============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. HIS 11 0.900 -29.852 -32.503 1.245 -99.200 -91.000 TYR 32 0.840 7.523 5.025 -7.658 -99.200 -91.000 TYR 34 0.840 0.155 1.912 -1.226 -99.200 -91.000 HIS 38 0.900 -5.236 5.748 -0.159 -99.200 -91.000 HIS 39 0.900 -10.434 3.746 4.270 -99.200 -91.000 PHE 44 1.000 2.096 -1.373 -3.720 -99.200 -91.000 TRP 59 1.040 -6.005 4.943 -5.644 -99.200 -91.000 TRP6 59 1.020 -4.191 4.759 -4.165 -99.200 -91.000 TRP 60 1.040 -5.728 0.304 -11.863 -99.200 -91.000 TRP6 60 1.020 -3.758 0.072 -13.121 -99.200 -91.000 TYR 72 0.840 -10.466 -1.627 -4.176 -99.200 -91.000 TYR 77 0.840 3.730 4.755 -4.593 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2oj2A13 GLY 1 HA2 -0.00 -0.08 0.21 -0.51 4.01 3.63 2oj2A13 GLY 1 HA3 -0.00 -0.03 0.16 -0.51 4.01 3.63 2oj2A13 PRO 2 HA -0.00 0.13 0.52 -0.51 4.44 4.58 2oj2A13 PRO 2 HB2 -0.00 -0.02 0.04 -0.04 2.28 2.25 2oj2A13 PRO 2 HB3 -0.00 0.01 0.10 -0.04 2.02 2.09 2oj2A13 PRO 2 HG2 -0.00 0.01 0.01 -0.04 2.03 2.01 2oj2A13 PRO 2 HG3 -0.00 0.01 0.05 -0.04 2.03 2.06 2oj2A13 PRO 2 HD2 -0.00 0.08 0.15 -0.04 3.68 3.87 2oj2A13 PRO 2 HD3 -0.00 0.10 0.16 -0.04 3.65 3.87 2oj2A13 LEU 3 H -0.00 0.21 0.15 -0.55 8.37 8.19 2oj2A13 LEU 3 HA -0.00 0.01 0.44 -0.75 4.35 4.05 2oj2A13 LEU 3 HB2 -0.00 -0.01 0.08 -0.04 1.64 1.66 2oj2A13 LEU 3 HB3 -0.00 0.30 -0.02 -0.04 1.64 1.88 2oj2A13 LEU 3 HG -0.00 -0.07 -0.01 -0.04 1.64 1.52 2oj2A13 LEU 3 HD13 -0.00 -0.01 -0.12 -0.04 0.93 0.76 2oj2A13 LEU 3 HD23 -0.00 0.02 -0.12 -0.04 0.89 0.75 2oj2A13 GLY 4 H -0.00 0.24 0.20 -0.55 8.43 8.32 2oj2A13 GLY 4 HA2 -0.00 0.19 0.82 -0.51 4.01 4.51 2oj2A13 GLY 4 HA3 -0.00 -0.01 0.28 -0.51 4.01 3.77 2oj2A13 SER 5 H -0.00 0.15 0.01 -0.55 8.46 8.07 2oj2A13 SER 5 HA -0.00 0.09 0.55 -0.75 4.49 4.37 2oj2A13 SER 5 HB2 -0.00 -0.07 -0.11 -0.04 3.95 3.72 2oj2A13 SER 5 HB3 -0.00 0.07 0.06 -0.04 3.93 4.02 2oj2A13 PRO 6 HA -0.00 0.12 0.53 -0.51 4.44 4.58 2oj2A13 PRO 6 HB2 -0.00 0.01 0.04 -0.04 2.28 2.28 2oj2A13 PRO 6 HB3 -0.00 0.02 0.09 -0.04 2.02 2.09 2oj2A13 PRO 6 HG2 -0.00 0.04 0.01 -0.04 2.03 2.04 2oj2A13 PRO 6 HG3 -0.00 0.03 0.03 -0.04 2.03 2.05 2oj2A13 PRO 6 HD2 -0.00 0.14 0.15 -0.04 3.68 3.92 2oj2A13 PRO 6 HD3 -0.00 0.08 0.06 -0.04 3.65 3.74 2oj2A13 GLY 7 H -0.01 0.13 0.06 -0.55 8.43 8.06 2oj2A13 GLY 7 HA2 -0.01 0.07 0.49 -0.51 4.01 4.05 2oj2A13 GLY 7 HA3 -0.01 0.08 0.37 -0.51 4.01 3.94 2oj2A13 PRO 8 HA -0.01 0.12 0.52 -0.51 4.44 4.56 2oj2A13 PRO 8 HB2 -0.00 0.00 -0.01 -0.04 2.28 2.23 2oj2A13 PRO 8 HB3 -0.00 0.03 0.08 -0.04 2.02 2.09 2oj2A13 PRO 8 HG2 -0.00 0.03 -0.01 -0.04 2.03 2.01 2oj2A13 PRO 8 HG3 -0.00 0.04 0.03 -0.04 2.03 2.06 2oj2A13 PRO 8 HD2 -0.01 0.13 0.16 -0.04 3.68 3.92 2oj2A13 PRO 8 HD3 -0.00 0.11 0.10 -0.04 3.65 3.82 2oj2A13 ASN 9 H -0.02 0.16 0.06 -0.55 8.53 8.19 2oj2A13 ASN 9 HA -0.06 0.22 1.01 -0.75 4.76 5.17 2oj2A13 ASN 9 HB2 -0.05 -0.03 0.03 -0.04 2.88 2.79 2oj2A13 ASN 9 HB3 -0.08 0.00 0.14 -0.04 2.79 2.81 2oj2A13 ASN 9 HD21 -0.28 0.17 -0.18 -0.04 7.03 6.70 2oj2A13 ASN 9 HD22 -0.21 -0.04 -0.01 -0.04 7.74 7.44 2oj2A13 SER 10 H -0.03 0.16 0.00 -0.55 8.46 8.04 2oj2A13 SER 10 HA 0.02 -0.00 0.34 -0.75 4.49 4.10 2oj2A13 SER 10 HB2 0.00 0.01 0.10 -0.04 3.95 4.02 