============================================================================= 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 -15.862 -45.052 -4.440 -99.200 -91.000 TYR 32 0.840 7.534 5.169 -7.653 -99.200 -91.000 TYR 34 0.840 0.127 1.911 -1.247 -99.200 -91.000 HIS 38 0.900 -5.038 5.688 -0.123 -99.200 -91.000 HIS 39 0.900 -10.445 3.605 4.132 -99.200 -91.000 PHE 44 1.000 2.161 -1.376 -3.773 -99.200 -91.000 TRP 59 1.040 -6.008 4.991 -5.789 -99.200 -91.000 TRP6 59 1.020 -4.198 4.833 -4.302 -99.200 -91.000 TRP 60 1.040 -5.710 0.335 -11.947 -99.200 -91.000 TRP6 60 1.020 -3.702 0.101 -13.141 -99.200 -91.000 TYR 72 0.840 -10.411 -1.466 -4.236 -99.200 -91.000 TYR 77 0.840 3.732 4.817 -4.634 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2oj2A4 GLY 1 HA2 0.00 -0.06 0.19 -0.51 4.01 3.63 2oj2A4 GLY 1 HA3 0.00 -0.01 0.13 -0.51 4.01 3.61 2oj2A4 PRO 2 HA 0.00 0.04 0.55 -0.51 4.44 4.52 2oj2A4 PRO 2 HB2 0.00 0.02 -0.10 -0.04 2.28 2.16 2oj2A4 PRO 2 HB3 0.00 -0.00 0.06 -0.04 2.02 2.04 2oj2A4 PRO 2 HG2 0.00 0.04 0.04 -0.04 2.03 2.06 2oj2A4 PRO 2 HG3 0.00 0.01 0.05 -0.04 2.03 2.05 2oj2A4 PRO 2 HD2 0.00 0.10 0.16 -0.04 3.68 3.90 2oj2A4 PRO 2 HD3 0.00 0.10 0.15 -0.04 3.65 3.86 2oj2A4 LEU 3 H 0.00 0.02 0.17 -0.55 8.37 8.01 2oj2A4 LEU 3 HA 0.00 0.19 0.77 -0.75 4.35 4.55 2oj2A4 LEU 3 HB2 0.00 -0.08 0.21 -0.04 1.64 1.73 2oj2A4 LEU 3 HB3 0.00 0.13 0.09 -0.04 1.64 1.81 2oj2A4 LEU 3 HG 0.00 -0.03 0.03 -0.04 1.64 1.60 2oj2A4 LEU 3 HD13 0.00 -0.00 0.02 -0.04 0.93 0.91 2oj2A4 LEU 3 HD23 0.00 0.02 -0.12 -0.04 0.89 0.75 2oj2A4 GLY 4 H 0.00 -0.00 0.12 -0.55 8.43 8.00 2oj2A4 GLY 4 HA2 0.00 -0.02 0.33 -0.51 4.01 3.82 2oj2A4 GLY 4 HA3 0.00 0.22 0.73 -0.51 4.01 4.45 2oj2A4 SER 5 H 0.00 0.23 0.13 -0.55 8.46 8.27 2oj2A4 SER 5 HA 0.00 0.16 0.68 -0.75 4.49 4.58 2oj2A4 SER 5 HB2 0.00 -0.11 -0.02 -0.04 3.95 3.78 2oj2A4 SER 5 HB3 0.00 0.14 0.01 -0.04 3.93 4.04 2oj2A4 PRO 6 HA 0.00 0.12 0.51 -0.51 4.44 4.56 2oj2A4 PRO 6 HB2 0.00 -0.02 0.07 -0.04 2.28 2.29 2oj2A4 PRO 6 HB3 0.00 0.03 0.09 -0.04 2.02 2.10 2oj2A4 PRO 6 HG2 0.00 0.03 0.01 -0.04 2.03 2.03 2oj2A4 PRO 6 