0.04 1.67 1.46 1z86A16 ARG 85 HD2 -0.01 0.03 -0.05 -0.04 3.22 3.15 1z86A16 ARG 85 HD3 -0.01 0.02 -0.06 -0.04 3.22 3.14 1z86A16 LYS 86 H -0.01 0.14 0.07 -0.55 8.42 8.07 1z86A16 LYS 86 HA -0.01 0.02 0.36 -0.75 4.32 3.94 1z86A16 LYS 86 HB2 -0.01 -0.06 0.12 -0.04 1.87 1.89 1z86A16 LYS 86 HB3 -0.01 -0.01 0.08 -0.04 1.79 1.81 1z86A16 LYS 86 HG2 -0.01 0.14 0.15 -0.04 1.46 1.70 1z86A16 LYS 86 HG3 -0.01 -0.07 0.00 -0.04 1.46 1.34 1z86A16 LYS 86 HD2 -0.01 0.04 0.12 -0.04 1.69 1.80 1z86A16 LYS 86 HD3 -0.01 -0.02 0.08 -0.04 1.68 1.69 1z86A16 LYS 86 HE2 -0.02 0.06 0.03 -0.04 2.99 3.02 1z86A16 LYS 86 HE3 -0.02 0.07 -0.03 -0.04 2.99 2.98 1z86A16 ALA 87 H -0.00 0.20 0.02 -0.55 8.40 8.07 1z86A16 ALA 87 HA -0.00 0.18 0.66 -0.75 4.34 4.42 1z86A16 ALA 87 HB3 -0.00 -0.03 -0.02 -0.04 1.41 1.32 1z86A16 ASP 88 H -0.00 -0.01 0.11 -0.55 8.40 7.95 1z86A16 ASP 88 HA -0.00 0.22 0.76 -0.75 4.63 4.85 1z86A16 ASP 88 HB2 -0.00 -0.05 -0.10 -0.04 2.71 2.52 1z86A16 ASP 88 HB3 0.00 -0.02 0.08 -0.04 2.70 2.72 1z86A16 ALA 89 H 0.00 0.01 0.21 -0.55 8.40 8.07 1z86A16 ALA 89 HA -0.00 0.24 0.79 -0.75 4.34 4.62 1z86A16 ALA 89 HB3 0.00 0.01 0.09 -0.04 1.41 1.47 1z86A16 GLY 90 H 0.00 -0.04 0.16 -0.55 8.43 8.01 1z86A16 GLY 90 HA2 0.00 0.08 0.43 -0.51 4.01 4.01 1z86A16 GLY 90 HA3 0.00 -0.01 0.35 -0.51 4.01 3.84 1z86A16 GLY 91 H -0.01 -0.08 0.01 -0.55 8.43 7.81 1z86A16 GLY 91 HA2 -0.01 -0.00 0.32 -0.51 4.01 3.81 1z86A16 GLY 91 HA3 -0.02 0.21 0.44 -0.51 4.01 4.14 1z86A16 LEU 92 H -0.01 0.02 0.02 -0.55 8.37 7.85 1z86A16 LEU 92 HA -0.01 -0.07 0.35 -0.75 4.35 3.86 1z86A16 LEU 92 HB2 -0.03 0.20 -0.32 -0.04 1.64 1.45 1z86A16 LEU 92 HB3 -0.03 0.01 0.07 -0.04 1.64 1.64 1z86A16 LEU 92 HG -0.02 -0.09 0.00 -0.04 1.64 1.49 1z86A16 LEU 92 HD13 -0.02 0.02 -0.10 -0.04 0.93 0.79 1z86A16 LEU 92 HD23 -0.02 0.05 -0.01 -0.04 0.89 0.87 1z86A16 GLY 93 H 0.00 0.06 0.00 -0.55 8.43 7.95 1z86A16 GLY 93 HA2 -0.13 0.33 0.82 -0.51 4.01 4.52 1z86A16 GLY 93 HA3 -0.02 -0.09 0.32 -0.51 4.01 3.71 1z86A16 ILE 94 H -0.06 0.38 0.07 -0.55 8.25 8.09 1z86A16 ILE 94 HA 0.26 0.17 0.76 -0.75 4.18 4.61 1z86A16 ILE 94 HB 0.10 -0.02 -0.13 -0.04 1.89 1.79 1z86A16 ILE 94 HG12 0.02 -0.08 -0.21 -0.04 1.49 1.18 1z86A16 ILE 94 HG13 0.02 0.04 -0.06 -0.04 1.21 1.17 1z86A16 ILE 94 HG23 0.11 -0.04 0.02 -0.04 0.93 0.97 1z86A16 ILE 94 HD13 0.03 0.01 -0.21 -0.04 0.88 0.66 1z86A16 SER 95 H 0.20 0.50 0.18 -0.55 8.46 8.80 1z86A16 SER 95 HA 0.08 0.20 0.98 -0.75 4.49 5.00 1z86A16 SER 95 HB2 0.27 0.06 0.09 -0.04 3.95 4.33 1z86A16 SER 95 HB3 0.14 -0.11 0.05 -0.04 3.93 3.97 1z86A16 ILE 96 H 0.11 0.21 0.18 -0.55 8.25 8.21 1z86A16 ILE 96 HA 0.11 0.13 1.09 -0.75 4.18 4.76 1z86A16 ILE 96 HB 0.15 0.07 0.07 -0.04 1.89 2.14 1z86A16 ILE 96 HG12 0.07 -0.03 0.05 -0.04 1.49 1.53 1z86A16 ILE 96 HG13 0.23 -0.03 -0.28 -0.04 1.21 1.09 1z86A16 ILE 96 HG23 0.05 -0.00 -0.24 -0.04 0.93 0.70 1z86A16 ILE 96 HD13 -0.10 0.00 -0.18 -0.04 0.88 0.56 1z86A16 LYS 97 H 0.15 0.74 0.36 -0.55 8.42 9.11 1z86A16 LYS 97 HA -0.97 0.04 0.60 -0.75 4.32 3.24 1z86A16 LYS 97 HB2 -0.19 0.01 -0.02 -0.04 1.87 1.63 1z86A16 LYS 97 HB3 -0.12 0.12 -0.08 -0.04 1.79 1.67 1z86A16 LYS 97 HG2 -0.01 0.02 -0.22 -0.04 1.46 1.21 1z86A16 LYS 97 HG3 0.02 -0.03 -0.24 -0.04 1.46 1.16 1z86A16 LYS 97 HD2 0.00 0.00 -0.14 -0.04 1.69 1.51 1z86A16 LYS 97 HD3 -0.05 0.02 -0.33 -0.04 1.68 1.28 1z86A16 LYS 97 HE2 -0.03 0.01 -0.12 -0.04 2.99 2.80 1z86A16 LYS 97 HE3 -0.03 -0.00 -0.10 -0.04 2.99 2.82 1z86A16 GLY 98 H -0.62 0.24 0.23 -0.55 8.43 7.73 1z86A16 GLY 98 HA2 -0.01 0.25 0.28 -0.51 4.01 4.03 1z86A16 GLY 98 HA3 0.10 0.00 0.19 -0.51 4.01 3.79 1z86A16 GLY 99 H 0.02 0.89 0.01 -0.55 8.43 8.81 1z86A16 GLY 99 HA2 0.03 -0.11 0.65 -0.51 4.01 4.08 1z86A16 GLY 99 HA3 0.00 0.08 0.42 -0.51 4.01 4.00 1z86A16 ARG 100 H 0.03 0.10 0.06 -0.55 8.46 8.11 1z86A16 ARG 100 HA 0.02 0.14 0.28 -0.75 4.34 4.02 1z86A16 ARG 100 HB2 0.01 0.21 0.06 -0.04 1.90 2.14 1z86A16 ARG 100 HB3 0.02 0.09 -0.05 -0.04 1.80 1.81 1z86A16 ARG 100 HG2 0.02 -0.14 -0.13 -0.04 1.67 1.39 1z86A16 ARG 100 HG3 0.02 -0.01 -0.11 -0.04 1.67 1.52 1z86A16 ARG 100 HD2 0.01 0.13 -0.08 -0.04 3.22 3.24 1z86A16 ARG 100 HD3 0.01 -0.17 -0.21 -0.04 3.22 2.81 1z86A16 GLU 101 H 0.02 -0.07 -0.39 -0.55 8.60 7.61 1z86A16 GLU 101 HA 0.01 0.13 0.39 -0.75 4.29 4.07 1z86A16 GLU 101 HB2 0.01 -0.12 0.11 -0.04 2.09 2.05 1z86A16 GLU 101 HB3 0.01 0.06 0.01 -0.04 1.99 2.02 1z86A16 GLU 101 HG2 0.01 0.06 -0.01 -0.04 2.34 2.36 1z86A16 GLU 101 HG3 0.01 0.02 0.06 -0.04 2.34 2.39 1z86A16 ASN 102 H 0.01 0.11 -0.15 -0.55 8.53 7.95 1z86A16 ASN 102 HA 0.00 0.18 0.64 -0.75 4.76 4.84 1z86A16 ASN 102 HB2 -0.00 0.04 0.14 -0.04 2.88 3.02 1z86A16 ASN 102 HB3 0.00 -0.06 0.05 -0.04 2.79 2.74 1z86A16 ASN 102 HD21 0.00 -0.15 0.08 -0.04 7.03 6.92 1z86A16 ASN 102 HD22 -0.01 -0.06 0.04 -0.04 7.74 7.67 1z86A16 LYS 103 H 0.01 0.24 -0.84 -0.55 8.42 7.27 1z86A16 LYS 103 HA 0.01 0.06 0.26 -0.75 4.32 3.89 1z86A16 LYS 103 HB2 0.00 0.19 0.30 -0.04 1.87 2.32 1z86A16 LYS 103 HB3 0.00 -0.06 0.18 -0.04 1.79 1.87 1z86A16 LYS 103 HG2 0.00 -0.06 -0.66 -0.04 1.46 0.70 1z86A16 LYS 103 HG3 0.00 -0.04 -0.09 -0.04 1.46 1.30 1z86A16 LYS 103 HD2 0.00 0.02 0.03 -0.04 1.69 1.71 1z86A16 LYS 103 HD3 0.00 0.08 -0.03 -0.04 1.68 1.70 1z86A16 LYS 103 HE2 0.00 -0.02 0.01 -0.04 2.99 2.94 1z86A16 LYS 103 HE3 0.00 -0.02 -0.01 -0.04 2.99 2.92 1z86A16 MET 104 H 0.01 0.54 -0.16 -0.55 8.47 8.31 1z86A16 MET 104 HA 0.01 0.30 0.83 -0.75 4.52 4.91 1z86A16 MET 104 HB2 -0.00 0.09 -0.12 -0.04 2.15 2.08 1z86A16 MET 104 HB3 0.00 -0.16 0.09 -0.04 2.03 1.91 1z86A16 MET 104 HG2 -0.00 -0.23 -0.22 -0.04 2.63 2.13 1z86A16 MET 104 HG3 0.00 0.18 -0.09 -0.04 2.56 2.62 1z86A16 MET 104 HE3 -0.05 -0.01 -0.25 -0.04 2.10 1.75 1z86A16 PRO 105 HA 0.02 0.01 0.36 -0.51 4.44 4.32 1z86A16 PRO 105 HB2 0.02 0.08 -0.10 -0.04 2.28 2.23 1z86A16 PRO 105 HB3 0.02 0.01 0.01 -0.04 2.02 2.02 1z86A16 PRO 105 HG2 0.01 0.05 0.03 -0.04 2.03 2.08 1z86A16 PRO 105 HG3 0.01 0.05 -0.01 -0.04 2.03 2.04 1z86A16 PRO 105 HD2 0.01 0.08 0.16 -0.04 3.68 3.89 1z86A16 PRO 105 HD3 0.01 0.43 0.23 -0.04 3.65 4.28 1z86A16 ILE 