============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. HIS 15 0.900 -2.180 16.959 3.306 -99.200 -91.000 PHE 16 1.000 -1.769 18.182 -5.385 -99.200 -91.000 HIS 17 0.900 -6.079 12.355 -1.728 -99.200 -91.000 PHE 19 1.000 -3.853 2.609 -7.777 -99.200 -91.000 PHE 36 1.000 6.258 5.220 -2.890 -99.200 -91.000 PHE 39 1.000 10.290 9.255 -4.350 -99.200 -91.000 TYR 59 0.840 -5.470 -2.583 -4.698 -99.200 -91.000 PHE 61 1.000 -5.687 3.650 -2.815 -99.200 -91.000 PHE 64 1.000 4.646 11.882 -1.890 -99.200 -91.000 TYR 65 0.840 2.104 17.121 5.123 -99.200 -91.000 HIS 76 0.900 13.500 10.013 -8.776 -99.200 -91.000 TRP 81 1.040 13.514 -3.152 -10.864 -99.200 -91.000 TRP6 81 1.020 12.495 -5.263 -11.140 -99.200 -91.000 TRP 91 1.040 -0.655 12.609 -11.075 -99.200 -91.000 TRP6 91 1.020 0.057 13.607 -9.059 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2dh7A17 GLY 82 HA2 0.01 -0.06 0.18 -0.51 4.01 3.63 2dh7A17 GLY 82 HA3 0.01 -0.02 0.10 -0.51 4.01 3.59 2dh7A17 SER 83 H 0.02 0.11 0.07 -0.55 8.46 8.11 2dh7A17 SER 83 HA 0.02 0.19 0.93 -0.75 4.49 4.89 2dh7A17 SER 83 HB2 0.02 -0.03 0.16 -0.04 3.95 4.06 2dh7A17 SER 83 HB3 0.03 0.00 0.00 -0.04 3.93 3.93 2dh7A17 SER 84 H 0.02 0.31 0.17 -0.55 8.46 8.41 2dh7A17 SER 84 HA 0.01 0.10 0.83 -0.75 4.49 4.68 2dh7A17 SER 84 HB2 0.01 0.06 -0.03 -0.04 3.95 3.95 2dh7A17 SER 84 HB3 0.01 -0.02 0.03 -0.04 3.93 3.91 2dh7A17 GLY 85 H 0.01 0.09 0.07 -0.55 8.43 8.05 2dh7A17 GLY 85 HA2 0.01 0.20 0.72 -0.51 4.01 4.43 2dh7A17 GLY 85 HA3 0.01 -0.04 0.38 -0.51 4.01 3.85 2dh7A17 SER 86 H 0.00 0.09 0.14 -0.55 8.46 8.15 2dh7A17 SER 86 HA 0.00 0.00 0.31 -0.75 4.49 4.05 2dh7A17 SER 86 HB2 0.00 -0.09 -0.25 -0.04 3.95 3.57 2dh7A17 SER 86 HB3 0.00 0.22 0.29 -0.04 3.93 4.40 2dh7A17 SER 87 H 0.00 -0.06 -0.03 -0.55 8.46 7.82 2dh7A17 SER 87 HA -0.00 0.26 0.79 -0.75 4.49 4.79 2dh7A17 SER 87 HB2 0.00 0.11 -0.06 -0.04 3.95 3.96 2dh7A17 SER 87 HB3 -0.00 -0.05 0.04 -0.04 3.93 3.88 2dh7A17 GLY 88 H -0.00 0.02 0.02 -0.55 8.43 7.92 2dh7A17 GLY 88 HA2 -0.00 0.01 0.29 -0.51 4.01 3.79 2dh7A17 GLY 88 HA3 -0.00 0.22 0.92 -0.51 4.01 4.64 2dh7A17 GLN 89 H -0.01 0.20 -0.08 -0.55 8.47 8.04 2dh7A17 GLN 89 HA -0.01 0.02 0.32 -0.75 4.36 3.94 2dh7A17 GLN 89 HB2 -0.01 0.07 0.09 -0.04 2.15 2.26 2dh7A17 GLN 89 HB3 -0.01 0.01 -0.02 -0.04 2.02 1.95 2dh7A17 GLN 89 HG2 -0.02 -0.08 -0.09 -0.04 2.40 2.18 2dh7A17 GLN 89 HG3 -0.02 -0.01 0.05 -0.04 2.39 2.37 2dh7A17 GLN 89 HE21 -0.02 0.00 -0.02 -0.04 6.97 6.89 2dh7A17 GLN 89 HE22 -0.01 0.03 -0.01 -0.04 7.69 7.65 2dh7A17 LYS 90 H -0.02 0.14 0.09 -0.55 8.42 8.08 2dh7A17 LYS 90 HA -0.01 0.21 0.78 -0.75 4.32 4.54 2dh7A17 LYS 90 HB2 -0.02 -0.01 0.16 -0.04 1.87 1.96 2dh7A17 LYS 90 HB3 -0.02 -0.02 0.22 -0.04 1.79 1.92 2dh7A17 LYS 90 HG2 -0.01 0.02 0.02 -0.04 1.46 1.44 2dh7A17 LYS 90 HG3 -0.01 0.06 -0.05 -0.04 1.46 1.42 2dh7A17 LYS 90 HD2 -0.02 -0.00 0.01 -0.04 1.69 1.64 2dh7A17 LYS 90 HD3 -0.02 -0.02 0.04 -0.04 1.68 1.64 2dh7A17 LYS 90 HE2 -0.01 -0.02 0.01 -0.04 2.99 2.93 2dh7A17 LYS 90 HE3 -0.01 0.04 -0.00 -0.04 2.99 2.97 2dh7A17 LYS 91 H -0.02 0.22 -0.66 -0.55 8.42 7.41 2dh7A17 LYS 91 HA -0.03 0.19 0.84 -0.75 4.32 4.57 2dh7A17 LYS 91 HB2 -0.02 -0.04 -0.10 -0.04 1.87 1.66 2dh7A17 LYS 91 HB3 -0.02 0.02 0.08 -0.04 1.79 1.83 2dh7A17 LYS 91 HG2 -0.03 0.00 -0.08 -0.04 1.46 1.32 2dh7A17 LYS 91 HG3 -0.03 -0.01 -0.31 -0.04 1.46 1.07 2dh7A17 LYS 91 HD2 -0.03 0.09 -0.09 -0.04 1.69 1.62 2dh7A17 LYS 91 HD3 -0.03 0.03 -0.04 -0.04 1.68 1.59 2dh7A17 LYS 91 HE2 -0.03 -0.01 -0.05 -0.04 2.99 2.87 2dh7A17 LYS 91 HE3 -0.03 0.03 -0.04 -0.04 2.99 2.91 2dh7A17 ASP 92 H -0.01 0.19 -0.13 -0.55 8.40 7.89 2dh7A17 ASP 92 HA -0.01 0.20 0.67 -0.75 4.63 4.73 2dh7A17 ASP 92 HB2 0.02 0.03 -0.08 -0.04 2.71 2.65 2dh7A17 ASP 92 HB3 0.01 0.03 -0.03 -0.04 2.70 2.67 2dh7A17 THR 93 H 0.02 0.08 -0.02 -0.55 8.28 7.81 2dh7A17 THR 93 HA -0.08 0.08 0.68 -0.75 4.39 4.32 2dh7A17 THR 93 HB 0.21 0.09 -0.14 -0.04 4.32 4.43 2dh7A17 THR 93 HG23 0.15 0.00 -0.16 -0.04 1.22 1.17 