2oj2A13 SER 10 HB3 0.01 0.01 0.06 -0.04 3.93 3.98 2oj2A13 HIS 11 H 0.10 0.12 0.09 -0.55 8.41 8.17 2oj2A13 HIS 11 HA 0.00 -0.00 0.45 -0.75 4.63 4.32 2oj2A13 HIS 11 HB2 0.00 0.16 -0.34 -0.04 3.26 3.05 2oj2A13 HIS 11 HB3 0.00 -0.05 0.04 -0.04 3.20 3.15 2oj2A13 HIS 11 HD2 0.00 -0.03 -0.01 -0.04 6.97 6.88 2oj2A13 HIS 11 HE1 0.00 -0.04 0.01 -0.04 7.75 7.68 2oj2A13 ASN 12 H 0.02 0.25 0.09 -0.55 8.53 8.34 2oj2A13 ASN 12 HA -0.01 0.09 0.49 -0.75 4.76 4.57 2oj2A13 ASN 12 HB2 0.01 0.01 0.03 -0.04 2.88 2.89 2oj2A13 ASN 12 HB3 0.02 0.18 0.02 -0.04 2.79 2.97 2oj2A13 ASN 12 HD21 0.01 0.03 -0.06 -0.04 7.03 6.98 2oj2A13 ASN 12 HD22 0.01 -0.01 -0.05 -0.04 7.74 7.66 2oj2A13 SER 13 H -0.03 0.32 0.19 -0.55 8.46 8.39 2oj2A13 SER 13 HA -0.01 0.09 0.46 -0.75 4.49 4.27 2oj2A13 SER 13 HB2 -0.06 -0.07 -0.22 -0.04 3.95 3.57 2oj2A13 SER 13 HB3 -0.03 -0.00 -0.04 -0.04 3.93 3.81 2oj2A13 ASN 14 H -0.01 0.24 0.10 -0.55 8.53 8.31 2oj2A13 ASN 14 HA -0.01 0.02 0.42 -0.75 4.76 4.43 2oj2A13 ASN 14 HB2 -0.01 -0.02 -0.43 -0.04 2.88 2.38 2oj2A13 ASN 14 HB3 -0.01 0.02 -0.14 -0.04 2.79 2.62 2oj2A13 ASN 14 HD21 -0.02 0.46 0.41 -0.04 7.03 7.83 2oj2A13 ASN 14 HD22 -0.01 -0.06 0.11 -0.04 7.74 7.74 2oj2A13 THR 15 H -0.01 0.13 0.17 -0.55 8.28 8.02 2oj2A13 THR 15 HA -0.00 0.14 0.75 -0.75 4.39 4.52 2oj2A13 THR 15 HB -0.00 0.07 0.08 -0.04 4.32 4.43 2oj2A13 THR 15 HG23 -0.01 -0.01 0.01 -0.04 1.22 1.18 2oj2A13 PRO 16 HA -0.00 0.14 0.45 -0.51 4.44 4.51 2oj2A13 PRO 16 HB2 -0.00 -0.04 0.11 -0.04 2.28 2.30 2oj2A13 PRO 16 HB3 -0.00 0.05 0.10 -0.04 2.02 2.13 2oj2A13 PRO 16 HG2 -0.00 0.04 -0.03 -0.04 2.03 2.00 2oj2A13 PRO 16 HG3 -0.00 0.05 0.07 -0.04 2.03 2.10 2oj2A13 PRO 16 HD2 -0.00 0.07 0.15 -0.04 3.68 3.85 2oj2A13 PRO 16 HD3 -0.00 0.19 0.28 -0.04 3.65 4.07 2oj2A13 GLY 17 H -0.00 0.11 0.08 -0.55 8.43 8.07 2oj2A13 GLY 17 HA2 -0.00 0.13 0.44 -0.51 4.01 4.07 2oj2A13 GLY 17 HA3 -0.00 -0.01 0.36 -0.51 4.01 3.85 2oj2A13 ILE 18 H -0.00 0.41 0.26 -0.55 8.25 8.37 2oj2A13 ILE 18 HA -0.00 0.04 0.72 -0.75 4.18 4.18 2oj2A13 ILE 18 HB -0.00 0.05 0.11 -0.04 1.89 2.00 2oj2A13 ILE 18 HG12 -0.00 -0.03 -0.10 -0.04 1.49 1.31 2oj2A13 ILE 18 HG13 -0.00 0.07 -0.31 -0.04 1.21 0.93 2oj2A13 ILE 18 HG23 -0.00 0.02 -0.02 -0.04 0.93 0.88 2oj2A13 ILE 18 HD13 -0.00 -0.02 0.00 -0.04 0.88 0.82 2oj2A13 ARG 19 H -0.00 0.04 0.15 -0.55 8.46 8.09 2oj2A13 ARG 19 HA -0.00 0.04 0.29 -0.75 4.34 3.92 2oj2A13 ARG 19 HB2 -0.00 0.00 0.10 -0.04 1.90 1.96 2oj2A13 ARG 19 HB3 -0.00 0.00 0.14 -0.04 1.80 1.90 2oj2A13 ARG 19 HG2 -0.00 -0.04 0.04 -0.04 1.67 1.63 2oj2A13 ARG 19 HG3 -0.00 0.03 -0.25 -0.04 1.67 1.41 2oj2A13 ARG 19 HD2 -0.00 0.00 -0.09 -0.04 3.22 3.08 2oj2A13 ARG 19 HD3 -0.00 0.00 -0.01 -0.04 3.22 3.17 2oj2A13 GLU 20 H -0.00 0.24 0.24 -0.55 8.60 8.53 2oj2A13 GLU 20 HA -0.00 0.09 0.53 -0.75 4.29 4.15 2oj2A13 GLU 20 HB2 -0.00 0.03 -0.20 -0.04 2.09 1.88 2oj2A13 GLU 20 HB3 -0.00 -0.01 -0.03 -0.04 1.99 1.90 2oj2A13 GLU 20 HG2 -0.00 -0.06 0.15 -0.04 2.34 2.39 2oj2A13 GLU 20 HG3 -0.00 0.23 0.26 -0.04 2.34 2.78 2oj2A13 ALA 21 H -0.00 0.31 0.22 -0.55 8.40 8.38 2oj2A13 ALA 21 HA -0.00 0.13 0.76 -0.75 4.34 4.47 2oj2A13 ALA 21 HB3 -0.00 0.01 -0.02 -0.04 1.41 1.36 2oj2A13 GLY 22 H -0.00 0.02 0.12 -0.55 