106 H 0.04 0.15 0.12 -0.55 8.25 8.01 1z86A16 ILE 106 HA 0.10 0.01 0.39 -0.75 4.18 3.92 1z86A16 ILE 106 HB 0.04 0.27 0.14 -0.04 1.89 2.30 1z86A16 ILE 106 HG12 0.06 -0.07 0.08 -0.04 1.49 1.52 1z86A16 ILE 106 HG13 0.04 0.06 -0.01 -0.04 1.21 1.26 1z86A16 ILE 106 HG23 0.10 -0.05 -0.13 -0.04 0.93 0.81 1z86A16 ILE 106 HD13 0.13 -0.01 -0.11 -0.04 0.88 0.85 1z86A16 LEU 107 H 0.08 0.50 0.37 -0.55 8.37 8.78 1z86A16 LEU 107 HA 0.05 0.16 1.00 -0.75 4.35 4.80 1z86A16 LEU 107 HB2 0.04 0.01 0.02 -0.04 1.64 1.66 1z86A16 LEU 107 HB3 0.05 -0.06 0.10 -0.04 1.64 1.69 1z86A16 LEU 107 HG 0.04 0.13 -0.75 -0.04 1.64 1.01 1z86A16 LEU 107 HD13 0.02 -0.01 -0.05 -0.04 0.93 0.85 1z86A16 LEU 107 HD23 0.03 -0.04 -0.20 -0.04 0.89 0.64 1z86A16 ILE 108 H 0.07 0.41 0.29 -0.55 8.25 8.47 1z86A16 ILE 108 HA 0.08 0.15 0.83 -0.75 4.18 4.48 1z86A16 ILE 108 HB 0.08 -0.16 0.13 -0.04 1.89 1.89 1z86A16 ILE 108 HG12 0.05 0.02 -0.20 -0.04 1.49 1.32 1z86A16 ILE 108 HG13 0.05 0.06 -0.08 -0.04 1.21 1.20 1z86A16 ILE 108 HG23 0.09 -0.04 -0.20 -0.04 0.93 0.73 1z86A16 ILE 108 HD13 0.01 0.07 -0.20 -0.04 0.88 0.72 1z86A16 SER 109 H 0.09 0.90 0.46 -0.55 8.46 9.36 1z86A16 SER 109 HA 0.05 0.12 0.85 -0.75 4.49 4.76 1z86A16 SER 109 HB2 0.05 0.04 -0.20 -0.04 3.95 3.80 1z86A16 SER 109 HB3 0.04 0.00 0.04 -0.04 3.93 3.97 1z86A16 LYS 110 H 0.10 0.14 0.18 -0.55 8.42 8.29 1z86A16 LYS 110 HA 0.03 0.15 0.59 -0.75 4.32 4.34 1z86A16 LYS 110 HB2 0.11 0.04 -0.31 -0.04 1.87 1.67 1z86A16 LYS 110 HB3 0.27 -0.10 0.19 -0.04 1.79 2.11 1z86A16 LYS 110 HG2 -0.14 -0.00 -0.04 -0.04 1.46 1.24 1z86A16 LYS 110 HG3 -0.01 0.12 0.14 -0.04 1.46 1.67 1z86A16 LYS 110 HD2 0.08 0.01 -0.03 -0.04 1.69 1.71 1z86A16 LYS 110 HD3 0.15 -0.03 -0.02 -0.04 1.68 1.74 1z86A16 LYS 110 HE2 -0.01 0.04 0.02 -0.04 2.99 2.99 1z86A16 LYS 110 HE3 0.02 -0.00 -0.01 -0.04 2.99 2.96 1z86A16 ILE 111 H 0.06 0.16 0.08 -0.55 8.25 8.00 1z86A16 ILE 111 HA 0.18 0.02 0.69 -0.75 4.18 4.31 1z86A16 ILE 111 HB 0.08 0.01 0.15 -0.04 1.89 2.10 1z86A16 ILE 111 HG12 0.11 -0.12 0.01 -0.04 1.49 1.44 1z86A16 ILE 111 HG13 0.19 -0.18 0.14 -0.04 1.21 1.32 1z86A16 ILE 111 HG23 0.17 0.08 -0.00 -0.04 0.93 1.14 1z86A16 ILE 111 HD13 0.11 0.11 -0.31 -0.04 0.88 0.75 1z86A16 PHE 112 H 0.35 0.37 0.40 -0.55 8.34 8.91 1z86A16 PHE 112 HA 0.02 0.14 0.74 -0.75 4.62 4.77 1z86A16 PHE 112 HB2 0.02 0.13 0.04 -0.04 3.15 3.30 1z86A16 PHE 112 HB3 0.02 0.03 0.01 -0.04 3.06 3.07 1z86A16 PHE 112 HD2 0.02 0.05 -0.05 -0.04 7.28 7.25 1z86A16 PHE 112 HE2 0.02 0.00 -0.05 -0.04 7.38 7.31 1z86A16 PHE 112 HZ 0.01 0.01 -0.04 -0.04 7.32 7.26 1z86A16 LYS 113 H 0.05 0.20 0.21 -0.55 8.42 8.32 1z86A16 LYS 113 HA 0.07 0.11 0.90 -0.75 4.32 4.65 1z86A16 LYS 113 HB2 -0.01 0.05 0.07 -0.04 1.87 1.95 1z86A16 LYS 113 HB3 0.02 0.04 0.02 -0.04 1.79 1.82 1z86A16 LYS 113 HG2 0.03 -0.11 0.13 -0.04 1.46 1.47 1z86A16 LYS 113 HG3 -0.00 0.05 0.02 -0.04 1.46 1.49 1z86A16 LYS 113 HD2 0.01 -0.00 -0.07 -0.04 1.69 1.59 1z86A16 LYS 113 HD3 0.01 0.03 0.00 -0.04 1.68 1.68 1z86A16 LYS 113 HE2 -0.01 0.02 -0.01 -0.04 2.99 2.96 