2dh7A17 SER 94 H -0.24 0.16 0.06 -0.55 8.46 7.90 2dh7A17 SER 94 HA -0.02 0.21 0.75 -0.75 4.49 4.67 2dh7A17 SER 94 HB2 -0.08 0.05 -0.12 -0.04 3.95 3.76 2dh7A17 SER 94 HB3 -0.13 -0.07 0.08 -0.04 3.93 3.77 2dh7A17 ASN 95 H -0.30 -0.02 0.15 -0.55 8.53 7.81 2dh7A17 ASN 95 HA -0.20 0.19 0.68 -0.75 4.76 4.68 2dh7A17 ASN 95 HB2 -0.13 -0.00 0.07 -0.04 2.88 2.78 2dh7A17 ASN 95 HB3 -0.19 -0.05 0.13 -0.04 2.79 2.63 2dh7A17 ASN 95 HD21 -0.02 -0.01 0.01 -0.04 7.03 6.96 2dh7A17 ASN 95 HD22 -0.00 -0.01 -0.01 -0.04 7.74 7.67 2dh7A17 HIS 96 H -0.51 -0.14 0.02 -0.55 8.41 7.23 2dh7A17 HIS 96 HA -0.06 0.16 0.33 -0.75 4.63 4.31 2dh7A17 HIS 96 HB2 -0.16 -0.10 -0.16 -0.04 3.26 2.80 2dh7A17 HIS 96 HB3 -0.10 0.13 -0.12 -0.04 3.20 3.07 2dh7A17 HIS 96 HD2 -0.04 0.18 0.12 -0.04 6.97 7.18 2dh7A17 HIS 96 HE1 -0.29 0.06 -0.03 -0.04 7.75 7.45 2dh7A17 PHE 97 H 0.36 0.44 0.18 -0.55 8.34 8.77 2dh7A17 PHE 97 HA -0.09 0.18 0.74 -0.75 4.62 4.70 2dh7A17 PHE 97 HB2 0.29 0.04 0.12 -0.04 3.15 3.55 2dh7A17 PHE 97 HB3 0.45 0.00 -0.02 -0.04 3.06 3.45 2dh7A17 PHE 97 HD2 -0.00 0.03 -0.15 -0.04 7.28 7.12 2dh7A17 PHE 97 HE2 -0.07 -0.02 -0.04 -0.04 7.38 7.20 2dh7A17 PHE 97 HZ -0.05 -0.01 -0.02 -0.04 7.32 7.20 2dh7A17 HIS 98 H 0.08 0.21 0.17 -0.55 8.41 8.33 2dh7A17 HIS 98 HA 0.24 0.09 0.78 -0.75 4.63 4.99 2dh7A17 HIS 98 HB2 0.23 -0.10 0.13 -0.04 3.26 3.48 2dh7A17 HIS 98 HB3 0.19 0.01 -0.04 -0.04 3.20 3.31 2dh7A17 HIS 98 HD2 0.07 -0.05 0.06 -0.04 6.97 7.00 2dh7A17 HIS 98 HE1 -0.00 0.08 -0.14 -0.04 7.75 7.65 2dh7A17 VAL 99 H 0.28 0.59 0.24 -0.55 8.24 8.81 2dh7A17 VAL 99 HA 0.18 0.03 1.02 -0.75 4.13 4.60 2dh7A17 VAL 99 HB 0.16 0.20 0.23 -0.04 2.12 2.67 2dh7A17 VAL 99 HG13 -0.14 -0.01 -0.16 -0.04 0.97 0.62 2dh7A17 VAL 99 HG23 0.05 -0.00 -0.15 -0.04 0.95 0.80 2dh7A17 PHE 100 H 0.23 0.54 0.39 -0.55 8.34 8.94 2dh7A17 PHE 100 HA -0.07 0.09 0.88 -0.75 4.62 4.77 2dh7A17 PHE 100 HB2 0.12 -0.10 0.04 -0.04 3.15 3.17 2dh7A17 PHE 100 HB3 0.02 0.21 0.03 -0.04 3.06 3.28 2dh7A17 PHE 100 HD2 -0.10 -0.06 -0.25 -0.04 7.28 6.83 2dh7A17 PHE 100 HE2 -0.21 -0.06 -0.17 -0.04 7.38 6.91 2dh7A17 PHE 100 HZ -0.29 -0.04 -0.10 -0.04 7.32 6.86 2dh7A17 VAL 101 H -1.02 0.53 0.31 -0.55 8.24 7.51 2dh7A17 VAL 101 HA -0.16 0.29 1.06 -0.75 4.13 4.57 2dh7A17 VAL 101 HB -0.35 -0.16 0.03 -0.04 2.12 1.60 2dh7A17 VAL 101 HG13 -0.04 0.02 -0.06 -0.04 0.97 0.85 2dh7A17 VAL 101 HG23 -0.13 0.01 -0.24 -0.04 0.95 0.56 2dh7A17 GLY 102 H -0.06 0.28 -0.02 -0.55 8.43 8.09 2dh7A17 GLY 102 HA2 -0.09 0.17 1.09 -0.51 4.01 4.67 2dh7A17 GLY 102 HA3 0.10 0.02 0.31 -0.51 4.01 3.93 2dh7A17 ASP 103 H 0.04 0.18 0.22 -0.55 8.40 8.29 2dh7A17 ASP 103 HA -0.00 0.03 0.34 -0.75 4.63 4.25 2dh7A17 ASP 103 HB2 -0.05 0.02 -0.30 -0.04 2.71 2.34 2dh7A17 ASP 103 HB3 -0.07 0.09 0.11 -0.04 2.70 2.79 2dh7A17 LEU 104 H -0.03 0.56 -0.33 -0.55 8.37 8.03 2dh7A17 LEU 104 HA -0.03 0.09 0.52 -0.75 4.35 4.17 2dh7A17 LEU 104 HB2 -0.09 -0.14 -0.48 -0.04 1.64 0.89 2dh7A17 LEU 104 HB3 -0.07 0.03 -0.21 -0.04 1.64 1.35 2dh7A17 LEU 104 HG -0.11 0.09 -0.37 -0.04 1.64 1.20 2dh7A17 LEU 104 HD13 -0.20 -0.07 -0.22 -0.04 0.93 0.39 2dh7A17 LEU 104 HD23 -0.02 0.00 -0.13 -0.04 0.89 0.70 2dh7A17 SER 105 H -0.01 0.25 0.17 -0.55 8.46 8.32 2dh7A17 SER 105 HA 0.00 0.09 0.33 -0.75 4.49 4.16 2dh7A17 SER 105 HB2 0.03 0.02 0.25 -0.04 3.95 4.21 2dh7A17 SER 105 HB3 0.02 0.01 0.17 -0.04 3.93 4.10 2dh7A17 PRO 106 HA -0.02 0.18 0.49 -0.51 4.44 4.58 2dh7A17 PRO 106 HB2 -0.00 0.00 0.00 -0.04 2.28 2.24 2dh7A17 PRO 106 HB3 -0.00 0.10 0.10 -0.04 2.02 2.18 2dh7A17 PRO 106 HG2 0.01 -0.01 0.08 -0.04 2.03 2.07 2dh7A17 PRO 106 HG3 0.01 0.07 0.08 -0.04 2.03 2.14 2dh7A17 PRO 106 HD2 0.02 0.04 0.25 -0.04 3.68 3.95 2dh7A17 PRO 106 HD3 0.01 0.21 0.18 -0.04 3.65 4.01 2dh7A17 GLU 107 H 0.01 0.10 -0.20 -0.55 8.60 7.96 2dh7A17 GLU 107 HA 0.00 0.13 0.47 -0.75 4.29 4.14 2dh7A17 GLU 107 HB2 0.02 0.02 0.07 -0.04 2.09 2.15 2dh7A17 GLU 107 HB3 0.02 -0.02 0.03 -0.04 1.99 1.98 2dh7A17 GLU 107 HG2 0.03 -0.01 -0.27 -0.04 2.34 2.05 