HG3 0.00 0.05 0.04 -0.04 2.03 2.07 2oj2A4 PRO 6 HD2 0.00 0.11 0.17 -0.04 3.68 3.92 2oj2A4 PRO 6 HD3 0.00 0.16 0.11 -0.04 3.65 3.89 2oj2A4 GLY 7 H 0.01 0.08 0.01 -0.55 8.43 7.98 2oj2A4 GLY 7 HA2 0.01 0.03 0.40 -0.51 4.01 3.94 2oj2A4 GLY 7 HA3 0.01 0.12 0.49 -0.51 4.01 4.11 2oj2A4 PRO 8 HA 0.01 0.12 0.52 -0.51 4.44 4.59 2oj2A4 PRO 8 HB2 0.03 0.01 -0.00 -0.04 2.28 2.28 2oj2A4 PRO 8 HB3 0.02 0.03 0.09 -0.04 2.02 2.12 2oj2A4 PRO 8 HG2 0.01 0.03 0.00 -0.04 2.03 2.04 2oj2A4 PRO 8 HG3 0.01 0.04 0.04 -0.04 2.03 2.09 2oj2A4 PRO 8 HD2 0.01 0.13 0.16 -0.04 3.68 3.94 2oj2A4 PRO 8 HD3 0.01 0.09 0.14 -0.04 3.65 3.85 2oj2A4 ASN 9 H 0.03 0.16 0.06 -0.55 8.53 8.24 2oj2A4 ASN 9 HA 0.03 0.21 1.03 -0.75 4.76 5.27 2oj2A4 ASN 9 HB2 0.01 -0.04 0.05 -0.04 2.88 2.86 2oj2A4 ASN 9 HB3 0.02 0.01 0.20 -0.04 2.79 2.98 2oj2A4 ASN 9 HD21 0.03 0.22 -0.09 -0.04 7.03 7.16 2oj2A4 ASN 9 HD22 0.02 -0.06 0.00 -0.04 7.74 7.66 2oj2A4 SER 10 H 0.03 0.14 0.00 -0.55 8.46 8.09 2oj2A4 SER 10 HA 0.05 0.02 0.33 -0.75 4.49 4.14 2oj2A4 SER 10 HB2 0.02 -0.00 0.04 -0.04 3.95 3.97 2oj2A4 SER 10 HB3 0.01 0.02 0.06 -0.04 3.93 3.97 2oj2A4 HIS 11 H -0.05 0.27 0.27 -0.55 8.41 8.35 2oj2A4 HIS 11 HA 0.00 0.07 0.43 -0.75 4.63 4.38 2oj2A4 HIS 11 HB2 0.00 -0.04 0.17 -0.04 3.26 3.36 2oj2A4 HIS 11 HB3 0.00 0.29 -0.26 -0.04 3.20 3.19 2oj2A4 HIS 11 HD2 0.00 -0.02 -0.16 -0.04 6.97 6.74 2oj2A4 HIS 11 HE1 0.00 -0.02 -0.04 -0.04 7.75 7.64 2oj2A4 ASN 12 H 0.10 0.33 0.22 -0.55 8.53 8.63 2oj2A4 ASN 12 HA -0.17 0.09 0.49 -0.75 4.76 4.41 2oj2A4 ASN 12 HB2 -0.06 -0.03 -0.38 -0.04 2.88 2.37 2oj2A4 ASN 12 HB3 -0.02 -0.00 -0.13 -0.04 2.79 2.60 2oj2A4 ASN 12 HD21 -0.03 -0.02 -0.05 -0.04 7.03 6.89 2oj2A4 ASN 12 HD22 -0.04 0.00 0.01 -0.04 7.74 7.67 2oj2A4 SER 13 H -0.01 0.31 0.19 -0.55 8.46 8.41 2oj2A4 SER 13 HA 0.02 0.10 0.52 -0.75 4.49 4.37 2oj2A4 SER 13 HB2 0.07 -0.05 -0.13 -0.04 3.95 3.80 2oj2A4 SER 13 HB3 0.03 0.00 -0.03 -0.04 3.93 3.90 2oj2A4 ASN 14 H 0.01 0.32 0.17 -0.55 8.53 8.49 2oj2A4 ASN 14 HA 0.01 0.07 0.54 -0.75 4.76 4.62 2oj2A4 ASN 14 HB2 -0.00 -0.02 -0.32 -0.04 2.88 2.49 2oj2A4 ASN 14 HB3 0.00 