8.43 8.02 2oj2A13 GLY 22 HA2 -0.00 0.08 0.51 -0.51 4.01 4.09 2oj2A13 GLY 22 HA3 -0.00 0.10 0.36 -0.51 4.01 3.96 2oj2A13 SER 23 H -0.01 0.01 0.14 -0.55 8.46 8.06 2oj2A13 SER 23 HA -0.01 0.00 0.32 -0.75 4.49 4.05 2oj2A13 SER 23 HB2 -0.01 0.10 -0.40 -0.04 3.95 3.59 2oj2A13 SER 23 HB3 -0.01 -0.02 0.17 -0.04 3.93 4.03 2oj2A13 GLU 24 H -0.01 0.02 0.10 -0.55 8.60 8.17 2oj2A13 GLU 24 HA -0.02 -0.08 0.40 -0.75 4.29 3.84 2oj2A13 GLU 24 HB2 -0.02 0.23 0.31 -0.04 2.09 2.57 2oj2A13 GLU 24 HB3 -0.03 -0.03 0.06 -0.04 1.99 1.95 2oj2A13 GLU 24 HG2 -0.02 -0.02 -0.52 -0.04 2.34 1.75 2oj2A13 GLU 24 HG3 -0.02 0.04 -0.07 -0.04 2.34 2.25 2oj2A13 ASP 25 H -0.02 0.11 -0.01 -0.55 8.40 7.93 2oj2A13 ASP 25 HA -0.01 0.28 0.63 -0.75 4.63 4.78 2oj2A13 ASP 25 HB2 -0.01 -0.06 0.08 -0.04 2.71 2.68 2oj2A13 ASP 25 HB3 -0.00 -0.01 -0.06 -0.04 2.70 2.59 2oj2A13 ILE 26 H -0.02 0.47 0.05 -0.55 8.25 8.20 2oj2A13 ILE 26 HA -0.02 0.07 0.71 -0.75 4.18 4.18 2oj2A13 ILE 26 HB -0.07 0.13 0.15 -0.04 1.89 2.06 2oj2A13 ILE 26 HG12 -0.08 -0.07 -0.09 -0.04 1.49 1.21 2oj2A13 ILE 26 HG13 -0.17 0.06 -0.05 -0.04 1.21 1.01 2oj2A13 ILE 26 HG23 -0.05 -0.02 -0.14 -0.04 0.93 0.68 2oj2A13 ILE 26 HD13 -0.09 0.00 -0.02 -0.04 0.88 0.73 2oj2A13 ILE 27 H 0.00 0.21 0.26 -0.55 8.25 8.17 2oj2A13 ILE 27 HA 0.02 0.37 0.80 -0.75 4.18 4.61 2oj2A13 ILE 27 HB 0.00 -0.11 0.16 -0.04 1.89 1.91 2oj2A13 ILE 27 HG12 -0.00 0.17 0.04 -0.04 1.49 1.66 2oj2A13 ILE 27 HG13 -0.00 0.02 0.01 -0.04 1.21 1.19 2oj2A13 ILE 27 HG23 -0.00 0.01 -0.07 -0.04 0.93 0.82 2oj2A13 ILE 27 HD13 0.00 0.01 -0.23 -0.04 0.88 0.63 2oj2A13 VAL 28 H 0.01 0.41 0.28 -0.55 8.24 8.39 2oj2A13 VAL 28 HA 0.01 0.10 0.63 -0.75 4.13 4.11 2oj2A13 VAL 28 HB 0.02 -0.03 -0.20 -0.04 2.12 1.87 2oj2A13 VAL 28 HG13 0.24 0.02 -0.46 -0.04 0.97 0.73 2oj2A13 VAL 28 HG23 0.04 0.01 -0.03 -0.04 0.95 0.92 2oj2A13 VAL 29 H -0.04 0.47 -0.02 -0.55 8.24 8.10 2oj2A13 VAL 29 HA -0.07 0.23 0.63 -0.75 4.13 4.16 2oj2A13 VAL 29 HB -0.04 -0.05 -0.02 -0.04 2.12 1.97 2oj2A13 VAL 29 HG13 -0.08 0.05 -0.11 -0.04 0.97 0.79 2oj2A13 VAL 29 HG23 -0.04 0.01 -0.23 -0.04 0.95 0.65 2oj2A13 ALA 30 H -0.10 0.55 0.28 -0.55 8.40 8.59 2oj2A13 ALA 30 HA -0.20 0.25 0.63 -0.75 4.34 4.26 2oj2A13 ALA 30 HB3 0.02 -0.05 0.11 -0.04 1.41 1.45 2oj2A13 LEU 31 H -0.24 0.95 0.11 -0.55 8.37 8.64 2oj2A13 LEU 31 HA -0.48 0.12 0.51 -0.75 4.35 3.75 2oj2A13 LEU 31 HB2 -0.80 -0.04 -0.19 -0.04 1.64 0.58 2oj2A13 LEU 31 HB3 -1.38 -0.01 -0.01 -0.04 1.64 0.20 2oj2A13 LEU 31 HG -0.23 -0.11 -0.55 -0.04 1.64 0.71 2oj2A13 LEU 31 HD13 -0.10 0.08 -0.16 -0.04 0.93 0.71 2oj2A13 LEU 31 HD23 -0.22 0.01 -0.19 -0.04 0.89 0.45 2oj2A13 TYR 32 H -0.14 0.26 -0.08 -0.55 8.29 7.78 2oj2A13 TYR 32 HA -0.09 0.09 0.52 -0.75 4.56 4.32 2oj2A13 TYR 32 HB2 -1.08 0.01 -0.12 -0.04 3.06 1.83 2oj2A13 TYR 32 HB3 -0.29 0.01 0.07 -0.04 2.98 2.73 2oj2A13 TYR 32 HD2 -0.71 -0.07 0.00 -0.04 7.15 6.34 2oj2A13 TYR 32 HE2 -0.15 0.17 0.06 -0.04 6.85 6.89 2oj2A13 ASP 33 H 0.12 0.16 0.13 -0.55 8.40 8.26 2oj2A13 ASP 33 HA 0.17 -0.14 0.39 -0.75 4.63 4.29 2oj2A13 ASP 33 HB2 0.08 0.04 0.07 -0.04 2.71 2.87 2oj2A13 ASP 33 HB3 0.05 0.10 0.11 -0.04 2.70 2.93 2oj2A13 TYR 34 H -0.08 0.59 0.23 -0.55 8.29 8.48 2oj2A13 TYR 34 HA -0.11 0.16 