2dh7A17 GLU 107 HG3 0.03 0.00 -0.29 -0.04 2.34 2.04 2dh7A17 ILE 108 H -0.00 0.19 -0.76 -0.55 8.25 7.13 2dh7A17 ILE 108 HA 0.01 0.01 0.39 -0.75 4.18 3.84 2dh7A17 ILE 108 HB -0.02 0.16 -0.14 -0.04 1.89 1.84 2dh7A17 ILE 108 HG12 0.01 -0.15 -0.13 -0.04 1.49 1.18 2dh7A17 ILE 108 HG13 0.00 -0.05 -0.07 -0.04 1.21 1.06 2dh7A17 ILE 108 HG23 0.01 -0.04 -0.13 -0.04 0.93 0.73 2dh7A17 ILE 108 HD13 0.05 0.01 -0.05 -0.04 0.88 0.85 2dh7A17 THR 109 H 0.00 0.12 0.16 -0.55 8.28 8.01 2dh7A17 THR 109 HA -0.02 0.28 0.83 -0.75 4.39 4.73 2dh7A17 THR 109 HB -0.01 -0.12 0.11 -0.04 4.32 4.26 2dh7A17 THR 109 HG23 -0.01 0.08 -0.24 -0.04 1.22 1.01 2dh7A17 THR 110 H -0.03 0.27 0.15 -0.55 8.28 8.13 2dh7A17 THR 110 HA -0.05 0.08 0.29 -0.75 4.39 3.95 2dh7A17 THR 110 HB -0.02 0.01 0.13 -0.04 4.32 4.41 2dh7A17 THR 110 HG23 -0.03 0.01 -0.04 -0.04 1.22 1.12 2dh7A17 GLU 111 H -0.01 0.11 -0.14 -0.55 8.60 8.02 2dh7A17 GLU 111 HA -0.00 0.12 0.37 -0.75 4.29 4.02 2dh7A17 GLU 111 HB2 -0.00 0.03 0.07 -0.04 2.09 2.15 2dh7A17 GLU 111 HB3 0.00 -0.02 0.01 -0.04 1.99 1.95 2dh7A17 GLU 111 HG2 0.00 0.04 -0.05 -0.04 2.34 2.29 2dh7A17 GLU 111 HG3 0.01 0.02 -0.23 -0.04 2.34 2.10 2dh7A17 ASP 112 H 0.01 0.05 -0.52 -0.55 8.40 7.39 2dh7A17 ASP 112 HA 0.04 0.13 0.41 -0.75 4.63 4.45 2dh7A17 ASP 112 HB2 0.02 -0.01 0.21 -0.04 2.71 2.89 2dh7A17 ASP 112 HB3 0.05 0.07 -0.05 -0.04 2.70 2.73 2dh7A17 ILE 113 H 0.02 0.51 -0.04 -0.55 8.25 8.19 2dh7A17 ILE 113 HA 0.24 0.08 0.30 -0.75 4.18 4.05 2dh7A17 ILE 113 HB -0.11 0.05 0.01 -0.04 1.89 1.80 2dh7A17 ILE 113 HG12 0.01 0.01 -0.10 -0.04 1.49 1.38 2dh7A17 ILE 113 HG13 -0.04 0.13 -0.09 -0.04 1.21 1.17 2dh7A17 ILE 113 HG23 -0.60 0.00 -0.17 -0.04 0.93 0.12 2dh7A17 ILE 113 HD13 -0.17 0.00 -0.20 -0.04 0.88 0.47 2dh7A17 LYS 114 H -0.00 0.52 -0.24 -0.55 8.42 8.14 2dh7A17 LYS 114 HA -0.00 0.04 0.35 -0.75 4.32 3.95 2dh7A17 LYS 114 HB2 0.00 0.08 0.09 -0.04 1.87 2.00 2dh7A17 LYS 114 HB3 0.00 0.00 -0.05 -0.04 1.79 1.70 2dh7A17 LYS 114 HG2 -0.04 -0.04 -0.05 -0.04 1.46 1.28 2dh7A17 LYS 114 HG3 -0.05 0.02 -0.02 -0.04 1.46 1.38 2dh7A17 LYS 114 HD2 -0.02 -0.04 -0.10 -0.04 1.69 1.50 2dh7A17 LYS 114 HD3 -0.01 0.00 -0.05 -0.04 1.68 1.58 2dh7A17 LYS 114 HE2 -0.02 -0.00 -0.11 -0.04 2.99 2.81 2dh7A17 LYS 114 HE3 -0.03 0.05 0.03 -0.04 2.99 2.99 2dh7A17 SER 115 H 0.06 0.33 -0.45 -0.55 8.46 7.84 2dh7A17 SER 115 HA 0.04 0.09 0.73 -0.75 4.49 4.59 2dh7A17 SER 115 HB2 0.02 -0.01 0.08 -0.04 3.95 3.99 2dh7A17 SER 115 HB3 0.03 0.08 0.10 -0.04 3.93 4.10 2dh7A17 ALA 116 H 0.17 0.22 -0.29 -0.55 8.40 7.96 2dh7A17 ALA 116 HA 0.02 0.14 0.72 -0.75 4.34 4.47 2dh7A17 ALA 116 HB3 0.20 -0.01 -0.01 -0.04 1.41 1.55 2dh7A17 PHE 117 H 0.35 0.23 -0.20 -0.55 8.34 8.17 2dh7A17 PHE 117 HA 0.48 0.18 0.83 -0.75 4.62 5.35 2dh7A17 PHE 117 HB2 0.11 0.14 0.02 -0.04 3.15 3.37 2dh7A17 PHE 117 HB3 0.45 -0.06 0.01 -0.04 3.06 3.42 2dh7A17 PHE 117 HD2 0.19 0.01 -0.13 -0.04 7.28 7.31 2dh7A17 PHE 117 HE2 0.01 -0.03 -0.16 -0.04 7.38 7.16 2dh7A17 PHE 117 HZ -0.01 0.02 -0.16 -0.04 7.32 7.13 2dh7A17 ALA 118 H 0.15 0.07 -0.25 -0.55 8.40 7.82 2dh7A17 ALA 118 HA 0.15 0.09 0.36 -0.75 4.34 4.18 2dh7A17 ALA 118 HB3 0.04 -0.00 0.08 -0.04 1.41 1.48 2dh7A17 PRO 119 HA -0.13 0.02 0.21 -0.51 4.44 4.03 2dh7A17 PRO 119 HB2 -0.74 0.06 -0.21 -0.04 2.28 1.35 2dh7A17 PRO 119 HB3 -0.28 0.00 0.01 -0.04 2.02 1.71 2dh7A17 PRO 119 HG2 -0.29 0.12 -0.13 -0.04 2.03 1.69 2dh7A17 PRO 119 HG3 -0.15 0.03 -0.02 -0.04 2.03 1.84 2dh7A17 PRO 119 HD2 -0.14 -0.03 -0.75 -0.04 3.68 2.73 2dh7A17 PRO 119 HD3 -0.05 0.17 -0.09 -0.04 3.65 3.63 2dh7A17 PHE 120 H -0.04 0.29 -1.14 -0.55 8.34 6.90 2dh7A17 PHE 120 HA -0.07 0.07 0.63 -0.75 4.62 4.49 2dh7A17 PHE 120 HB2 0.23 0.21 0.07 -0.04 3.15 3.62 2dh7A17 PHE 120 HB3 -0.19 0.03 0.03 -0.04 3.06 2.90 2dh7A17 PHE 120 HD2 -0.04 0.06 -0.01 -0.04 7.28 7.25 2dh7A17 PHE 120 HE2 -0.58 0.06 -0.03 -0.04 7.38 6.79 2dh7A17 PHE 120 HZ -0.19 0.01 -0.06 -0.04 7.32 7.04 2dh7A17 GLY 121 H 0.41 0.39 0.07 -0.55 8.43 8.75 2dh7A17 GLY 121 