0.05 -0.10 -0.04 2.79 2.69 2oj2A4 ASN 14 HD21 0.00 0.31 -0.02 -0.04 7.03 7.28 2oj2A4 ASN 14 HD22 0.00 -0.04 0.06 -0.04 7.74 7.72 2oj2A4 THR 15 H 0.00 0.10 0.16 -0.55 8.28 8.00 2oj2A4 THR 15 HA 0.01 0.09 0.57 -0.75 4.39 4.30 2oj2A4 THR 15 HB 0.00 0.04 0.09 -0.04 4.32 4.42 2oj2A4 THR 15 HG23 0.01 -0.00 0.04 -0.04 1.22 1.22 2oj2A4 PRO 16 HA 0.00 0.15 0.46 -0.51 4.44 4.54 2oj2A4 PRO 16 HB2 0.00 -0.05 0.11 -0.04 2.28 2.31 2oj2A4 PRO 16 HB3 0.00 0.05 0.12 -0.04 2.02 2.15 2oj2A4 PRO 16 HG2 0.00 0.04 -0.03 -0.04 2.03 2.00 2oj2A4 PRO 16 HG3 0.00 0.05 0.07 -0.04 2.03 2.11 2oj2A4 PRO 16 HD2 0.00 0.07 0.14 -0.04 3.68 3.85 2oj2A4 PRO 16 HD3 0.00 0.16 0.25 -0.04 3.65 4.02 2oj2A4 GLY 17 H 0.00 0.12 0.09 -0.55 8.43 8.09 2oj2A4 GLY 17 HA2 0.00 0.12 0.47 -0.51 4.01 4.09 2oj2A4 GLY 17 HA3 0.00 -0.01 0.38 -0.51 4.01 3.87 2oj2A4 ILE 18 H 0.00 0.43 0.23 -0.55 8.25 8.36 2oj2A4 ILE 18 HA 0.00 0.08 0.63 -0.75 4.18 4.14 2oj2A4 ILE 18 HB 0.00 0.05 0.07 -0.04 1.89 1.97 2oj2A4 ILE 18 HG12 0.00 0.00 -0.04 -0.04 1.49 1.41 2oj2A4 ILE 18 HG13 0.00 -0.01 -0.21 -0.04 1.21 0.95 2oj2A4 ILE 18 HG23 0.00 -0.02 -0.13 -0.04 0.93 0.74 2oj2A4 ILE 18 HD13 0.00 -0.01 -0.01 -0.04 0.88 0.82 2oj2A4 ARG 19 H 0.00 0.20 0.20 -0.55 8.46 8.31 2oj2A4 ARG 19 HA 0.00 0.22 0.97 -0.75 4.34 4.78 2oj2A4 ARG 19 HB2 -0.00 0.00 0.05 -0.04 1.90 1.90 2oj2A4 ARG 19 HB3 -0.00 0.05 -0.10 -0.04 1.80 1.70 2oj2A4 ARG 19 HG2 0.00 -0.02 0.08 -0.04 1.67 1.70 2oj2A4 ARG 19 HG3 0.00 -0.01 -0.15 -0.04 1.67 1.47 2oj2A4 ARG 19 HD2 -0.00 -0.02 -0.05 -0.04 3.22 3.10 2oj2A4 ARG 19 HD3 -0.00 0.01 -0.04 -0.04 3.22 3.14 2oj2A4 GLU 20 H -0.00 0.30 0.19 -0.55 8.60 8.54 2oj2A4 GLU 20 HA 0.00 0.12 0.60 -0.75 4.29 4.26 2oj2A4 GLU 20 HB2 0.00 -0.04 -0.33 -0.04 2.09 1.69 2oj2A4 GLU 20 HB3 0.00 0.10 -0.12 -0.04 1.99 1.93 2oj2A4 GLU 20 HG2 0.00 0.07 0.20 -0.04 2.34 2.57 2oj2A4 GLU 20 HG3 0.00 -0.00 0.00 -0.04 2.34 2.30 2oj2A4 ALA 21 H 0.00 0.16 0.14 -0.55 8.40 8.16 2oj2A4 ALA 21 HA -0.00 0.02 0.69 -0.75 4.34 4.29 2oj2A4 ALA 21 HB3 -0.00 0.03 0.07 -0.04 1.41 1.47 2oj2A4 GLY 22 H -0.00 -0.06 0.23 -0.55 8.43 8.06 2oj2A4 GLY 