1z86A16 LYS 113 HE3 -0.02 0.02 0.00 -0.04 2.99 2.95 1z86A16 GLY 114 H 0.05 0.20 0.10 -0.55 8.43 8.23 1z86A16 GLY 114 HA2 0.03 0.06 0.35 -0.51 4.01 3.95 1z86A16 GLY 114 HA3 0.05 0.21 0.70 -0.51 4.01 4.45 1z86A16 LEU 115 H 0.08 0.09 -0.66 -0.55 8.37 7.32 1z86A16 LEU 115 HA 0.03 0.23 0.69 -0.75 4.35 4.55 1z86A16 LEU 115 HB2 0.06 0.02 -0.04 -0.04 1.64 1.63 1z86A16 LEU 115 HB3 0.01 -0.21 0.01 -0.04 1.64 1.41 1z86A16 LEU 115 HG 0.04 0.05 -0.23 -0.04 1.64 1.46 1z86A16 LEU 115 HD13 0.07 0.06 -0.08 -0.04 0.93 0.93 1z86A16 LEU 115 HD23 -0.02 0.04 -0.11 -0.04 0.89 0.76 1z86A16 ALA 116 H 0.01 0.04 0.10 -0.55 8.40 8.01 1z86A16 ALA 116 HA 0.01 0.18 0.31 -0.75 4.34 4.09 1z86A16 ALA 116 HB3 0.00 0.01 0.00 -0.04 1.41 1.38 1z86A16 ALA 117 H 0.03 -0.04 -0.50 -0.55 8.40 7.35 1z86A16 ALA 117 HA 0.02 0.09 0.35 -0.75 4.34 4.05 1z86A16 ALA 117 HB3 0.08 -0.06 0.11 -0.04 1.41 1.50 1z86A16 ASP 118 H 0.08 0.20 0.04 -0.55 8.40 8.18 1z86A16 ASP 118 HA 0.15 0.10 0.53 -0.75 4.63 4.65 1z86A16 ASP 118 HB2 0.09 0.26 0.22 -0.04 2.71 3.24 1z86A16 ASP 118 HB3 0.06 -0.16 0.11 -0.04 2.70 2.67 1z86A16 GLN 119 H 0.05 0.16 -0.70 -0.55 8.47 7.43 1z86A16 GLN 119 HA 0.03 0.08 0.43 -0.75 4.36 4.15 1z86A16 GLN 119 HB2 0.03 0.09 -0.18 -0.04 2.15 2.05 1z86A16 GLN 119 HB3 0.02 0.06 -0.01 -0.04 2.02 2.05 1z86A16 GLN 119 HG2 0.02 0.05 0.02 -0.04 2.40 2.44 1z86A16 GLN 119 HG3 0.02 -0.01 -0.07 -0.04 2.39 2.28 1z86A16 GLN 119 HE21 0.01 0.03 -0.06 -0.04 6.97 6.91 1z86A16 GLN 119 HE22 0.01 -0.04 -0.04 -0.04 7.69 7.58 1z86A16 THR 120 H 0.02 0.42 -0.16 -0.55 8.28 8.02 1z86A16 THR 120 HA 0.00 0.14 0.55 -0.75 4.39 4.33 1z86A16 THR 120 HB -0.03 0.00 0.05 -0.04 4.32 4.30 1z86A16 THR 120 HG23 -0.01 0.05 0.04 -0.04 1.22 1.26 1z86A16 GLU 121 H 0.07 0.12 -0.51 -0.55 8.60 7.73 1z86A16 GLU 121 HA 0.32 -0.02 0.25 -0.75 4.29 4.09 1z86A16 GLU 121 HB2 0.08 0.08 -0.25 -0.04 2.09 1.96 1z86A16 GLU 121 HB3 0.09 0.09 0.04 -0.04 1.99 2.17 1z86A16 GLU 121 HG2 0.09 -0.01 0.03 -0.04 2.34 2.41 1z86A16 GLU 121 HG3 0.30 -0.05 0.11 -0.04 2.34 2.66 1z86A16 ALA 122 H -0.12 0.05 -0.62 -0.55 8.40 7.15 1z86A16 ALA 122 HA -0.36 0.19 0.75 -0.75 4.34 4.17 1z86A16 ALA 122 HB3 -0.12 0.02 0.04 -0.04 1.41 1.30 1z86A16 LEU 123 H -0.91 0.15 -0.25 -0.55 8.37 6.81 1z86A16 LEU 123 HA -0.43 0.08 0.48 -0.75 4.35 3.73 1z86A16 LEU 123 HB2 -0.11 -0.03 -0.02 -0.04 1.64 1.43 1z86A16 LEU 123 HB3 -0.16 0.17 -0.22 -0.04 1.64 1.39 1z86A16 LEU 123 HG -0.08 0.02 0.09 -0.04 1.64 1.63 1z86A16 LEU 123 HD13 0.02 -0.03 -0.11 -0.04 0.93 0.76 1z86A16 LEU 123 HD23 -0.04 0.06 -0.03 -0.04 0.89 0.83 1z86A16 PHE 124 H -0.43 0.21 0.03 -0.55 8.34 7.59 1z86A16 PHE 124 HA -0.02 0.17 0.86 -0.75 4.62 4.88 1z86A16 PHE 124 HB2 -0.13 0.11 -0.05 -0.04 3.15 3.03 1z86A16 PHE 124 HB3 -0.03 -0.03 0.10 -0.04 3.06 3.06 1z86A16 PHE 124 HD2 -0.14 0.11 -0.17 -0.04 7.28 7.03 1z86A16 PHE 124 HE2 -0.07 0.03 -0.11 -0.04 7.38 7.19 1z86A16 PHE 124 HZ -0.05 0.25 -0.13 -0.04 7.32 7.35 1z86A16 VAL 125 H 0.18 0.12 0.10 -0.55 8.24 8.10 1z86A16 VAL 125 HA 0.11 -0.04 0.27 -0.75 4.13 