HA2 0.16 -0.00 0.37 -0.51 4.01 4.02 2dh7A17 GLY 121 HA3 0.31 -0.10 0.38 -0.51 4.01 4.09 2dh7A17 LYS 122 H 0.11 0.08 0.13 -0.55 8.42 8.19 2dh7A17 LYS 122 HA 0.07 0.04 0.42 -0.75 4.32 4.09 2dh7A17 LYS 122 HB2 -0.06 -0.00 0.17 -0.04 1.87 1.94 2dh7A17 LYS 122 HB3 -0.13 -0.08 0.06 -0.04 1.79 1.60 2dh7A17 LYS 122 HG2 -0.04 0.01 0.08 -0.04 1.46 1.46 2dh7A17 LYS 122 HG3 -0.24 -0.01 0.01 -0.04 1.46 1.17 2dh7A17 LYS 122 HD2 0.22 -0.06 -0.39 -0.04 1.69 1.41 2dh7A17 LYS 122 HD3 0.06 -0.11 0.14 -0.04 1.68 1.73 2dh7A17 LYS 122 HE2 -0.06 -0.07 -0.02 -0.04 2.99 2.80 2dh7A17 LYS 122 HE3 0.19 0.10 0.01 -0.04 2.99 3.26 2dh7A17 ILE 123 H 0.06 0.11 0.25 -0.55 8.25 8.12 2dh7A17 ILE 123 HA -0.14 0.19 0.94 -0.75 4.18 4.42 2dh7A17 ILE 123 HB -0.04 -0.03 0.06 -0.04 1.89 1.84 2dh7A17 ILE 123 HG12 -0.50 0.09 -0.06 -0.04 1.49 0.98 2dh7A17 ILE 123 HG13 -0.01 0.04 0.02 -0.04 1.21 1.21 2dh7A17 ILE 123 HG23 -0.20 0.04 -0.08 -0.04 0.93 0.65 2dh7A17 ILE 123 HD13 -0.02 -0.00 -0.05 -0.04 0.88 0.77 2dh7A17 SER 124 H -0.16 0.20 0.13 -0.55 8.46 8.08 2dh7A17 SER 124 HA 0.02 0.24 0.90 -0.75 4.49 4.90 2dh7A17 SER 124 HB2 -0.28 0.04 -0.01 -0.04 3.95 3.65 2dh7A17 SER 124 HB3 -0.91 -0.02 -0.13 -0.04 3.93 2.84 2dh7A17 ASP 125 H -0.10 0.10 0.17 -0.55 8.40 8.02 2dh7A17 ASP 125 HA -0.02 0.20 0.80 -0.75 4.63 4.85 2dh7A17 ASP 125 HB2 0.02 -0.02 -0.21 -0.04 2.71 2.45 2dh7A17 ASP 125 HB3 0.03 -0.04 -0.01 -0.04 2.70 2.64 2dh7A17 ALA 126 H -0.03 0.25 0.10 -0.55 8.40 8.17 2dh7A17 ALA 126 HA -0.05 0.37 0.78 -0.75 4.34 4.68 2dh7A17 ALA 126 HB3 -0.12 -0.01 -0.07 -0.04 1.41 1.18 2dh7A17 ARG 127 H -0.01 0.57 0.38 -0.55 8.46 8.85 2dh7A17 ARG 127 HA -0.03 0.10 0.71 -0.75 4.34 4.37 2dh7A17 ARG 127 HB2 -0.00 0.01 0.10 -0.04 1.90 1.97 2dh7A17 ARG 127 HB3 0.00 0.03 -0.23 -0.04 1.80 1.56 2dh7A17 ARG 127 HG2 0.11 -0.02 -0.01 -0.04 1.67 1.71 2dh7A17 ARG 127 HG3 0.07 -0.05 -0.38 -0.04 1.67 1.27 2dh7A17 ARG 127 HD2 0.00 0.02 -0.06 -0.04 3.22 3.14 2dh7A17 ARG 127 HD3 0.02 0.02 -0.07 -0.04 3.22 3.15 2dh7A17 VAL 128 H -0.04 0.18 0.10 -0.55 8.24 7.93 2dh7A17 VAL 128 HA -0.13 0.17 1.02 -0.75 4.13 4.43 2dh7A17 VAL 128 HB -0.09 -0.00 -0.21 -0.04 2.12 1.77 2dh7A17 VAL 128 HG13 -0.05 -0.02 0.09 -0.04 0.97 0.95 2dh7A17 VAL 128 HG23 -0.12 0.06 -0.21 -0.04 0.95 0.64 2dh7A17 VAL 129 H -0.13 0.19 0.21 -0.55 8.24 7.96 2dh7A17 VAL 129 HA -0.06 -0.02 0.41 -0.75 4.13 3.71 2dh7A17 VAL 129 HB -0.78 0.09 0.19 -0.04 2.12 1.58 2dh7A17 VAL 129 HG13 -0.00 -0.01 -0.09 -0.04 0.97 0.83 2dh7A17 VAL 129 HG23 0.28 -0.02 0.00 -0.04 0.95 1.18 2dh7A17 LYS 130 H -0.07 0.13 0.26 -0.55 8.42 8.19 2dh7A17 LYS 130 HA -0.11 -0.07 0.87 -0.75 4.32 4.26 2dh7A17 LYS 130 HB2 -0.04 -0.01 0.06 -0.04 1.87 1.83 2dh7A17 LYS 130 HB3 -0.04 0.03 -0.28 -0.04 1.79 1.46 2dh7A17 LYS 130 HG2 -0.06 -0.13 -0.46 -0.04 1.46 0.77 2dh7A17 LYS 130 HG3 -0.07 0.14 -0.16 -0.04 1.46 1.33 2dh7A17 LYS 130 HD2 -0.03 -0.04 0.01 -0.04 1.69 1.59 2dh7A17 LYS 130 HD3 -0.03 0.30 0.06 -0.04 1.68 1.97 2dh7A17 LYS 130 HE2 -0.03 0.01 0.08 -0.04 2.99 3.02 2dh7A17 LYS 130 HE3 -0.04 0.01 0.06 -0.04 2.99 2.97 2dh7A17 ASP 131 H -0.04 0.57 0.13 -0.55 8.40 8.51 2dh7A17 ASP 131 HA 0.00 0.13 0.50 -0.75 4.63 4.51 2dh7A17 ASP 131 HB2 -0.01 0.27 0.22 -0.04 2.71 3.15 2dh7A17 ASP 131 HB3 -0.01 -0.39 0.21 -0.04 2.70 2.47 2dh7A17 MET 132 H 0.01 0.15 0.23 -0.55 8.47 8.31 2dh7A17 MET 132 HA 0.00 0.25 0.74 -0.75 4.52 4.76 2dh7A17 MET 132 HB2 0.01 0.05 0.08 -0.04 2.15 2.25 2dh7A17 MET 132 HB3 0.01 -0.02 0.09 -0.04 2.03 2.07 2dh7A17 MET 132 HG2 0.01 0.00 0.04 -0.04 2.63 2.64 2dh7A17 MET 132 HG3 0.01 0.02 0.03 -0.04 2.56 2.58 2dh7A17 MET 132 HE3 0.00 0.00 0.07 -0.04 2.10 2.14 2dh7A17 ALA 133 H 0.01 -0.14 0.01 -0.55 8.40 7.73 2dh7A17 ALA 133 HA 0.00 0.28 0.84 -0.75 4.34 4.71 2dh7A17 ALA 133 HB3 0.01 0.00 0.07 -0.04 1.41 1.45 2dh7A17 THR 134 H 0.00 -0.11 0.08 -0.55 8.28 7.71 2dh7A17 THR 134 HA 0.00 0.26 0.71 -0.75 4.39 4.61 2dh7A17 THR 134 HB 0.00 0.09 0.06 -0.04 4.32 4.43 2dh7A17 THR 134 HG23 0.00 0.01 -0.00 -0.04 1.22 1.20 2dh7A17 GLY 135 H -0.01 -0.18 -0.19 -0.55 8.43 7.52 2dh7A17 GLY 135 HA2 -0.01 0.35 0.25 -0.51 4.01 4.09 2dh7A17 GLY 135 HA3 -0.01 0.16 0.45 -0.51 4.01 4.10 2dh7A17 LYS 136 H -0.01 -0.10 -0.14 -0.55 8.42 7.61 2dh7A17 LYS 136 HA -0.02 0.26 0.84 -0.75 4.32 4.64 2dh7A17 LYS 136 HB2 -0.01 -0.10 -0.00 -0.04 1.87 1.72 2dh7A17 LYS 136 HB3 -0.01 0.11 -0.02 -0.04 1.79 1.82 2dh7A17 LYS 136 HG2 -0.01 0.06 -0.04 -0.04 1.46 1.43 2dh7A17 LYS 136 HG3 -0.01 0.08 -0.31 -0.04 1.46 1.18 2dh7A17 LYS 136 HD2 -0.00 0.05 -0.05 -0.04 1.69 1.65 2dh7A17 LYS 136 HD3 -0.00 -0.09 -0.05 -0.04 1.68 1.50 2dh7A17 LYS 136 HE2 0.00 -0.01 -0.02 -0.04 2.99 2.92 2dh7A17 LYS 136 HE3 -0.00 0.02 -0.03 -0.04 2.99 2.94 2dh7A17 SER 137 H -0.04 0.26 0.17 -0.55 8.46 8.31 2dh7A17 SER 137 HA -0.11 0.05 0.36 -0.75 4.49 4.05 2dh7A17 SER 137 HB2 -0.05 0.01 0.22 -0.04 3.95 4.09 2dh7A17 SER 137 HB3 -0.10 -0.04 -0.02 -0.04 3.93 3.73 2dh7A17 LYS 138 H -0.17 0.29 0.51 -0.55 8.42 8.49 2dh7A17 LYS 138 HA -0.03 -0.01 0.39 -0.75 4.32 3.91 2dh7A17 LYS 138 HB2 -0.55 0.14 0.12 -0.04 1.87 1.53 2dh7A17 LYS 138 HB3 0.06 -0.01 -0.02 -0.04 1.79 1.78 2dh7A17 LYS 138 HG2 -0.01 -0.07 0.03 -0.04 1.46 1.37 2dh7A17 LYS 138 HG3 -0.10 -0.01 -0.40 -0.04 1.46 0.91 2dh7A17 LYS 138 HD2 0.27 0.03 -0.07 -0.04 1.69 1.88 2dh7A17 LYS 138 HD3 0.14 -0.02 -0.02 -0.04 1.68 1.75 2dh7A17 LYS 138 HE2 0.11 -0.02 -0.03 -0.04 2.99 3.01 2dh7A17 LYS 138 HE3 0.03 -0.11 -0.12 -0.04 2.99 2.76 2dh7A17 GLY 139 H -0.21 -0.00 -0.34 -0.55 8.43 7.32 2dh7A17 GLY 139 HA2 -0.04 0.46 0.22 -0.51 4.01 4.14 2dh7A17 GLY 139 HA3 0.04 0.15 0.90 -0.51 4.01 4.59 2dh7A17 TYR 140 H -0.39 0.09 0.15 -0.55 8.29 7.59 2dh7A17 TYR 140 HA -0.28 0.17 0.76 -0.75 4.56 4.45 2dh7A17 TYR 140 HB2 -0.52 0.13 0.14 -0.04 3.06 2.78 2dh7A17 TYR 140 HB3 -0.08 -0.01 -0.10 -0.04 2.98 2.74 2dh7A17 TYR 140 HD2 -0.17 0.04 -0.30 -0.04 7.15 6.68 2dh7A17 TYR 140 HE2 0.12 0.00 -0.08 -0.04 6.85 6.85 2dh7A17 GLY 141 H -0.53 0.80 0.41 -0.55 8.43 8.57 2dh7A17 GLY 141 HA2 -0.28 -0.05 0.86 -0.51 4.01 4.03 2dh7A17 GLY 141 HA3 -0.27 0.07 0.49 -0.51 4.01 3.78 2dh7A17 PHE 142 H -0.02 0.51 0.39 -0.55 8.34 8.66 2dh7A17 PHE 142 HA -0.10 0.25 1.06 -0.75 4.62 5.07 2dh7A17 PHE 142 HB2 -0.02 -0.08 0.07 -0.04 3.15 3.07 2dh7A17 PHE 142 HB3 0.03 0.01 -0.02 -0.04 3.06 3.04 2dh7A17 PHE 142 HD2 0.10 -0.04 -0.10 -0.04 7.28 7.20 2dh7A17 PHE 142 HE2 0.30 0.00 -0.08 -0.04 7.38 7.56 2dh7A17 PHE 142 HZ 0.27 0.02 -0.08 -0.04 7.32 7.49 2dh7A17 VAL 143 H 0.06 0.82 0.33 -0.55 8.24 8.91 2dh7A17 VAL 143 HA -0.11 0.18 1.10 -0.75 4.13 4.55 2dh7A17 VAL 143 HB -0.18 0.01 0.09 -0.04 2.12 2.01 2dh7A17 VAL 143 HG13 -0.34 0.03 -0.13 -0.04 0.97 0.50 2dh7A17 VAL 143 HG23 -0.55 0.03 -0.22 -0.04 0.95 0.16 2dh7A17 SER 144 H -0.07 0.74 0.39 -0.55 8.46 8.97 2dh7A17 SER 144 HA 0.17 0.26 1.07 -0.75 4.49 5.24 2dh7A17 SER 144 HB2 0.07 0.06 -0.07 -0.04 3.95 3.96 2dh7A17 SER 144 HB3 0.19 -0.04 -0.01 -0.04 3.93 4.03 2dh7A17 PHE 145 H 0.26 0.69 0.35 -0.55 8.34 9.09 2dh7A17 PHE 145 HA 0.08 0.23 0.99 -0.75 4.62 5.17 2dh7A17 PHE 145 HB2 0.18 0.04 0.12 -0.04 3.15 3.44 2dh7A17 PHE 145 HB3 0.15 -0.10 0.01 -0.04 3.06 3.07 2dh7A17 PHE 145 HD2 0.12 -0.03 -0.18 -0.04 7.28 7.15 2dh7A17 PHE 145 HE2 0.18 0.04 -0.09 -0.04 7.38 7.48 2dh7A17 PHE 145 HZ 0.41 0.05 -0.05 -0.04 7.32 7.68 2dh7A17 TYR 146 H 0.33 0.44 0.17 -0.55 8.29 8.68 2dh7A17 TYR 146 HA -0.30 0.01 0.41 -0.75 4.56 3.93 2dh7A17 TYR 146 HB2 0.05 0.04 0.15 -0.04 3.06 3.25 2dh7A17 TYR 146 HB3 0.05 0.00 -0.02 -0.04 2.98 2.97 2dh7A17 TYR 146 HD2 -0.02 0.16 -0.10 -0.04 7.15 7.15 2dh7A17 TYR 146 HE2 0.00 0.09 -0.22 -0.04 6.85 6.68 2dh7A17 ASN 147 H 0.33 0.05 -0.14 -0.55 8.53 8.22 2dh7A17 ASN 147 HA 0.30 0.30 0.89 -0.75 4.76 5.50 2dh7A17 ASN 147 HB2 0.17 0.07 -0.02 -0.04 2.88 3.05 2dh7A17 ASN 147 HB3 0.11 -0.15 -0.01 -0.04 2.79 2.71 2dh7A17 ASN 147 HD21 0.14 0.05 -0.01 -0.04 7.03 7.17 2dh7A17 ASN 147 HD22 0.10 0.05 0.05 -0.04 7.74 7.90 2dh7A17 LYS 148 H 0.02 0.15 0.15 -0.55 