22 HA2 -0.00 0.22 0.92 -0.51 4.01 4.63 2oj2A4 GLY 22 HA3 -0.00 -0.03 0.29 -0.51 4.01 3.76 2oj2A4 SER 23 H -0.01 -0.08 0.17 -0.55 8.46 8.00 2oj2A4 SER 23 HA -0.01 0.09 0.31 -0.75 4.49 4.13 2oj2A4 SER 23 HB2 -0.01 -0.03 0.15 -0.04 3.95 4.02 2oj2A4 SER 23 HB3 -0.01 -0.05 0.14 -0.04 3.93 3.97 2oj2A4 GLU 24 H -0.01 0.03 0.09 -0.55 8.60 8.16 2oj2A4 GLU 24 HA -0.02 -0.08 0.39 -0.75 4.29 3.82 2oj2A4 GLU 24 HB2 -0.01 0.25 0.25 -0.04 2.09 2.53 2oj2A4 GLU 24 HB3 -0.02 -0.01 0.05 -0.04 1.99 1.96 2oj2A4 GLU 24 HG2 -0.01 -0.16 -0.65 -0.04 2.34 1.48 2oj2A4 GLU 24 HG3 -0.02 0.03 -0.13 -0.04 2.34 2.18 2oj2A4 ASP 25 H -0.02 0.07 -0.03 -0.55 8.40 7.87 2oj2A4 ASP 25 HA -0.01 0.24 0.53 -0.75 4.63 4.64 2oj2A4 ASP 25 HB2 -0.01 -0.09 0.05 -0.04 2.71 2.62 2oj2A4 ASP 25 HB3 -0.00 -0.04 -0.04 -0.04 2.70 2.58 2oj2A4 ILE 26 H -0.02 0.44 0.07 -0.55 8.25 8.19 2oj2A4 ILE 26 HA -0.03 0.06 0.66 -0.75 4.18 4.11 2oj2A4 ILE 26 HB -0.07 0.11 0.16 -0.04 1.89 2.05 2oj2A4 ILE 26 HG12 -0.08 -0.07 -0.05 -0.04 1.49 1.25 2oj2A4 ILE 26 HG13 -0.17 0.05 -0.02 -0.04 1.21 1.02 2oj2A4 ILE 26 HG23 -0.06 -0.01 -0.12 -0.04 0.93 0.70 2oj2A4 ILE 26 HD13 -0.09 0.00 -0.00 -0.04 0.88 0.75 2oj2A4 ILE 27 H -0.00 0.22 0.29 -0.55 8.25 8.22 2oj2A4 ILE 27 HA 0.02 0.37 0.79 -0.75 4.18 4.60 2oj2A4 ILE 27 HB -0.00 -0.10 0.18 -0.04 1.89 1.92 2oj2A4 ILE 27 HG12 -0.00 0.22 0.07 -0.04 1.49 1.74 2oj2A4 ILE 27 HG13 -0.00 0.01 0.03 -0.04 1.21 1.20 2oj2A4 ILE 27 HG23 -0.00 0.01 -0.08 -0.04 0.93 0.81 2oj2A4 ILE 27 HD13 0.00 0.01 -0.19 -0.04 0.88 0.66 2oj2A4 VAL 28 H 0.01 0.43 0.30 -0.55 8.24 8.43 2oj2A4 VAL 28 HA 0.01 0.11 0.65 -0.75 4.13 4.15 2oj2A4 VAL 28 HB 0.03 -0.04 -0.24 -0.04 2.12 1.83 2oj2A4 VAL 28 HG13 0.23 0.02 -0.45 -0.04 0.97 0.73 2oj2A4 VAL 28 HG23 0.04 0.01 -0.06 -0.04 0.95 0.90 2oj2A4 VAL 29 H -0.05 0.57 0.02 -0.55 8.24 8.23 2oj2A4 VAL 29 HA -0.08 0.34 0.81 -0.75 4.13 4.44 2oj2A4 VAL 29 HB -0.05 -0.06 -0.00 -0.04 2.12 1.97 2oj2A4 VAL 29 HG13 -0.08 0.05 -0.09 -0.04 0.97 0.81 2oj2A4 VAL 29 HG23 -0.05 0.03 -0.21 -0.04 0.95 0.68 2oj2A4 ALA 30 H -0.12 0.63 0.32 -0.55 8.40 8.69 2oj2A4 ALA 30 HA -0.25 0.24 0.63 -0.75 4.34 4.20 2oj2A4 ALA 30 HB3 -0.02 -0.03 0.07 -0.04 1.41 1.40 2oj2A4 LEU 31 H -0.26 0.92 0.09 -0.55 8.37 8.57 2oj2A4 LEU 31 HA -0.45 0.12 0.53 -0.75 4.35 3.80 2oj2A4 LEU 31 HB2 -0.78 -0.03 -0.19 -0.04 1.64 0.60 2oj2A4 LEU 31 HB3 -1.37 -0.02 -0.03 -0.04 1.64 0.18 2oj2A4 LEU 31 HG -0.24 -0.09 -0.54 -0.04 1.64 0.72 2oj2A4 LEU 31 HD13 -0.12 0.03 -0.16 -0.04 0.93 0.64 2oj2A4 LEU 31 HD23 -0.22 0.01 -0.18 -0.04 0.89 0.46 2oj2A4 TYR 32 H -0.17 0.28 -0.02 -0.55 8.29 7.83 2oj2A4 TYR 32 HA -0.09 0.09 0.61 -0.75 4.56 4.41 2oj2A4 TYR 32 HB2 -1.25 0.01 -0.06 -0.04 3.06 1.72 2oj2A4 TYR 32 HB3 -0.31 0.01 0.06 -0.04 2.98 2.70 2oj2A4 TYR 32 HD2 -0.73 -0.05 0.01 -0.04 7.15 6.34 2oj2A4 TYR 32 HE2 -0.14 0.15 0.04 -0.04 6.85 6.85 2oj2A4 ASP 33 H 0.13 0.15 0.13 -0.55 8.40 8.26 2oj2A4 ASP 33 HA 0.19 -0.15 0.35 -0.75 4.63 4.27 2oj2A4 ASP 33 HB2 0.09 0.04 0.09 -0.04 2.71 2.89 2oj2A4 ASP 33 HB3 0.06 0.10 0.08 -0.04 2.70 2.90 2oj2A4 TYR 34 H -0.07 0.63 0.21 -0.55 8.29 8.51 2oj2A4 TYR 34 HA -0.11 0.13 0.82 -0.75 4.56 4.65 2oj2A4 TYR 34 HB2 -0.32 0.19 -0.15 -0.04 3.06 2.74 2oj2A4 TYR 34 HB3 -2.84 -0.14 0.15 -0.04 2.98 0.11 2oj2A4 TYR 34 HD2 -0.55 0.08 0.09 -0.04 7.15 6.72 2oj2A4 TYR 34 HE2 -0.08 0.13 0.02 -0.04 6.85 6.88 2oj2A4 GLU 35 H -0.50 0.20 -0.02 -0.55 8.60 7.73 2oj2A4 GLU 35 HA -0.25 0.17 0.99 -0.75 4.29 4.45 2oj2A4 GLU 35 HB2 -0.16 -0.05 0.02 -0.04 2.09 1.86 2oj2A4 GLU 35 HB3 -0.18 0.10 0.18 -0.04 1.99 2.05 2oj2A4 GLU 35 HG2 -0.10 0.02 0.04 -0.04 2.34 2.26 2oj2A4 GLU 35 HG3 -0.08 -0.03 -0.06 -0.04 2.34 2.14 2oj2A4 ALA 36 H -0.74 0.11 -0.34 -0.55 8.40 6.89 2oj2A4 ALA 36 HA -0.33 -0.04 0.11 -0.75 4.34 3.32 2oj2A4 ALA 36 HB3 -0.08 0.04 -0.30 -0.04 1.41 1.03 2oj2A4 ILE 37 H -0.83 -0.03 -0.05 -0.55 8.25 6.80 2oj2A4 ILE 37 HA -0.20 0.16 0.42 -0.75 4.18 3.80 2oj2A4 ILE 37 HB -0.18 -0.11 0.10 -0.04 1.89 1.65 2oj2A4 ILE 37 HG12 -0.19 0.07 -0.05 -0.04 1.49 1.28 2oj2A4 ILE 37 HG13 -0.67 -0.11 -0.04 -0.04 1.21 0.35 2oj2A4 ILE 37 HG23 0.15 0.01 -0.13 -0.04 0.93 0.92 2oj2A4 ILE 37 HD13 0.12 0.01 -0.01 -0.04 0.88 0.95 2oj2A4 HIS 38 H -0.63 -0.07 -0.10 -0.55 8.41 7.06 2oj2A4 HIS 38 HA -0.08 0.17 0.45 -0.75 4.63 4.42 2oj2A4 HIS 38 HB2 -0.39 -0.02 -0.15 -0.04 3.26 2.66 2oj2A4 HIS 38 HB3 -0.32 -0.00 0.08 -0.04 3.20 2.92 2oj2A4 HIS 38 HD2 -1.16 0.04 -0.09 -0.04 6.97 5.72 2oj2A4 HIS 38 HE1 0.14 0.03 -0.04 -0.04 7.75 7.84 2oj2A4 HIS 39 H -0.29 0.03 0.08 -0.55 8.41 7.69 2oj2A4 HIS 39 HA -0.00 0.28 0.66 -0.75 4.63 4.81 2oj2A4 HIS 39 HB2 0.00 0.04 0.02 -0.04 3.26 3.28 2oj2A4 HIS 39 HB3 -0.00 0.06 0.07 -0.04 3.20 3.28 2oj2A4 HIS 39 HD2 0.01 0.05 -0.01 -0.04 6.97 6.98 2oj2A4 HIS 39 HE1 -0.06 0.03 0.04 -0.04 7.75 7.70 2oj2A4 GLU 40 H -0.72 0.02 0.01 -0.55 8.60 7.37 2oj2A4 GLU 40 HA 0.03 0.23 0.70 -0.75 4.29 4.50 2oj2A4 GLU 40 HB2 0.16 0.02 0.12 -0.04 2.09 2.35 2oj2A4 GLU 40 HB3 0.09 0.02 0.09 -0.04 1.99 2.15 2oj2A4 GLU 40 HG2 -0.32 -0.08 0.09 -0.04 2.34 2.00 2oj2A4 GLU 40 HG3 0.12 -0.01 0.15 -0.04 2.34 2.55 2oj2A4 ASP 41 H 0.01 0.66 -0.23 -0.55 8.40 8.29 2oj2A4 ASP 41 HA 0.15 0.08 0.71 -0.75 4.63 4.82 2oj2A4 ASP 41 HB2 -0.09 -0.02 -0.38 -0.04 2.71 2.18 2oj2A4 ASP 41 HB3 0.25 0.09 -0.10 -0.04 2.70 2.90 2oj2A4 LEU 42 H 0.24 0.95 0.05 -0.55 8.37 9.06 2oj2A4 LEU 42 HA 0.11 0.15 0.65 -0.75 4.35 4.51 2oj2A4 LEU 42 HB2 0.12 -0.14 -0.15 -0.04 1.64 1.43 2oj2A4 LEU 42 HB3 0.26 0.02 -0.21 -0.04 1.64 1.67 2oj2A4 LEU 42 HG 0.17 0.06 -0.01 -0.04 1.64 1.82 2oj2A4 LEU 42 HD13 0.06 -0.01 -0.21 -0.04 0.93 0.73 2oj2A4 LEU 42 HD23 0.13 0.02 -0.13 -0.04 0.89 0.86 2oj2A4 SER 43 H 0.12 0.17 0.14 -0.55 8.46 8.34 2oj2A4 SER 43 HA -0.02 0.02 0.94 -0.75 4.49 4.68 2oj2A4 SER 43 HB2 0.00 -0.02 0.10 -0.04 3.95 4.00 2oj2A4 SER 43 HB3 -0.06 0.11 0.10 -0.04 3.93 4.04 2oj2A4 PHE 44 H -0.45 0.61 0.39 -0.55 8.34 8.34 2oj2A4 PHE 44 HA 0.08 0.12 0.70 -0.75 4.62 4.76 2oj2A4 PHE 44 HB2 0.08 -0.08 0.14 -0.04 3.15 3.24 2oj2A4 PHE 44 HB3 0.09 0.02 -0.18 -0.04 3.06 2.96 2oj2A4 PHE 44 HD2 0.14 -0.02 -0.41 -0.04 7.28 6.95 2oj2A4 PHE 44 HE2 0.02 0.13 -0.02 -0.04 7.38 7.47 2oj2A4 PHE 44 HZ -0.38 -0.02 -0.01 -0.04 7.32 6.86 2oj2A4 GLN 45 H 0.31 0.16 0.19 -0.55 8.47 8.59 2oj2A4 GLN 45 HA 0.16 0.11 1.01 -0.75 4.36 4.88 2oj2A4 GLN 