0.84 -0.75 4.56 4.69 2oj2A13 TYR 34 HB2 -0.36 0.16 -0.15 -0.04 3.06 2.67 2oj2A13 TYR 34 HB3 -2.75 -0.14 0.10 -0.04 2.98 0.15 2oj2A13 TYR 34 HD2 -0.58 0.11 0.09 -0.04 7.15 6.72 2oj2A13 TYR 34 HE2 -0.05 0.13 0.04 -0.04 6.85 6.93 2oj2A13 GLU 35 H -0.77 0.17 -0.03 -0.55 8.60 7.42 2oj2A13 GLU 35 HA -0.31 0.14 0.91 -0.75 4.29 4.28 2oj2A13 GLU 35 HB2 -0.20 -0.04 -0.05 -0.04 2.09 1.76 2oj2A13 GLU 35 HB3 -0.20 0.10 0.16 -0.04 1.99 2.01 2oj2A13 GLU 35 HG2 -0.12 0.01 0.07 -0.04 2.34 2.26 2oj2A13 GLU 35 HG3 -0.10 -0.00 -0.12 -0.04 2.34 2.08 2oj2A13 ALA 36 H -0.96 0.12 -0.21 -0.55 8.40 6.81 2oj2A13 ALA 36 HA -0.32 -0.08 0.14 -0.75 4.34 3.33 2oj2A13 ALA 36 HB3 -0.09 0.03 -0.29 -0.04 1.41 1.02 2oj2A13 ILE 37 H -0.63 -0.02 -0.04 -0.55 8.25 7.02 2oj2A13 ILE 37 HA -0.20 0.17 0.41 -0.75 4.18 3.80 2oj2A13 ILE 37 HB -0.17 -0.11 0.08 -0.04 1.89 1.65 2oj2A13 ILE 37 HG12 -0.15 0.08 -0.03 -0.04 1.49 1.35 2oj2A13 ILE 37 HG13 -0.41 -0.14 -0.03 -0.04 1.21 0.59 2oj2A13 ILE 37 HG23 0.13 0.01 -0.07 -0.04 0.93 0.96 2oj2A13 ILE 37 HD13 0.13 0.01 -0.01 -0.04 0.88 0.96 2oj2A13 HIS 38 H -0.69 -0.10 -0.18 -0.55 8.41 6.89 2oj2A13 HIS 38 HA -0.09 0.19 0.50 -0.75 4.63 4.48 2oj2A13 HIS 38 HB2 -0.43 -0.10 0.00 -0.04 3.26 2.70 2oj2A13 HIS 38 HB3 -0.36 0.04 0.11 -0.04 3.20 2.95 2oj2A13 HIS 38 HD2 -1.12 0.05 -0.08 -0.04 6.97 5.78 2oj2A13 HIS 38 HE1 0.13 0.04 -0.04 -0.04 7.75 7.84 2oj2A13 HIS 39 H -0.47 -0.05 0.10 -0.55 8.41 7.44 2oj2A13 HIS 39 HA -0.01 0.35 0.93 -0.75 4.63 5.15 2oj2A13 HIS 39 HB2 0.00 0.04 0.03 -0.04 3.26 3.29 2oj2A13 HIS 39 HB3 -0.01 0.08 -0.00 -0.04 3.20 3.23 2oj2A13 HIS 39 HD2 0.01 0.04 -0.05 -0.04 6.97 6.93 2oj2A13 HIS 39 HE1 -0.06 0.02 0.02 -0.04 7.75 7.69 2oj2A13 GLU 40 H -0.57 -0.03 0.07 -0.55 8.60 7.52 2oj2A13 GLU 40 HA 0.06 0.27 0.83 -0.75 4.29 4.70 2oj2A13 GLU 40 HB2 -0.01 -0.02 0.13 -0.04 2.09 2.15 2oj2A13 GLU 40 HB3 0.08 -0.03 0.26 -0.04 1.99 2.25 2oj2A13 GLU 40 HG2 0.29 -0.04 0.04 -0.04 2.34 2.60 2oj2A13 GLU 40 HG3 0.11 0.08 0.06 -0.04 2.34 2.55 2oj2A13 ASP 41 H 0.03 0.59 -0.20 -0.55 8.40 8.28 2oj2A13 ASP 41 HA 0.20 0.05 0.73 -0.75 4.63 4.86 2oj2A13 ASP 41 HB2 -0.09 -0.16 -0.37 -0.04 2.71 2.06 2oj2A13 ASP 41 HB3 0.27 0.07 -0.08 -0.04 2.70 2.92 2oj2A13 LEU 42 H 0.29 0.88 0.11 -0.55 8.37 9.10 2oj2A13 LEU 42 HA 0.12 0.20 0.78 -0.75 4.35 4.70 2oj2A13 LEU 42 HB2 0.13 -0.14 -0.21 -0.04 1.64 1.38 2oj2A13 LEU 42 HB3 0.27 0.02 -0.23 -0.04 1.64 1.66 2oj2A13 LEU 42 HG 0.18 0.07 -0.05 -0.04 1.64 1.80 2oj2A13 LEU 42 HD13 0.07 -0.01 -0.20 -0.04 0.93 0.75 2oj2A13 LEU 42 HD23 0.13 0.01 -0.16 -0.04 0.89 0.83 2oj2A13 SER 43 H 0.11 0.19 0.11 -0.55 8.46 8.34 2oj2A13 SER 43 HA -0.04 -0.03 0.83 -0.75 4.49 4.50 2oj2A13 SER 43 HB2 -0.10 0.18 0.13 -0.04 3.95 4.12 2oj2A13 SER 43 HB3 -0.12 0.00 -0.13 -0.04 3.93 3.65 2oj2A13 PHE 44 H -0.49 0.29 0.22 -0.55 8.34 7.81 2oj2A13 PHE 44 HA 0.08 0.15 0.77 -0.75 4.62 4.86 2oj2A13 PHE 44 HB2 0.08 -0.07 0.16 -0.04 3.15 3.28 2oj2A13 PHE 44 HB3 0.10 0.01 -0.17 -0.04 3.06 2.95 2oj2A13 PHE 44 HD2 0.16 0.00 -0.35 -0.04 7.28 7.05 2oj2A13 PHE 44 HE2 0.05 0.11 0.01 -0.04 7.38 7.50 2oj2A13 PHE 44 HZ -0.44 -0.05 -0.01 -0.04 7.32 6.79 2oj2A13 GLN 45 H 0.31 0.16 0.20 -0.55 8.47 8.60 2oj2A13 GLN 45 HA 0.15 0.12 