3.72 1z86A16 VAL 125 HB 0.10 0.04 0.02 -0.04 2.12 2.25 1z86A16 VAL 125 HG13 0.07 0.09 -0.07 -0.04 0.97 1.01 1z86A16 VAL 125 HG23 0.07 -0.00 -0.05 -0.04 0.95 0.92 1z86A16 GLY 126 H 0.11 0.38 0.23 -0.55 8.43 8.60 1z86A16 GLY 126 HA2 0.09 0.09 0.31 -0.51 4.01 3.98 1z86A16 GLY 126 HA3 0.19 0.09 0.72 -0.51 4.01 4.50 1z86A16 ASP 127 H 0.14 0.10 -0.03 -0.55 8.40 8.06 1z86A16 ASP 127 HA 0.20 0.11 0.50 -0.75 4.63 4.68 1z86A16 ASP 127 HB2 0.05 -0.05 0.04 -0.04 2.71 2.71 1z86A16 ASP 127 HB3 0.04 -0.03 -0.16 -0.04 2.70 2.51 1z86A16 ALA 128 H 0.07 0.38 0.04 -0.55 8.40 8.35 1z86A16 ALA 128 HA 0.04 0.28 0.96 -0.75 4.34 4.87 1z86A16 ALA 128 HB3 0.03 0.08 0.13 -0.04 1.41 1.60 1z86A16 ILE 129 H 0.04 0.37 0.07 -0.55 8.25 8.19 1z86A16 ILE 129 HA 0.02 0.15 0.64 -0.75 4.18 4.23 1z86A16 ILE 129 HB 0.03 -0.07 -0.05 -0.04 1.89 1.75 1z86A16 ILE 129 HG12 0.01 0.02 -0.21 -0.04 1.49 1.27 1z86A16 ILE 129 HG13 0.03 -0.08 -0.27 -0.04 1.21 0.85 1z86A16 ILE 129 HG23 0.01 -0.02 -0.20 -0.04 0.93 0.68 1z86A16 ILE 129 HD13 0.05 -0.02 -0.38 -0.04 0.88 0.49 1z86A16 LEU 130 H 0.01 0.52 0.44 -0.55 8.37 8.80 1z86A16 LEU 130 HA 0.01 0.12 0.88 -0.75 4.35 4.61 1z86A16 LEU 130 HB2 0.01 0.05 0.02 -0.04 1.64 1.68 1z86A16 LEU 130 HB3 0.01 -0.08 0.08 -0.04 1.64 1.61 1z86A16 LEU 130 HG 0.02 0.04 -0.40 -0.04 1.64 1.25 1z86A16 LEU 130 HD13 0.01 0.01 -0.05 -0.04 0.93 0.86 1z86A16 LEU 130 HD23 0.01 -0.01 -0.03 -0.04 0.89 0.82 1z86A16 SER 131 H 0.00 0.51 0.30 -0.55 8.46 8.73 1z86A16 SER 131 HA -0.00 0.25 0.73 -0.75 4.49 4.72 1z86A16 SER 131 HB2 0.00 0.00 -0.10 -0.04 3.95 3.81 1z86A16 SER 131 HB3 -0.00 -0.10 -0.09 -0.04 3.93 3.70 1z86A16 VAL 132 H -0.01 0.41 0.26 -0.55 8.24 8.35 1z86A16 VAL 132 HA -0.01 0.23 1.01 -0.75 4.13 4.61 1z86A16 VAL 132 HB -0.01 0.05 -0.01 -0.04 2.12 2.11 1z86A16 VAL 132 HG13 -0.02 0.02 -0.19 -0.04 0.97 0.74 1z86A16 VAL 132 HG23 -0.01 0.02 -0.28 -0.04 0.95 0.64 1z86A16 ASN 133 H -0.01 0.84 0.29 -0.55 8.53 9.10 1z86A16 ASN 133 HA -0.01 -0.05 0.37 -0.75 4.76 4.31 1z86A16 ASN 133 HB2 -0.01 0.05 0.20 -0.04 2.88 3.07 1z86A16 ASN 133 HB3 -0.01 -0.05 0.02 -0.04 2.79 2.71 1z86A16 ASN 133 HD21 -0.01 -0.02 -0.11 -0.04 7.03 6.85 1z86A16 ASN 133 HD22 -0.01 -0.05 0.03 -0.04 7.74 7.67 1z86A16 GLY 134 H -0.01 -0.07 -0.61 -0.55 8.43 7.20 1z86A16 GLY 134 HA2 -0.00 -0.05 0.19 -0.51 4.01 3.64 1z86A16 GLY 134 HA3 -0.00 0.17 0.61 -0.51 4.01 4.27 1z86A16 GLU 135 H -0.01 -0.09 -0.07 -0.55 8.60 7.89 1z86A16 GLU 135 HA -0.00 0.17 0.89 -0.75 4.29 4.60 1z86A16 GLU 135 HB2 -0.01 0.32 -0.02 -0.04 2.09 2.34 1z86A16 GLU 135 HB3 -0.01 -0.08 -0.05 -0.04 1.99 1.81 1z86A16 GLU 135 HG2 -0.01 0.03 0.07 -0.04 2.34 2.39 1z86A16 GLU 135 HG3 -0.01 0.06 -0.09 -0.04 2.34 2.26 1z86A16 ASP 136 H -0.00 0.22 0.06 -0.55 8.40 8.13 1z86A16 ASP 136 HA 0.00 0.13 0.57 -0.75 4.63 4.58 1z86A16 ASP 136 HB2 0.00 0.04 0.19 -0.04 2.71 2.89 1z86A16 ASP 136 HB3 0.00 -0.04 0.08 -0.04 2.70 2.70 1z86A16 LEU 137 H 0.00 0.51 0.28 -0.55 8.37 8.62 1z86A16 LEU 137 HA 0.00 0.11 0.35 -0.75 4.35 4.06 1z86A16 LEU 137 HB2 0.00 -0.01 -0.28 -0.04 1.64 1.31 1z86A16 LEU 137 HB3 0.01 0.07 -0.14 -0.04 1.64 1.54 1z86A16 LEU 137 HG 0.00 0.00 -0.01 -0.04 1.64 1.60 1z86A16 LEU 137 HD13 -0.01 0.02 -0.17 -0.04 0.93 0.73 1z86A16 LEU 137 HD23 -0.00 -0.01 -0.15 -0.04 0.89 0.69 1z86A16 SER 138 H 0.01 0.18 -0.24 -0.55 8.46 7.86 1z86A16 SER 138 HA 0.01 0.04 0.35 -0.75 4.49 4.13 1z86A16 SER 138 HB2 0.01 0.03 0.04 -0.04 3.95 3.99 1z86A16 SER 138 HB3 0.01 0.03 0.11 -0.04 3.93 4.04 1z86A16 SER 139 H 0.01 0.24 -0.78 -0.55 8.46 7.38 1z86A16 SER 139 HA 0.01 0.15 0.79 -0.75 4.49 4.68 1z86A16 SER 139 HB2 0.00 0.06 0.10 -0.04 3.95 4.07 1z86A16 SER 139 HB3 0.00 -0.01 0.12 -0.04 3.93 4.00 1z86A16 ALA 140 H 0.01 0.36 -0.36 -0.55 8.40 7.87 1z86A16 ALA 140 HA 0.01 0.06 0.61 -0.75 4.34 4.26 1z86A16 ALA 140 HB3 -0.00 0.01 -0.09 -0.04 1.41 1.29 1z86A16 THR 141 H 0.01 0.20 0.05 -0.55 8.28 8.00 1z86A16 THR 141 HA 0.04 -0.07 0.38 -0.75 4.39 3.98 1z86A16 THR 141 HB 0.04 -0.07 0.11 -0.04 4.32 4.36 1z86A16 THR 141 HG23 0.02 0.04 0.10 -0.04 1.22 1.34 1z86A16 HIS 142 H 0.13 0.20 0.17 -0.55 8.41 8.37 1z86A16 HIS 142 HA 0.01 0.10 0.38 -0.75 4.63 4.36 1z86A16 HIS 142 HB2 0.01 0.37 0.27 -0.04 3.26 3.87 1z86A16 HIS 142 HB3 0.01 0.03 0.07 -0.04 3.20 3.26 1z86A16 HIS 142 HD2 0.01 0.02 -0.10 -0.04 6.97 6.85 1z86A16 HIS 142 HE1 0.01 0.17 0.02 -0.04 7.75 7.91 1z86A16 ASP 143 H 0.05 0.02 -0.56 -0.55 8.40 7.36 1z86A16 ASP 143 HA -0.05 0.15 0.51 -0.75 4.63 4.48 1z86A16 ASP 143 HB2 0.01 -0.03 -0.00 -0.04 2.71 2.65 1z86A16 ASP 143 HB3 -0.00 0.09 0.01 -0.04 2.70 2.75 1z86A16 GLU 144 H -0.01 0.45 -0.29 -0.55 8.60 8.20 1z86A16 GLU 144 HA -0.02 0.14 0.53 -0.75 4.29 4.18 1z86A16 GLU 144 HB2 -0.01 0.03 -0.18 -0.04 2.09 1.89 1z86A16 GLU 144 HB3 -0.01 0.08 -0.01 -0.04 1.99 2.01 1z86A16 GLU 144 HG2 -0.01 -0.02 -0.10 -0.04 2.34 2.17 1z86A16 GLU 144 HG3 0.00 -0.13 0.01 -0.04 2.34 2.17 1z86A16 ALA 145 H -0.07 0.29 -0.32 -0.55 8.40 7.76 1z86A16 ALA 145 HA -0.05 0.14 0.49 -0.75 4.34 4.18 1z86A16 ALA 145 HB3 -0.08 0.02 0.01 -0.04 1.41 1.32 1z86A16 VAL 146 H -0.21 0.55 -0.07 -0.55 8.24 7.96 1z86A16 VAL 146 HA -0.13 0.07 0.44 -0.75 4.13 3.76 1z86A16 VAL 146 HB -0.14 0.03 0.10 -0.04 2.12 2.07 1z86A16 VAL 146 HG13 -0.07 -0.01 0.03 -0.04 0.97 0.88 1z86A16 VAL 146 HG23 -0.49 -0.04 0.05 -0.04 0.95 0.43 1z86A16 GLN 147 H -0.07 0.19 -0.57 -0.55 8.47 7.48 1z86A16 GLN 147 HA -0.04 0.08 0.48 -0.75 4.36 4.13 1z86A16 GLN 147 HB2 -0.03 0.04 0.20 -0.04 2.15 2.32 1z86A16 GLN 147 HB3 -0.02 -0.02 -0.02 -0.04 2.02 1.92 1z86A16 GLN 147 HG2 -0.03 -0.10 0.00 -0.04 2.40 2.24 1z86A16 GLN 147 HG3 -0.02 -0.01 0.02 -0.04 2.39 2.34 1z86A16 GLN 147 HE21 -0.02 -0.02 -0.03 -0.04 6.97 6.87 1z86A16 GLN 147 HE22 -0.01 0.00 -0.02 -0.04 7.69 7.62 1z86A16 ALA 148 H -0.05 0.17 -0.61 -0.55 8.40 7.36 1z86A16 ALA 148 HA -0.02 0.09 0.37 -0.75 4.34 4.03 1z86A16 ALA 148 HB3 -0.03 -0.00 0.06 -0.04 1.41 1.40 1z86A16 LEU 149 H -0.05 0.28 -0.41 -0.55 8.37 7.65 1z86A16 LEU 149 HA -0.03 0.13 0.53 -0.75 4.35 4.23 1z86A16 LEU 149 HB2 -0.05 0.05 0.04 -0.04 1.64 1.64 1z86A16 