8.42 8.19 2dh7A17 LYS 148 HA -0.49 0.20 0.66 -0.75 4.32 3.93 2dh7A17 LYS 148 HB2 -0.93 0.08 0.08 -0.04 1.87 1.06 2dh7A17 LYS 148 HB3 -0.25 -0.04 0.13 -0.04 1.79 1.59 2dh7A17 LYS 148 HG2 -0.28 -0.00 -0.15 -0.04 1.46 0.99 2dh7A17 LYS 148 HG3 -0.92 0.01 0.03 -0.04 1.46 0.55 2dh7A17 LYS 148 HD2 -0.67 0.03 0.00 -0.04 1.69 1.01 2dh7A17 LYS 148 HD3 -0.27 0.00 -0.01 -0.04 1.68 1.36 2dh7A17 LYS 148 HE2 -0.44 -0.02 -0.03 -0.04 2.99 2.47 2dh7A17 LYS 148 HE3 -0.67 0.03 -0.01 -0.04 2.99 2.30 2dh7A17 LEU 149 H -0.05 0.08 0.09 -0.55 8.37 7.94 2dh7A17 LEU 149 HA -0.03 0.12 0.36 -0.75 4.35 4.04 2dh7A17 LEU 149 HB2 -0.01 0.02 0.16 -0.04 1.64 1.77 2dh7A17 LEU 149 HB3 -0.00 -0.09 0.13 -0.04 1.64 1.64 2dh7A17 LEU 149 HG -0.01 0.05 -0.13 -0.04 1.64 1.51 2dh7A17 LEU 149 HD13 -0.01 0.01 0.02 -0.04 0.93 0.91 2dh7A17 LEU 149 HD23 0.01 0.02 0.01 -0.04 0.89 0.88 2dh7A17 ASP 150 H -0.02 0.04 -0.16 -0.55 8.40 7.71 2dh7A17 ASP 150 HA -0.09 0.20 0.31 -0.75 4.63 4.29 2dh7A17 ASP 150 HB2 -0.00 0.11 -0.31 -0.04 2.71 2.46 2dh7A17 ASP 150 HB3 0.06 0.03 0.09 -0.04 2.70 2.85 2dh7A17 ALA 151 H -0.27 0.09 -0.55 -0.55 8.40 7.12 2dh7A17 ALA 151 HA -1.55 0.03 0.30 -0.75 4.34 2.37 2dh7A17 ALA 151 HB3 0.11 0.05 0.06 -0.04 1.41 1.58 2dh7A17 GLU 152 H -0.09 0.61 -0.07 -0.55 8.60 8.50 2dh7A17 GLU 152 HA -0.14 -0.03 0.37 -0.75 4.29 3.73 2dh7A17 GLU 152 HB2 0.00 0.12 0.20 -0.04 2.09 2.38 2dh7A17 GLU 152 HB3 0.02 -0.02 -0.05 -0.04 1.99 1.90 2dh7A17 GLU 152 HG2 0.41 -0.02 0.02 -0.04 2.34 2.71 2dh7A17 GLU 152 HG3 0.39 0.02 -0.01 -0.04 2.34 2.70 2dh7A17 ASN 153 H -0.18 0.57 -0.19 -0.55 8.53 8.18 2dh7A17 ASN 153 HA -0.00 -0.01 0.35 -0.75 4.76 4.35 2dh7A17 ASN 153 HB2 -0.13 0.29 0.19 -0.04 2.88 3.19 2dh7A17 ASN 153 HB3 0.04 -0.03 0.02 -0.04 2.79 2.78 2dh7A17 ASN 153 HD21 0.03 0.16 0.07 -0.04 7.03 7.24 2dh7A17 ASN 153 HD22 0.01 -0.09 -0.05 -0.04 7.74 7.57 2dh7A17 ALA 154 H -0.69 0.45 -0.21 -0.55 8.40 7.41 2dh7A17 ALA 154 HA -1.92 -0.02 0.50 -0.75 4.34 2.15 2dh7A17 ALA 154 HB3 -0.79 0.04 0.08 -0.04 1.41 0.70 2dh7A17 ILE 155 H -0.42 0.61 0.02 -0.55 8.25 7.91 2dh7A17 ILE 155 HA -0.24 -0.07 0.25 -0.75 4.18 3.38 2dh7A17 ILE 155 HB -0.35 0.13 0.10 -0.04 1.89 1.72 2dh7A17 ILE 155 HG12 -0.61 -0.10 -0.07 -0.04 1.49 0.67 2dh7A17 ILE 155 HG13 -0.56 0.19 0.02 -0.04 1.21 0.82 2dh7A17 ILE 155 HG23 -0.32 -0.01 -0.19 -0.04 0.93 0.37 2dh7A17 ILE 155 HD13 -1.94 -0.03 -0.17 -0.04 0.88 -1.30 2dh7A17 VAL 156 H -0.20 0.34 -0.69 -0.55 8.24 7.14 2dh7A17 VAL 156 HA -0.10 0.10 0.72 -0.75 4.13 4.09 2dh7A17 VAL 156 HB -0.06 0.07 0.10 -0.04 2.12 2.19 2dh7A17 VAL 156 HG13 -0.10 -0.01 -0.09 -0.04 0.97 0.72 2dh7A17 VAL 156 HG23 -0.05 0.01 -0.06 -0.04 0.95 0.81 2dh7A17 HIS 157 H -0.06 0.58 0.17 -0.55 8.41 8.56 2dh7A17 HIS 157 HA -0.02 0.02 0.45 -0.75 4.63 4.32 2dh7A17 HIS 157 HB2 -0.20 0.10 0.25 -0.04 3.26 3.37 2dh7A17 HIS 157 HB3 0.25 -0.05 -0.02 -0.04 3.20 3.34 2dh7A17 HIS 157 HD2 -0.00 0.11 0.14 -0.04 6.97 7.17 2dh7A17 HIS 157 HE1 0.05 -0.04 -0.02 -0.04 7.75 7.70 2dh7A17 MET 158 H -0.23 0.28 0.15 -0.55 8.47 8.12 2dh7A17 MET 158 HA -0.05 -0.01 0.29 -0.75 4.52 4.00 2dh7A17 MET 158 HB2 -0.22 0.05 -0.16 -0.04 2.15 1.78 2dh7A17 MET 158 HB3 -0.17 -0.06 -0.15 -0.04 2.03 1.60 2dh7A17 MET 158 HG2 -0.60 -0.05 0.06 -0.04 2.63 1.99 2dh7A17 MET 158 HG3 -1.73 -0.04 -0.09 -0.04 2.56 0.66 2dh7A17 MET 158 HE3 -0.20 -0.03 -0.13 -0.04 2.10 1.70 2dh7A17 GLY 159 H -0.12 0.29 -0.65 -0.55 8.43 7.40 2dh7A17 GLY 159 HA2 -0.08 -0.20 0.24 -0.51 4.01 3.46 2dh7A17 GLY 159 HA3 -0.09 0.20 0.33 -0.51 4.01 3.94 2dh7A17 GLY 160 H -0.11 0.15 0.18 -0.55 8.43 8.10 2dh7A17 GLY 160 HA2 -0.22 0.05 0.60 -0.51 4.01 3.94 2dh7A17 GLY 160 HA3 -0.15 0.04 0.76 -0.51 4.01 4.16 2dh7A17 GLN 161 H -0.10 0.39 -0.76 -0.55 8.47 7.46 2dh7A17 GLN 161 HA -0.01 -0.04 0.29 -0.75 4.36 3.84 2dh7A17 GLN 161 HB2 0.01 0.41 0.09 -0.04 2.15 2.62 2dh7A17 GLN 161 HB3 -0.03 -0.08 0.03 -0.04 2.02 1.90 2dh7A17 GLN 161 HG2 0.06 -0.03 -0.15 -0.04 2.40 2.24 2dh7A17 GLN 161 HG3 0.08 -0.03 -0.29 -0.04 2.39 2.11 2dh7A17 GLN 161 HE21 0.10 -0.06 0.00 -0.04 6.97 6.97 2dh7A17 GLN 161 HE22 0.08 0.22 -0.02 -0.04 7.69 7.93 2dh7A17 TRP 162 H 0.26 0.11 0.08 -0.55 7.97 7.87 2dh7A17 TRP 162 HA 0.01 0.21 0.74 -0.75 4.62 4.83 2dh7A17 TRP 162 HB2 0.00 -0.05 0.17 -0.04 3.23 3.31 2dh7A17 TRP 162 HB3 0.01 0.04 -0.05 -0.04 3.23 3.18 2dh7A17 TRP 162 HD1 0.00 -0.04 0.00 -0.04 7.22 7.14 2dh7A17 TRP 162 HE1 -0.00 -0.03 -0.02 -0.04 10.20 10.11 2dh7A17 TRP 162 HE3 0.01 0.27 -0.20 -0.04 7.59 7.62 2dh7A17 TRP 162 HZ2 0.00 -0.03 0.01 -0.04 7.44 7.38 2dh7A17 TRP 162 HZ3 0.01 -0.03 0.08 -0.04 7.13 7.15 2dh7A17 TRP 162 HH2 0.00 -0.05 0.03 -0.04 7.19 7.12 2dh7A17 LEU 163 H 0.06 0.30 -0.07 -0.55 8.37 8.11 2dh7A17 LEU 163 HA 0.09 0.13 0.58 -0.75 4.35 4.40 2dh7A17 LEU 163 HB2 0.06 0.06 -0.07 -0.04 1.64 1.65 2dh7A17 LEU 163 HB3 0.07 -0.12 0.08 -0.04 1.64 1.63 2dh7A17 LEU 163 HG 0.07 0.05 -0.06 -0.04 1.64 1.66 2dh7A17 LEU 163 HD13 0.20 -0.01 -0.15 -0.04 0.93 0.93 2dh7A17 LEU 163 HD23 0.08 -0.02 -0.31 -0.04 0.89 0.59 2dh7A17 GLY 164 H 0.08 0.19 0.01 -0.55 8.43 8.16 2dh7A17 GLY 164 HA2 0.08 0.18 0.90 -0.51 4.01 4.67 2dh7A17 GLY 164 HA3 0.06 -0.08 0.21 -0.51 4.01 3.69 2dh7A17 GLY 165 H 0.10 0.17 0.02 -0.55 8.43 8.18 2dh7A17 GLY 165 HA2 0.12 0.01 0.36 -0.51 4.01 3.99 2dh7A17 GLY 165 HA3 0.10 -0.07 0.40 -0.51 4.01 3.93 2dh7A17 ARG 166 H 0.11 0.05 0.41 -0.55 8.46 8.48 2dh7A17 ARG 166 HA 0.40 0.07 0.59 -0.75 4.34 4.65 2dh7A17 ARG 166 HB2 0.02 0.05 0.18 -0.04 1.90 2.11 2dh7A17 ARG 166 HB3 -0.01 -0.05 0.24 -0.04 1.80 1.93 2dh7A17 ARG 166 HG2 0.11 0.01 0.07 -0.04 1.67 1.81 2dh7A17 ARG 166 HG3 0.12 -0.11 0.06 -0.04 1.67 1.70 2dh7A17 ARG 166 HD2 0.04 -0.07 0.09 -0.04 3.22 3.24 2dh7A17 ARG 166 HD3 0.02 0.07 0.05 -0.04 3.22 3.32 2dh7A17 GLN 167 H -0.42 -0.01 0.19 -0.55 8.47 7.68 2dh7A17 GLN 167 HA -0.69 0.19 0.64 -0.75 4.36 3.74 2dh7A17 GLN 167 HB2 -0.59 -0.14 0.15 -0.04 2.15 1.54 2dh7A17 GLN 167 HB3 -0.62 0.14 0.30 -0.04 2.02 1.80 2dh7A17 GLN 167 HG2 -2.93 0.14 0.01 -0.04 2.40 -0.42 2dh7A17 GLN 167 HG3 -3.24 -0.16 0.06 -0.04 2.39 -0.99 2dh7A17 GLN 167 HE21 -0.76 0.15 -0.02 -0.04 6.97 6.29 2dh7A17 GLN 167 HE22 -0.09 -0.10 0.02 -0.04 7.69 7.47 2dh7A17 ILE 168 H -0.30 0.42 0.20 -0.55 8.25 8.02 2dh7A17 ILE 168 HA -0.09 0.40 0.86 -0.75 4.18 4.59 2dh7A17 ILE 168 HB 0.00 -0.03 0.02 -0.04 1.89 1.84 2dh7A17 ILE 168 HG12 -0.09 0.24 -0.06 -0.04 1.49 1.54 2dh7A17 ILE 168 HG13 -0.07 -0.04 -0.21 -0.04 1.21 0.84 2dh7A17 ILE 168 HG23 -0.01 -0.01 -0.13 -0.04 0.93 0.73 2dh7A17 ILE 168 HD13 0.07 -0.05 -0.16 -0.04 0.88 0.69 2dh7A17 ARG 169 H -0.05 0.67 0.25 -0.55 8.46 8.78 2dh7A17 ARG 169 HA -0.05 0.16 0.96 -0.75 4.34 4.65 2dh7A17 ARG 169 HB2 -0.03 0.06 -0.22 -0.04 1.90 1.66 2dh7A17 ARG 169 HB3 0.01 -0.22 -0.10 -0.04 1.80 1.45 2dh7A17 ARG 169 HG2 0.05 0.01 -0.15 -0.04 1.67 1.54 2dh7A17 ARG 169 HG3 -0.01 0.06 0.11 -0.04 1.67 1.78 2dh7A17 ARG 169 HD2 -0.00 0.02 -0.06 -0.04 3.22 3.14 2dh7A17 ARG 169 HD3 0.05 -0.09 -0.09 -0.04 3.22 3.05 2dh7A17 THR 170 H -0.03 0.28 0.23 -0.55 8.28 8.21 2dh7A17 THR 170 HA -0.01 0.29 1.02 -0.75 4.39 4.94 2dh7A17 THR 170 HB -0.12 -0.06 0.03 -0.04 4.32 4.13 2dh7A17 THR 170 HG23 0.04 -0.01 -0.46 -0.04 1.22 0.75 2dh7A17 ASN 171 H -0.01 0.66 0.32 -0.55 8.53 8.95 2dh7A17 ASN 171 HA -0.14 0.04 0.49 -0.75 4.76 4.40 2dh7A17 ASN 171 HB2 0.05 0.07 -0.02 -0.04 2.88 2.94 2dh7A17 ASN 171 HB3 0.02 0.16 0.13 -0.04 2.79 3.05 2dh7A17 ASN 171 HD21 -0.10 0.13 -0.22 -0.04 7.03 6.80 2dh7A17 ASN 171 HD22 -0.30 -0.07 -0.21 -0.04 7.74 7.12 2dh7A17 TRP 172 H 0.03 0.16 0.14 -0.55 7.97 7.76 2dh7A17 TRP 172 HA 0.14 -0.01 0.58 -0.75 4.62 4.57 2dh7A17 TRP 172 HB2 0.06 0.05 0.15 -0.04 3.23 3.44 2dh7A17 TRP 172 HB3 0.11 0.07 0.03 -0.04 3.23 3.39 2dh7A17 TRP 172 HD1 0.02 0.03 0.07 -0.04 7.22 7.30 2dh7A17 TRP 172 HE1 -0.02 0.02 -0.00 -0.04 10.20 10.15 2dh7A17 TRP 172 HE3 0.18 0.09 0.02 -0.04 7.59 7.84 2dh7A17 TRP 172 HZ2 -0.11 -0.01 -0.04 -0.04 7.44 7.24 2dh7A17 TRP 172 HZ3 0.12 -0.04 -0.12 -0.04 7.13 7.05 2dh7A17 TRP 172 HH2 -0.23 0.01 -0.02 -0.04 7.19 6.91 2dh7A17 ALA 173 H 0.43 0.28 0.37 -0.55 8.40 8.93 2dh7A17 ALA 173 HA 0.20 0.08 0.41 -0.75 4.34 4.27 2dh7A17 ALA 173 HB3 0.39 0.02 -0.02 -0.04 1.41 1.76 2dh7A17 THR 174 H 0.32 0.07 0.07 -0.55 8.28 8.19 2dh7A17 THR 174 HA 0.12 -0.03 0.36 -0.75 4.39 4.08 2dh7A17 THR 174 HB 0.16 -0.03 0.10 -0.04 4.32 4.51 2dh7A17 THR 174 HG23 0.05 0.02 -0.10 -0.04 1.22 1.15 2dh7A17 ARG 175 H 0.06 0.03 0.24 -0.55 8.46 8.23 2dh7A17 ARG 175 HA 0.05 0.17 0.77 -0.75 4.34 4.58 2dh7A17 ARG 175 HB2 0.01 -0.03 0.04 -0.04 1.90 1.88 2dh7A17 ARG 175 HB3 0.02 0.10 0.10 -0.04 1.80 1.98 2dh7A17 ARG 175 HG2 0.02 -0.04 0.15 -0.04 1.67 1.75 2dh7A17 ARG 175 HG3 0.01 -0.01 -0.00 -0.04 1.67 1.63 2dh7A17 ARG 175 HD2 -0.01 0.02 0.01 -0.04 3.22 3.20 2dh7A17 ARG 175 HD3 -0.00 -0.04 0.01 -0.04 3.22 3.15 2dh7A17 LYS 176 H 0.02 0.25 0.15 -0.55 8.42 8.29 2dh7A17 LYS 176 HA 0.00 0.05 0.45 -0.75 4.32 4.07 2dh7A17 LYS 176 HB2 -0.01 0.04 0.04 -0.04 1.87 1.91 2dh7A17 LYS 176 HB3 0.00 0.13 -0.17 -0.04 1.79 1.71 2dh7A17 LYS 176 HG2 -0.02 -0.04 -0.19 -0.04 1.46 1.18 2dh7A17 LYS 176 HG3 -0.00 -0.04 -0.12 -0.04 1.46 1.25 2dh7A17 LYS 176 HD2 -0.01 0.04 -0.67 -0.04 1.69 1.00 2dh7A17 LYS 176 HD3 -0.02 0.02 -0.16 -0.04 1.68 1.49 2dh7A17 LYS 176 HE2 -0.04 -0.04 -0.08 -0.04 2.99 2.79 2dh7A17 LYS 176 HE3 -0.06 -0.03 -0.08 -0.04 2.99 2.77 2dh7A17 PRO 177 HA -0.00 0.07 0.47 -0.51 4.44 4.47 2dh7A17 PRO 177 HB2 -0.00 0.14 -0.04 -0.04 2.28 2.33 2dh7A17 PRO 177 HB3 -0.00 -0.02 0.09 -0.04 2.02 2.05 2dh7A17 PRO 177 HG2 -0.01 0.03 0.03 -0.04 2.03 2.05 2dh7A17 PRO 177 HG3 -0.00 0.01 0.05 -0.04 2.03 2.05 2dh7A17 PRO 177 HD2 -0.00 0.10 0.20 -0.04 3.68 3.94 2dh7A17 PRO 177 HD3 -0.00 0.10 0.13 -0.04 3.65 3.84 2dh7A17 PRO 178 HA -0.01 0.02 0.45 -0.51 4.44 4.38 2dh7A17 PRO 178 HB2 -0.00 0.11 0.01 -0.04 2.28 2.35 2dh7A17 PRO 178 HB3 -0.00 0.00 0.13 -0.04 2.02 2.11 2dh7A17 PRO 178 HG2 -0.00 0.04 0.08 -0.04 2.03 2.11 2dh7A17 PRO 178 HG3 0.00 0.02 0.10 -0.04 2.03 2.10 2dh7A17 PRO 178 HD2 -0.00 0.05 0.22 -0.04 3.68 3.91 2dh7A17 PRO 178 HD3 0.00 0.15 0.23 -0.04 3.65 3.99 2dh7A17 ALA 179 H -0.01 0.04 0.14 -0.55 8.40 8.02 2dh7A17 ALA 179 HA -0.01 0.08 0.32 -0.75 4.34 3.98 2dh7A17 ALA 179 HB3 -0.01 -0.01 0.04 -0.04 1.41 1.39 2dh7A17 PRO 180 HA -0.00 0.09 0.43 -0.51 4.44 4.45 2dh7A17 PRO 180 HB2 -0.00 -0.01 0.05 -0.04 2.28 2.28 2dh7A17 PRO 180 HB3 -0.00 0.04 0.09 -0.04 2.02 2.10 2dh7A17 PRO 180 HG2 -0.01 -0.01 0.15 -0.04 2.03 2.13 2dh7A17 PRO 180 HG3 -0.01 0.03 0.09 -0.04 2.03 2.10 2dh7A17 PRO 180 HD2 -0.01 0.04 0.18 -0.04 3.68 3.85 2dh7A17 PRO 180 HD3 -0.01 0.16 0.14 -0.04 3.65 3.91 2dh7A17 SER 181 H -0.00 0.25 0.20 -0.55 8.46 8.36 2dh7A17 SER 181 HA -0.00 0.04 0.66 -0.75 4.49 4.43 2dh7A17 SER 181 HB2 -0.00 -0.01 0.02 -0.04 3.95 3.92 2dh7A17 SER 181 HB3 -0.00 -0.01 0.17 -0.04 3.93 4.04 2dh7A17 GLY 182 H -0.00 0.13 0.14 -0.55 8.43 8.15 2dh7A17 GLY 182 HA2 -0.00 0.03 0.29 -0.51 4.01 3.81 2dh7A17 GLY 182 HA3 -0.00 -0.01 0.29 -0.51 4.01 3.77 2dh7A17 PRO 183 HA -0.00 0.09 0.50 -0.51 4.44 4.51 2dh7A17 PRO 183 HB2 -0.00 -0.00 -0.02 -0.04 2.28 2.21 2dh7A17 PRO 183 HB3 -0.00 0.04 0.10 -0.04 2.02 2.12 2dh7A17 PRO 183 HG2 -0.00 0.00 0.13 -0.04 2.03 2.11 2dh7A17 PRO 183 HG3 -0.00 0.03 0.08 -0.04 2.03 2.09 2dh7A17 PRO 183 HD2 -0.00 0.05 0.21 -0.04 3.68 3.89 2dh7A17 PRO 183 HD3 -0.00 0.14 0.15 -0.04 3.65 3.89 2dh7A17 SER 184 H -0.00 0.29 0.20 -0.55 8.46 8.41 2dh7A17 SER 184 HA -0.00 0.09 0.53 -0.75 4.49 4.35 2dh7A17 SER 184 HB2 -0.00 0.18 -0.31 -0.04 3.95 3.78 2dh7A17 SER 184 HB3 -0.00 -0.00 -0.10 -0.04 3.93 3.78 2dh7A17 SER 185 H -0.00 0.16 0.11 -0.55 8.46 8.18 2dh7A17 SER 185 HA -0.00 0.07 0.35 -0.75 4.49 4.16 2dh7A17 SER 185 HB2 -0.00 -0.05 0.12 -0.04 3.95 3.98 2dh7A17 SER 185 HB3 -0.00 0.05 0.01 -0.04 3.93 3.94 2dh7A17 GLY 186 H -0.00 0.02 -0.35 -0.55 8.43 7.56 2dh7A17 GLY 186 HA2 -0.00 0.28 0.76 -0.51 4.01 4.54 2dh7A17 GLY 186 HA3 -0.00 0.00 0.11 -0.51 4.01 3.61