45 HB2 0.10 -0.01 -0.04 -0.04 2.15 2.15 2oj2A4 GLN 45 HB3 0.08 0.09 -0.03 -0.04 2.02 2.12 2oj2A4 GLN 45 HG2 0.05 0.02 -0.00 -0.04 2.40 2.43 2oj2A4 GLN 45 HG3 0.07 0.01 -0.46 -0.04 2.39 1.97 2oj2A4 GLN 45 HE21 0.05 -0.01 -0.14 -0.04 6.97 6.82 2oj2A4 GLN 45 HE22 0.03 0.04 -0.07 -0.04 7.69 7.65 2oj2A4 LYS 46 H 0.11 0.12 0.04 -0.55 8.42 8.13 2oj2A4 LYS 46 HA 0.05 0.08 0.07 -0.75 4.32 3.76 2oj2A4 LYS 46 HB2 0.05 -0.31 0.01 -0.04 1.87 1.57 2oj2A4 LYS 46 HB3 0.03 0.01 0.13 -0.04 1.79 1.92 2oj2A4 LYS 46 HG2 -0.12 0.20 -0.38 -0.04 1.46 1.12 2oj2A4 LYS 46 HG3 -0.10 0.25 -0.20 -0.04 1.46 1.37 2oj2A4 LYS 46 HD2 -0.01 -0.06 -0.01 -0.04 1.69 1.57 2oj2A4 LYS 46 HD3 -0.02 -0.03 -0.16 -0.04 1.68 1.42 2oj2A4 LYS 46 HE2 -0.11 0.07 -0.08 -0.04 2.99 2.83 2oj2A4 LYS 46 HE3 -0.07 0.02 -0.00 -0.04 2.99 2.90 2oj2A4 GLY 47 H -0.01 0.21 0.38 -0.55 8.43 8.46 2oj2A4 GLY 47 HA2 -0.03 0.05 0.30 -0.51 4.01 3.81 2oj2A4 GLY 47 HA3 -0.00 0.17 0.82 -0.51 4.01 4.48 2oj2A4 ASP 48 H 0.04 0.48 0.25 -0.55 8.40 8.63 2oj2A4 ASP 48 HA 0.02 0.16 0.62 -0.75 4.63 4.68 2oj2A4 ASP 48 HB2 0.13 0.05 0.26 -0.04 2.71 3.11 2oj2A4 ASP 48 HB3 0.06 -0.01 0.00 -0.04 2.70 2.72 2oj2A4 GLN 49 H 0.01 0.16 0.22 -0.55 8.47 8.31 2oj2A4 GLN 49 HA -0.04 0.33 1.00 -0.75 4.36 4.89 2oj2A4 GLN 49 HB2 -0.00 -0.00 0.10 -0.04 2.15 2.20 2oj2A4 GLN 49 HB3 -0.01 0.00 -0.04 -0.04 2.02 1.93 2oj2A4 GLN 49 HG2 -0.02 0.03 -0.41 -0.04 2.40 1.95 2oj2A4 GLN 49 HG3 -0.01 0.06 -0.04 -0.04 2.39 2.36 2oj2A4 GLN 49 HE21 -0.03 0.04 -0.45 -0.04 6.97 6.48 2oj2A4 GLN 49 HE22 -0.02 -0.04 -0.21 -0.04 7.69 7.38 2oj2A4 MET 50 H -0.03 0.38 0.26 -0.55 8.47 8.53 2oj2A4 MET 50 HA 0.01 0.34 0.92 -0.75 4.52 5.04 2oj2A4 MET 50 HB2 -0.04 0.02 -0.11 -0.04 2.15 1.98 2oj2A4 MET 50 HB3 0.02 -0.07 -0.39 -0.04 2.03 1.55 2oj2A4 MET 50 HG2 0.01 -0.06 -0.37 -0.04 2.63 2.17 2oj2A4 MET 50 HG3 -0.09 -0.08 -0.67 -0.04 2.56 1.68 2oj2A4 MET 50 HE3 -0.87 0.03 -0.16 -0.04 2.10 1.06 2oj2A4 VAL 51 H 0.03 0.50 0.17 -0.55 8.24 8.39 2oj2A4 VAL 51 HA 0.02 0.16 0.64 -0.75 4.13 4.20 2oj2A4 VAL 51 HB 0.02 0.00 0.21 -0.04 2.12 2.32 2oj2A4 VAL 51 HG13 0.01 