LEU 149 HB3 -0.03 -0.04 0.02 -0.04 1.64 1.54 1z86A16 LEU 149 HG -0.04 0.07 -0.08 -0.04 1.64 1.55 1z86A16 LEU 149 HD13 -0.04 -0.04 -0.14 -0.04 0.93 0.67 1z86A16 LEU 149 HD23 -0.02 -0.02 -0.09 -0.04 0.89 0.72 1z86A16 LYS 150 H -0.04 0.17 -0.44 -0.55 8.42 7.56 1z86A16 LYS 150 HA -0.03 0.12 0.61 -0.75 4.32 4.27 1z86A16 LYS 150 HB2 -0.04 0.19 0.21 -0.04 1.87 2.19 1z86A16 LYS 150 HB3 -0.03 -0.04 -0.01 -0.04 1.79 1.68 1z86A16 LYS 150 HG2 -0.03 -0.04 0.05 -0.04 1.46 1.40 1z86A16 LYS 150 HG3 -0.04 -0.01 -0.00 -0.04 1.46 1.36 1z86A16 LYS 150 HD2 -0.04 -0.03 -0.01 -0.04 1.69 1.57 1z86A16 LYS 150 HD3 -0.03 -0.02 -0.07 -0.04 1.68 1.51 1z86A16 LYS 150 HE2 -0.03 0.01 0.01 -0.04 2.99 2.94 1z86A16 LYS 150 HE3 -0.03 -0.04 -0.01 -0.04 2.99 2.87 1z86A16 LYS 151 H -0.02 0.24 -0.48 -0.55 8.42 7.59 1z86A16 LYS 151 HA -0.02 0.14 0.78 -0.75 4.32 4.47 1z86A16 LYS 151 HB2 -0.02 0.26 0.13 -0.04 1.87 2.20 1z86A16 LYS 151 HB3 -0.01 -0.07 0.20 -0.04 1.79 1.87 1z86A16 LYS 151 HG2 -0.02 0.02 -0.13 -0.04 1.46 1.29 1z86A16 LYS 151 HG3 -0.02 -0.02 -0.02 -0.04 1.46 1.36 1z86A16 LYS 151 HD2 -0.01 -0.04 -0.00 -0.04 1.69 1.59 1z86A16 LYS 151 HD3 -0.01 -0.00 0.05 -0.04 1.68 1.67 1z86A16 LYS 151 HE2 -0.01 0.01 -0.02 -0.04 2.99 2.93 1z86A16 LYS 151 HE3 -0.01 -0.04 -0.01 -0.04 2.99 2.89 1z86A16 THR 152 H -0.02 0.22 -0.76 -0.55 8.28 7.17 1z86A16 THR 152 HA -0.01 0.11 0.80 -0.75 4.39 4.53 1z86A16 THR 152 HB -0.02 -0.02 0.10 -0.04 4.32 4.34 1z86A16 THR 152 HG23 -0.01 -0.03 -0.10 -0.04 1.22 1.03 1z86A16 GLY 153 H -0.01 0.11 -0.04 -0.55 8.43 7.94 1z86A16 GLY 153 HA2 -0.01 0.18 0.63 -0.51 4.01 4.30 1z86A16 GLY 153 HA3 -0.01 -0.02 0.26 -0.51 4.01 3.73 1z86A16 LYS 154 H -0.01 0.07 0.12 -0.55 8.42 8.04 1z86A16 LYS 154 HA -0.01 -0.08 0.37 -0.75 4.32 3.85 1z86A16 LYS 154 HB2 -0.01 0.30 0.12 -0.04 1.87 2.24 1z86A16 LYS 154 HB3 -0.01 -0.05 0.19 -0.04 1.79 1.89 1z86A16 LYS 154 HG2 -0.01 -0.05 -0.04 -0.04 1.46 1.32 1z86A16 LYS 154 HG3 -0.01 0.05 -0.21 -0.04 1.46 1.25 1z86A16 LYS 154 HD2 -0.01 0.02 -0.02 -0.04 1.69 1.64 1z86A16 LYS 154 HD3 -0.01 -0.01 0.02 -0.04 1.68 1.65 1z86A16 LYS 154 HE2 -0.01 0.01 -0.01 -0.04 2.99 2.94 1z86A16 LYS 154 HE3 -0.00 0.02 -0.01 -0.04 2.99 2.95 1z86A16 GLU 155 H -0.01 0.07 0.20 -0.55 8.60 8.32 1z86A16 GLU 155 HA -0.01 0.07 0.41 -0.75 4.29 4.01 1z86A16 GLU 155 HB2 -0.01 -0.04 -0.06 -0.04 2.09 1.93 1z86A16 GLU 155 HB3 -0.01 -0.02 0.06 -0.04 1.99 1.98 1z86A16 GLU 155 HG2 -0.01 -0.01 0.06 -0.04 2.34 2.35 1z86A16 GLU 155 HG3 -0.01 0.07 0.20 -0.04 2.34 2.55 1z86A16 VAL 156 H -0.01 0.26 0.19 -0.55 8.24 8.12 1z86A16 VAL 156 HA -0.01 0.16 0.85 -0.75 4.13 4.37 1z86A16 VAL 156 HB -0.02 -0.10 0.20 -0.04 2.12 2.17 1z86A16 VAL 156 HG13 -0.02 -0.01 -0.11 -0.04 0.97 0.79 1z86A16 VAL 156 HG23 -0.01 0.15 -0.41 -0.04 0.95 0.63 1z86A16 VAL 157 H -0.01 0.23 0.05 -0.55 8.24 7.95 1z86A16 VAL 157 HA -0.02 0.14 0.44 -0.75 4.13 3.94 1z86A16 VAL 157 HB -0.01 -0.15 0.20 -0.04 2.12 2.12 1z86A16 VAL 157 HG13 -0.01 0.02 -0.22 -0.04 0.97 0.72 1z86A16 VAL 157 HG23 -0.01 0.02 -0.09 -0.04 