1.01 -0.75 4.36 4.89 2oj2A13 GLN 45 HB2 0.10 -0.02 -0.04 -0.04 2.15 2.15 2oj2A13 GLN 45 HB3 0.08 0.09 -0.02 -0.04 2.02 2.12 2oj2A13 GLN 45 HG2 0.05 0.02 0.02 -0.04 2.40 2.45 2oj2A13 GLN 45 HG3 0.07 0.03 -0.44 -0.04 2.39 2.01 2oj2A13 GLN 45 HE21 0.03 0.03 -0.09 -0.04 6.97 6.89 2oj2A13 GLN 45 HE22 0.03 0.02 -0.06 -0.04 7.69 7.64 2oj2A13 LYS 46 H 0.10 0.13 0.02 -0.55 8.42 8.12 2oj2A13 LYS 46 HA 0.05 0.08 0.11 -0.75 4.32 3.81 2oj2A13 LYS 46 HB2 0.05 -0.28 -0.01 -0.04 1.87 1.60 2oj2A13 LYS 46 HB3 0.03 0.02 0.12 -0.04 1.79 1.91 2oj2A13 LYS 46 HG2 -0.08 0.14 -0.33 -0.04 1.46 1.15 2oj2A13 LYS 46 HG3 -0.16 0.17 -0.82 -0.04 1.46 0.61 2oj2A13 LYS 46 HD2 -0.01 0.02 0.01 -0.04 1.69 1.67 2oj2A13 LYS 46 HD3 -0.00 -0.07 -0.01 -0.04 1.68 1.55 2oj2A13 LYS 46 HE2 -0.07 0.02 -0.12 -0.04 2.99 2.78 2oj2A13 LYS 46 HE3 -0.08 0.05 -0.02 -0.04 2.99 2.90 2oj2A13 GLY 47 H -0.00 0.21 0.36 -0.55 8.43 8.46 2oj2A13 GLY 47 HA2 -0.03 0.05 0.28 -0.51 4.01 3.80 2oj2A13 GLY 47 HA3 -0.00 0.18 0.81 -0.51 4.01 4.50 2oj2A13 ASP 48 H 0.05 0.50 0.23 -0.55 8.40 8.64 2oj2A13 ASP 48 HA 0.03 0.16 0.65 -0.75 4.63 4.71 2oj2A13 ASP 48 HB2 0.14 0.07 0.26 -0.04 2.71 3.14 2oj2A13 ASP 48 HB3 0.08 -0.02 0.02 -0.04 2.70 2.75 2oj2A13 GLN 49 H 0.01 0.17 0.21 -0.55 8.47 8.31 2oj2A13 GLN 49 HA -0.04 0.30 0.88 -0.75 4.36 4.74 2oj2A13 GLN 49 HB2 -0.00 0.01 0.10 -0.04 2.15 2.22 2oj2A13 GLN 49 HB3 -0.01 -0.01 -0.06 -0.04 2.02 1.91 2oj2A13 GLN 49 HG2 -0.02 0.00 -0.31 -0.04 2.40 2.04 2oj2A13 GLN 49 HG3 -0.01 0.07 -0.03 -0.04 2.39 2.38 2oj2A13 GLN 49 HE21 -0.01 0.05 -0.04 -0.04 6.97 6.93 2oj2A13 GLN 49 HE22 -0.01 -0.03 -0.05 -0.04 7.69 7.55 2oj2A13 MET 50 H -0.03 0.35 0.25 -0.55 8.47 8.49 2oj2A13 MET 50 HA 0.01 0.31 0.90 -0.75 4.52 4.99 2oj2A13 MET 50 HB2 -0.04 0.03 -0.10 -0.04 2.15 2.00 2oj2A13 MET 50 HB3 0.01 -0.08 -0.38 -0.04 2.03 1.55 2oj2A13 MET 50 HG2 0.01 -0.08 -0.37 -0.04 2.63 2.15 2oj2A13 MET 50 HG3 -0.09 -0.05 -0.72 -0.04 2.56 1.66 2oj2A13 MET 50 HE3 -0.84 0.04 -0.12 -0.04 2.10 1.14 2oj2A13 VAL 51 H 0.02 0.47 0.16 -0.55 8.24 8.35 2oj2A13 VAL 51 HA 0.02 0.17 0.64 -0.75 4.13 4.21 2oj2A13 VAL 51 HB 0.02 0.01 0.20 -0.04 2.12 2.31 2oj2A13 VAL 51 HG13 0.01 0.03 -0.16 -0.04 0.97 0.82 2oj2A13 VAL 51 HG23 0.01 0.01 -0.11 -0.04 0.95 0.82 2oj2A13 VAL 52 H 0.06 0.80 0.18 -0.55 8.24 8.73 2oj2A13 VAL 52 HA 0.13 -0.06 0.22 -0.75 4.13 3.66 2oj2A13 VAL 52 HB 0.05 0.11 0.19 -0.04 2.12 2.43 2oj2A13 VAL 52 HG13 -0.07 0.00 -0.34 -0.04 0.97 0.52 2oj2A13 VAL 52 HG23 0.42 -0.04 -0.15 -0.04 0.95 1.14 2oj2A13 LEU 53 H 0.08 0.69 0.46 -0.55 8.37 9.06 2oj2A13 LEU 53 HA 0.01 0.16 0.77 -0.75 4.35 4.53 2oj2A13 LEU 53 HB2 0.04 -0.05 0.21 -0.04 1.64 1.80 2oj2A13 LEU 53 HB3 0.02 -0.02 0.08 -0.04 1.64 1.68 2oj2A13 LEU 53 HG 0.04 0.16 0.25 -0.04 1.64 2.05 2oj2A13 LEU 53 HD13 0.01 -0.03 -0.04 -0.04 0.93 0.83 2oj2A13 LEU 53 HD23 0.01 -0.02 -0.09 -0.04 0.89 0.75 2oj2A13 GLU 54 H 0.11 0.27 0.29 -0.55 8.60 8.72 2oj2A13 GLU 54 HA 0.02 0.30 0.99 -0.75 4.29 4.84 2oj2A13 GLU 54 HB2 0.16 -0.05 0.12 -0.04 2.09 2.28 2oj2A13 GLU 54 HB3 0.15 -0.02 -0.04 -0.04 1.99 2.04 2oj2A13 GLU 54 HG2 0.05 0.06 0.01 -0.04 2.34 2.42 2oj2A13 GLU 54 HG3 0.05 0.04 -0.20 -0.04 2.34 2.19 2oj2A13 GLU 55 H -0.03 0.30 0.01 -0.55 8.60 8.33 2oj2A13 GLU 55 HA 0.09 0.07 0.81 -0.75 4.29 4.50 2oj2A13 GLU 55 HB2 -0.92 0.01 -0.21 -0.04 2.09 0.94 2oj2A13 GLU 55 HB3 -0.40 0.03 -0.05 -0.04 1.99 1.54 2oj2A13 GLU 55 HG2 -0.32 0.06 -0.36 -0.04 2.34 1.68 2oj2A13 GLU 55 HG3 -0.97 -0.00 -0.37 -0.04 2.34 0.95 2oj2A13 SER 56 H 0.25 0.21 0.03 -0.55 8.46 8.40 2oj2A13 SER 56 HA 0.06 0.15 0.55 -0.75 4.49 4.50 2oj2A13 SER 56 HB2 0.09 0.00 0.12 -0.04 3.95 4.12 2oj2A13 SER 56 HB3 0.12 -0.13 0.13 -0.04 3.93 4.01 2oj2A13 GLY 57 H 0.29 0.03 -0.04 -0.55 8.43 8.15 2oj2A13 GLY 57 HA2 0.16 0.24 0.66 -0.51 4.01 4.56 2oj2A13 GLY 57 HA3 0.15 -0.01 0.28 -0.51 4.01 3.92 2oj2A13 GLU 58 H 0.21 0.03 0.14 -0.55 8.60 8.44 2oj2A13 GLU 58 HA 0.01 0.29 0.95 -0.75 4.29 4.79 2oj2A13 GLU 58 HB2 -0.09 -0.10 0.21 -0.04 2.09 2.07 2oj2A13 GLU 58 HB3 -0.36 -0.04 0.09 -0.04 1.99 1.65 2oj2A13 GLU 58 HG2 0.09 -0.08 -0.03 -0.04 2.34 2.29 2oj2A13 GLU 58 HG3 0.04 0.05 0.03 -0.04 2.34 2.42 2oj2A13 TRP 59 H 0.30 0.05 0.18 -0.55 7.97 7.96 2oj2A13 TRP 59 HA -0.32 0.23 0.66 -0.75 4.62 4.43 2oj2A13 TRP 59 HB2 -0.09 -0.02 0.07 -0.04 3.23 3.14 2oj2A13 TRP 59 HB3 -0.03 0.06 -0.12 -0.04 3.23 3.10 2oj2A13 TRP 59 HD1 -0.05 -0.06 0.11 -0.04 7.22 7.19 2oj2A13 TRP 59 HE1 -0.02 0.06 0.01 -0.04 10.20 10.21 2oj2A13 TRP 59 HE3 -0.09 -0.02 -0.49 -0.04 7.59 6.96 2oj2A13 TRP 59 HZ2 0.17 0.06 -0.02 -0.04 7.44 7.61 2oj2A13 TRP 59 HZ3 -0.38 0.02 -0.00 -0.04 7.13 6.73 2oj2A13 TRP 59 HH2 -0.06 0.03 -0.01 -0.04 7.19 7.11 2oj2A13 TRP 60 H 0.05 0.75 0.43 -0.55 7.97 8.64 2oj2A13 TRP 60 HA 0.17 0.09 0.99 -0.75 4.62 5.11 2oj2A13 TRP 60 HB2 0.05 -0.06 -0.05 -0.04 3.23 3.13 2oj2A13 TRP 60 HB3 0.07 0.25 0.11 -0.04 3.23 3.62 2oj2A13 TRP 60 HD1 0.06 -0.03 -0.85 -0.04 7.22 6.36 2oj2A13 TRP 60 HE1 -0.01 0.26 -0.50 -0.04 10.20 9.90 2oj2A13 TRP 60 HE3 -0.03 -0.04 -0.13 -0.04 7.59 7.35 2oj2A13 TRP 60 HZ2 -0.04 0.05 -0.01 -0.04 7.44 7.40 2oj2A13 TRP 60 HZ3 -0.05 -0.06 -0.11 -0.04 7.13 6.86 2oj2A13 TRP 60 HH2 -0.04 -0.00 -0.04 -0.04 7.19 7.06 2oj2A13 LYS 61 H 0.38 0.60 0.25 -0.55 8.42 9.09 2oj2A13 LYS 61 HA 0.23 0.20 0.73 -0.75 4.32 4.72 2oj2A13 LYS 61 HB2 0.20 -0.01 -0.03 -0.04 1.87 1.99 2oj2A13 LYS 61 HB3 0.16 -0.09 0.22 -0.04 1.79 2.04 2oj2A13 LYS 61 HG2 -0.05 0.11 -0.28 -0.04 1.46 1.20 2oj2A13 LYS 61 HG3 -0.42 -0.04 -0.19 -0.04 1.46 0.77 2oj2A13 LYS 61 HD2 0.00 -0.02 -0.02 -0.04 1.69 1.61 2oj2A13 LYS 61 HD3 -0.01 0.01 -0.09 -0.04 1.68 1.56 2oj2A13 LYS 61 HE2 -0.08 0.03 -0.14 -0.04 2.99 2.76 2oj2A13 LYS 61 HE3 -0.21 -0.01 -0.12 -0.04 2.99 2.60 2oj2A13 ALA 62 H 0.14 0.43 0.20 -0.55 8.40 8.63 2oj2A13 ALA 62 HA 0.08 0.39 0.90 -0.75 4.34 4.96 2oj2A13 ALA 62 HB3 0.09 -0.05 -0.48 -0.04 1.41 0.94 2oj2A13 ARG 63 H 0.04 0.23 0.15 -0.55 8.46 8.33 2oj2A13 ARG 63 HA 0.04 0.22 1.07 -0.75 4.34 4.92 2oj2A13 ARG 63 HB2 0.02 0.01 0.05 -0.04 1.90 1.94 2oj2A13 ARG 63 HB3 0.02 -0.08 0.16 -0.04 1.80 1.86 2oj2A13 ARG 63 HG2 0.03 0.00 -0.33 -0.04 1.67 1.33 2oj2A13 ARG 63 HG3 0.02 0.14 -0.13 -0.04 1.67 1.66 2oj2A13 ARG 63 HD2 0.02 -0.21 -0.26 -0.04 3.22 2.72 2oj2A13 ARG 63 HD3 0.02 0.01 -0.10 -0.04 3.22 3.10 2oj2A13 SER 64 H 0.06 0.18 -0.01 -0.55 8.46 8.15 2oj2A13 SER 64 HA 0.05 0.13 0.41 -0.75 4.49 4.33 2oj2A13 SER 64 HB2 0.10 0.15 0.10 -0.04 3.95 4.25 2oj2A13 SER 64 HB3 0.06 -0.29 0.20 -0.04 3.93 3.86 2oj2A13 LEU 65 H 0.03 0.59 0.38 -0.55 8.37 8.82 2oj2A13 LEU 65 HA 0.02 0.17 0.68 -0.75 4.35 4.48 2oj2A13 LEU 65 HB2 0.01 0.18 0.21 -0.04 1.64 2.00 2oj2A13 LEU 65 HB3 0.01 -0.00 0.23 -0.04 1.64 1.84 2oj2A13 LEU 65 HG 0.01 0.03 0.01 -0.04 1.64 1.65 2oj2A13 LEU 65 HD13 0.01 -0.03 -0.07 -0.04 0.93 0.81 2oj2A13 LEU 65 HD23 0.01 -0.02 -0.08 -0.04 0.89 0.75 2oj2A13 ALA 66 H 0.04 -0.24 -0.58 -0.55 8.40 7.08 2oj2A13 ALA 66 HA 0.02 0.30 0.95 -0.75 4.34 4.86 2oj2A13 ALA 66 HB3 0.04 0.00 0.01 -0.04 1.41 1.42 2oj2A13 THR 67 H 0.04 -0.19 0.07 -0.55 8.28 7.65 2oj2A13 THR 67 HA 0.02 0.30 0.88 -0.75 4.39 4.84 2oj2A13 THR 67 HB 0.03 0.08 0.11 -0.04 4.32 4.50 2oj2A13 THR 67 HG23 0.03 -0.01 -0.16 -0.04 1.22 1.04 2oj2A13 ARG 68 H 0.03 0.06 0.09 -0.55 8.46 8.09 2oj2A13 ARG 68 HA 0.02 0.24 0.37 -0.75 4.34 4.22 2oj2A13 ARG 68 HB2 0.02 0.21 0.16 -0.04 1.90 2.25 2oj2A13 ARG 68 HB3 0.01 -0.03 0.16 -0.04 1.80 1.91 2oj2A13 ARG 68 HG2 0.01 -0.00 -0.10 -0.04 1.67 1.54 2oj2A13 ARG 68 HG3 0.02 -0.08 -0.32 -0.04 1.67 1.25 2oj2A13 ARG 68 HD2 0.01 0.16 -0.26 -0.04 3.22 3.09 2oj2A13 ARG 68 HD3 0.01 -0.02 -0.13 -0.04 3.22 3.04 2oj2A13 LYS 69 H 0.04 -0.20 -0.25 -0.55 8.42 7.45 2oj2A13 LYS 69 HA 0.02 0.20 0.41 -0.75 4.32 4.20 2oj2A13 LYS 69 HB2 0.05 -0.13 0.07 -0.04 1.87 1.83 2oj2A13 LYS 69 HB3 0.04 0.00 0.11 -0.04 1.79 1.89 2oj2A13 LYS 69 HG2 0.02 0.08 0.02 -0.04 1.46 1.54 2oj2A13 LYS 69 HG3 0.03 0.03 -0.11 -0.04 1.46 1.38 2oj2A13 LYS 69 HD2 0.05 -0.06 0.04 -0.04 1.69 1.67 2oj2A13 LYS 69 HD3 0.04 0.02 0.04 -0.04 1.68 1.73 2oj2A13 LYS 69 HE2 0.02 0.05 0.02 -0.04 2.99 3.05 2oj2A13 LYS 69 HE3 0.03 -0.01 0.02 -0.04 2.99 2.98 2oj2A13 GLU 70 H 0.02 0.24 0.14 -0.55 8.60 8.45 2oj2A13 GLU 70 HA 0.02 0.19 0.80 -0.75 4.29 4.54 2oj2A13 GLU 70 HB2 -0.01 -0.01 0.01 -0.04 2.09 2.05 2oj2A13 GLU 70 HB3 -0.03 -0.02 -0.09 -0.04 1.99 1.81 2oj2A13 GLU 70 HG2 0.01 -0.04 -0.08 -0.04 2.34 2.18 2oj2A13 GLU 70 HG3 0.01 0.25 -0.34 -0.04 2.34 2.23 2oj2A13 GLY 71 H 0.02 0.62 0.21 -0.55 8.43 8.73 2oj2A13 GLY 71 HA2 -0.16 0.08 0.35 -0.51 4.01 3.77 2oj2A13 GLY 71 HA3 0.01 0.07 0.17 -0.51 4.01 3.75 2oj2A13 TYR 72 H -0.04 0.18 -0.01 -0.55 8.29 7.86 2oj2A13 TYR 72 HA 0.17 0.18 0.48 -0.75 4.56 4.64 2oj2A13 TYR 72 HB2 0.05 0.26 0.25 -0.04 3.06 3.58 2oj2A13 TYR 72 HB3 0.16 -0.05 -0.05 -0.04 2.98 3.01 2oj2A13 TYR 72 HD2 0.08 0.11 -0.19 -0.04 7.15 7.10 2oj2A13 TYR 72 HE2 0.06 -0.01 -0.04 -0.04 6.85 6.82 2oj2A13 ILE 73 H 0.33 0.95 0.50 -0.55 8.25 9.49 2oj2A13 ILE 73 HA 0.35 0.15 0.91 -0.75 4.18 4.83 2oj2A13 ILE 73 HB -0.07 0.08 0.02 -0.04 1.89 1.87 2oj2A13 ILE 73 HG12 0.06 -0.06 -0.06 -0.04 1.49 1.39 2oj2A13 ILE 73 HG13 0.10 0.08 0.15 -0.04 1.21 1.50 2oj2A13 ILE 73 HG23 0.33 0.04 -0.22 -0.04 0.93 1.04 2oj2A13 ILE 73 HD13 -0.22 0.03 -0.20 -0.04 0.88 0.45 2oj2A13 PRO 74 HA -1.22 0.04 0.53 -0.51 4.44 3.27 2oj2A13 PRO 74 HB2 -0.85 -0.05 -0.05 -0.04 2.28 1.29 2oj2A13 PRO 74 HB3 -2.46 0.05 0.06 -0.04 2.02 -0.36 2oj2A13 PRO 74 HG2 -0.62 0.08 0.03 -0.04 2.03 1.48 2oj2A13 PRO 74 HG3 -0.91 0.04 0.05 -0.04 2.03 1.18 2oj2A13 PRO 74 HD2 -0.06 0.16 0.18 -0.04 3.68 3.92 2oj2A13 PRO 74 HD3 -0.19 0.15 0.22 -0.04 3.65 3.80 