0.95 0.83 1z86A16 LEU 158 H -0.02 0.72 0.11 -0.55 8.37 8.63 1z86A16 LEU 158 HA -0.01 0.09 0.78 -0.75 4.35 4.46 1z86A16 LEU 158 HB2 -0.03 0.00 0.27 -0.04 1.64 1.85 1z86A16 LEU 158 HB3 -0.02 -0.02 -0.00 -0.04 1.64 1.57 1z86A16 LEU 158 HG -0.02 -0.07 -0.20 -0.04 1.64 1.31 1z86A16 LEU 158 HD13 -0.02 0.05 0.10 -0.04 0.93 1.02 1z86A16 LEU 158 HD23 -0.02 -0.01 -0.07 -0.04 0.89 0.75 1z86A16 GLU 159 H -0.01 0.52 0.36 -0.55 8.60 8.93 1z86A16 GLU 159 HA -0.01 0.24 0.78 -0.75 4.29 4.55 1z86A16 GLU 159 HB2 -0.00 -0.19 0.25 -0.04 2.09 2.12 1z86A16 GLU 159 HB3 -0.00 0.05 -0.02 -0.04 1.99 1.97 1z86A16 GLU 159 HG2 -0.01 -0.04 -0.19 -0.04 2.34 2.05 1z86A16 GLU 159 HG3 -0.00 -0.22 -0.38 -0.04 2.34 1.69 1z86A16 VAL 160 H -0.01 0.68 0.48 -0.55 8.24 8.84 1z86A16 VAL 160 HA 0.02 0.22 0.92 -0.75 4.13 4.53 1z86A16 VAL 160 HB 0.03 -0.18 -0.32 -0.04 2.12 1.60 1z86A16 VAL 160 HG13 -0.00 0.03 -0.37 -0.04 0.97 0.59 1z86A16 VAL 160 HG23 -0.02 0.02 -0.09 -0.04 0.95 0.82 1z86A16 LYS 161 H 0.04 0.28 0.15 -0.55 8.42 8.34 1z86A16 LYS 161 HA 0.05 0.22 0.99 -0.75 4.32 4.83 1z86A16 LYS 161 HB2 0.03 0.07 0.17 -0.04 1.87 2.09 1z86A16 LYS 161 HB3 0.03 0.02 0.08 -0.04 1.79 1.87 1z86A16 LYS 161 HG2 0.02 0.22 0.06 -0.04 1.46 1.72 1z86A16 LYS 161 HG3 0.02 -0.08 -0.09 -0.04 1.46 1.27 1z86A16 LYS 161 HD2 0.01 -0.04 -0.00 -0.04 1.69 1.61 1z86A16 LYS 161 HD3 0.01 0.04 -0.01 -0.04 1.68 1.68 1z86A16 LYS 161 HE2 0.01 0.08 -0.01 -0.04 2.99 3.03 1z86A16 LYS 161 HE3 0.01 -0.08 -0.05 -0.04 2.99 2.83 1z86A16 TYR 162 H 0.15 0.25 0.02 -0.55 8.29 8.16 1z86A16 TYR 162 HA 0.01 -0.01 0.50 -0.75 4.56 4.31 1z86A16 TYR 162 HB2 -0.01 -0.01 0.04 -0.04 3.06 3.03 1z86A16 TYR 162 HB3 0.00 0.08 0.13 -0.04 2.98 3.16 1z86A16 TYR 162 HD2 0.03 0.01 -0.17 -0.04 7.15 6.98 1z86A16 TYR 162 HE2 0.08 0.12 -0.05 -0.04 6.85 6.95 1z86A16 MET 163 H -0.07 0.33 0.34 -0.55 8.47 8.51 1z86A16 MET 163 HA -0.15 0.19 0.88 -0.75 4.52 4.69 1z86A16 MET 163 HB2 -0.04 0.03 0.13 -0.04 2.15 2.23 1z86A16 MET 163 HB3 -0.07 0.04 0.14 -0.04 2.03 2.10 1z86A16 MET 163 HG2 -0.03 -0.03 0.04 -0.04 2.63 2.57 1z86A16 MET 163 HG3 -0.04 0.04 -0.01 -0.04 2.56 2.51 1z86A16 MET 163 HE3 0.00 -0.01 -0.05 -0.04 2.10 2.00 1z86A16 LYS 164 H -0.75 -0.05 -0.05 -0.55 8.42 7.02 1z86A16 LYS 164 HA -0.39 -0.07 0.37 -0.75 4.32 3.47 1z86A16 LYS 164 HB2 -0.35 -0.02 -0.45 -0.04 1.87 1.00 1z86A16 LYS 164 HB3 -0.15 0.10 0.08 -0.04 1.79 1.78 1z86A16 LYS 164 HG2 -0.06 0.06 -0.03 -0.04 1.46 1.38 1z86A16 LYS 164 HG3 -0.12 -0.07 0.04 -0.04 1.46 1.27 1z86A16 LYS 164 HD2 0.05 -0.03 -0.04 -0.04 1.69 1.63 1z86A16 LYS 164 HD3 -0.20 0.01 -0.11 -0.04 1.68 1.33 1z86A16 LYS 164 HE2 -0.05 0.04 -0.04 -0.04 2.99 2.90 1z86A16 LYS 164 HE3 0.01 -0.03 -0.03 -0.04 2.99 2.90 1z86A16 GLU 165 H -0.01 0.07 0.04 -0.55 8.60 8.15 1z86A16 GLU 165 HA -0.01 0.17 0.30 -0.75 4.29 4.00 1z86A16 GLU 165 HB2 0.04 -0.02 0.07 -0.04 2.09 2.14 1z86A16 GLU 165 HB3 0.01 0.04 0.06 -0.04 1.99 2.05 1z86A16 GLU 165 HG2 0.02 0.07 -0.01 -0.04 2.34 2.39 1z86A16 GLU 165 HG3 0.06 -0.07 -0.07 -0.04 2.34 2.22