2oj2A13 SER 75 H -0.97 0.13 0.08 -0.55 8.46 7.15 2oj2A13 SER 75 HA -0.98 0.16 0.63 -0.75 4.49 3.54 2oj2A13 SER 75 HB2 -3.03 0.04 0.10 -0.04 3.95 1.02 2oj2A13 SER 75 HB3 -1.05 0.08 0.22 -0.04 3.93 3.14 2oj2A13 ASN 76 H -0.50 -0.00 0.01 -0.55 8.53 7.49 2oj2A13 ASN 76 HA -0.10 0.20 0.45 -0.75 4.76 4.55 2oj2A13 ASN 76 HB2 -0.04 0.08 0.13 -0.04 2.88 3.00 2oj2A13 ASN 76 HB3 -0.20 -0.04 0.10 -0.04 2.79 2.61 2oj2A13 ASN 76 HD21 -0.05 0.04 -0.02 -0.04 7.03 6.95 2oj2A13 ASN 76 HD22 -0.08 0.00 -0.07 -0.04 7.74 7.55 2oj2A13 TYR 77 H -0.13 0.02 -1.01 -0.55 8.29 6.62 2oj2A13 TYR 77 HA 0.31 0.24 0.79 -0.75 4.56 5.14 2oj2A13 TYR 77 HB2 -0.18 -0.11 -0.12 -0.04 3.06 2.61 2oj2A13 TYR 77 HB3 0.15 0.01 0.04 -0.04 2.98 3.14 2oj2A13 TYR 77 HD2 0.18 0.01 -0.31 -0.04 7.15 6.99 2oj2A13 TYR 77 HE2 0.04 0.17 -0.11 -0.04 6.85 6.90 2oj2A13 VAL 78 H -0.14 0.55 -0.24 -0.55 8.24 7.87 2oj2A13 VAL 78 HA -0.18 0.28 0.77 -0.75 4.13 4.25 2oj2A13 VAL 78 HB -0.16 -0.10 -0.29 -0.04 2.12 1.52 2oj2A13 VAL 78 HG13 -0.38 0.01 -0.36 -0.04 0.97 0.19 2oj2A13 VAL 78 HG23 -0.27 0.03 -0.08 -0.04 0.95 0.59 2oj2A13 ALA 79 H -0.08 0.27 0.01 -0.55 8.40 8.05 2oj2A13 ALA 79 HA -0.01 0.09 0.68 -0.75 4.34 4.35 2oj2A13 ALA 79 HB3 -0.07 0.06 -0.05 -0.04 1.41 1.31 2oj2A13 ARG 80 H 0.07 0.16 0.08 -0.55 8.46 8.21 2oj2A13 ARG 80 HA 0.04 0.26 0.58 -0.75 4.34 4.47 2oj2A13 ARG 80 HB2 0.05 0.05 0.09 -0.04 1.90 2.05 2oj2A13 ARG 80 HB3 0.02 -0.15 -0.05 -0.04 1.80 1.57 2oj2A13 ARG 80 HG2 0.06 0.12 -0.02 -0.04 1.67 1.79 2oj2A13 ARG 80 HG3 0.09 0.03 0.00 -0.04 1.67 1.75 2oj2A13 ARG 80 HD2 -0.00 -0.05 -0.01 -0.04 3.22 3.11 2oj2A13 ARG 80 HD3 -0.01 -0.05 0.03 -0.04 3.22 3.15 2oj2A13 VAL 81 H 0.00 0.49 0.30 -0.55 8.24 8.49 2oj2A13 VAL 81 HA -0.01 0.16 0.49 -0.75 4.13 4.02 2oj2A13 VAL 81 HB -0.01 -0.02 0.11 -0.04 2.12 2.16 2oj2A13 VAL 81 HG13 -0.01 -0.02 -0.06 -0.04 0.97 0.84 2oj2A13 VAL 81 HG23 -0.01 0.01 0.04 -0.04 0.95 0.95 2oj2A13 ASP 82 H -0.00 0.08 -0.11 -0.55 8.40 7.82 2oj2A13 ASP 82 HA -0.01 0.19 0.61 -0.75 4.63 4.66 2oj2A13 ASP 82 HB2 -0.01 -0.05 0.11 -0.04 2.71 2.72 2oj2A13 ASP 82 HB3 -0.01 0.02 0.01 -0.04 2.70 2.69 2oj2A13 SER 83 H -0.00 0.39 -1.01 -0.55 8.46 7.30 2oj2A13 SER 83 HA 0.00 0.22 0.84 -0.75 4.49 4.79 2oj2A13 SER 83 HB2 0.02 -0.09 -0.09 -0.04 3.95 3.74 2oj2A13 SER 83 HB3 0.01 0.09 -0.01 -0.04 3.93 3.98 2oj2A13 LEU 84 H -0.01 0.21 -0.29 -0.55 8.37 7.73 2oj2A13 LEU 84 HA -0.02 0.13 0.79 -0.75 4.35 4.50 2oj2A13 LEU 84 HB2 -0.01 0.00 0.12 -0.04 1.64 1.71 2oj2A13 LEU 84 HB3 -0.02 -0.03 -0.02 -0.04 1.64 1.53 2oj2A13 LEU 84 HG -0.01 0.02 0.05 -0.04 1.64 1.66 2oj2A13 LEU 84 HD13 -0.02 0.00 0.09 -0.04 0.93 0.96 2oj2A13 LEU 84 HD23 -0.03 0.01 -0.14 -0.04 0.89 0.69 2oj2A13 GLU 85 H -0.01 0.22 0.06 -0.55 8.60 8.32 2oj2A13 GLU 85 HA -0.01 0.15 0.66 -0.75 4.29 4.35 2oj2A13 GLU 85 HB2 -0.01 0.01 0.18 -0.04 2.09 2.23 2oj2A13 GLU 85 HB3 -0.01 0.01 0.09 -0.04 1.99 2.04 2oj2A13 GLU 85 HG2 -0.00 0.03 -0.18 -0.04 2.34 2.14 2oj2A13 GLU 85 HG3 -0.00 0.04 -0.03 -0.04 2.34 2.30 2oj2A13 THR 86 H -0.01 0.36 -0.04 -0.55 8.28 8.04 2oj2A13 THR 86 HA -0.01 0.06 0.13 -0.75 4.39 3.82 2oj2A13 THR 86 HB -0.01 0.09 -0.28 -0.04 4.32 4.09 2oj2A13 THR 86 HG23 -0.01 0.00 0.03 -0.04 1.22 1.20