0.04 -0.14 -0.04 0.97 0.85 2oj2A4 VAL 51 HG23 0.01 0.02 -0.10 -0.04 0.95 0.84 2oj2A4 VAL 52 H 0.06 0.76 0.14 -0.55 8.24 8.65 2oj2A4 VAL 52 HA 0.14 -0.07 0.19 -0.75 4.13 3.63 2oj2A4 VAL 52 HB 0.05 0.14 0.21 -0.04 2.12 2.48 2oj2A4 VAL 52 HG13 -0.06 -0.01 -0.34 -0.04 0.97 0.52 2oj2A4 VAL 52 HG23 0.41 -0.04 -0.15 -0.04 0.95 1.14 2oj2A4 LEU 53 H 0.09 0.68 0.40 -0.55 8.37 9.00 2oj2A4 LEU 53 HA 0.02 0.16 0.81 -0.75 4.35 4.59 2oj2A4 LEU 53 HB2 0.05 -0.05 0.20 -0.04 1.64 1.80 2oj2A4 LEU 53 HB3 0.03 -0.03 0.08 -0.04 1.64 1.68 2oj2A4 LEU 53 HG 0.04 0.18 0.26 -0.04 1.64 2.08 2oj2A4 LEU 53 HD13 0.02 -0.03 -0.04 -0.04 0.93 0.84 2oj2A4 LEU 53 HD23 0.02 -0.02 -0.09 -0.04 0.89 0.76 2oj2A4 GLU 54 H 0.12 0.30 0.28 -0.55 8.60 8.76 2oj2A4 GLU 54 HA 0.03 0.27 1.00 -0.75 4.29 4.84 2oj2A4 GLU 54 HB2 0.17 -0.03 0.15 -0.04 2.09 2.34 2oj2A4 GLU 54 HB3 0.16 -0.03 -0.01 -0.04 1.99 2.07 2oj2A4 GLU 54 HG2 0.05 0.04 0.02 -0.04 2.34 2.41 2oj2A4 GLU 54 HG3 0.06 0.05 -0.19 -0.04 2.34 2.21 2oj2A4 GLU 55 H -0.04 0.26 -0.02 -0.55 8.60 8.25 2oj2A4 GLU 55 HA 0.15 0.16 0.82 -0.75 4.29 4.66 2oj2A4 GLU 55 HB2 -0.88 0.00 -0.17 -0.04 2.09 1.00 2oj2A4 GLU 55 HB3 -0.48 0.02 0.02 -0.04 1.99 1.51 2oj2A4 GLU 55 HG2 -0.59 0.03 -0.16 -0.04 2.34 1.58 2oj2A4 GLU 55 HG3 -2.74 0.02 -0.04 -0.04 2.34 -0.46 2oj2A4 SER 56 H 0.16 0.20 -0.12 -0.55 8.46 8.16 2oj2A4 SER 56 HA 0.03 0.24 0.92 -0.75 4.49 4.92 2oj2A4 SER 56 HB2 0.07 -0.06 0.07 -0.04 3.95 4.00 2oj2A4 SER 56 HB3 0.06 0.01 0.24 -0.04 3.93 4.20 2oj2A4 GLY 57 H 0.17 0.35 -0.35 -0.55 8.43 8.06 2oj2A4 GLY 57 HA2 0.15 0.05 0.23 -0.51 4.01 3.92 2oj2A4 GLY 57 HA3 0.17 0.11 0.81 -0.51 4.01 4.58 2oj2A4 GLU 58 H 0.18 0.11 0.12 -0.55 8.60 8.47 2oj2A4 GLU 58 HA 0.06 0.17 0.58 -0.75 4.29 4.34 2oj2A4 GLU 58 HB2 -0.09 -0.04 0.17 -0.04 2.09 2.09 2oj2A4 GLU 58 HB3 -0.41 -0.08 0.06 -0.04 1.99 1.52 2oj2A4 GLU 58 HG2 -0.06 0.03 0.03 -0.04 2.34 2.31 2oj2A4 GLU 58 HG3 0.04 0.03 -0.03 -0.04 2.34 2.34 2oj2A4 TRP 59 H 0.32 0.05 0.05 -0.55 7.97 7.85 2oj2A4 TRP 59 HA -0.36 0.22 0.70 -0.75 4.62 4.43 2oj2A4 TRP 59 HB2 -0.12 0.01 -0.00 -0.04 3.23 3.08 2oj2A4 TRP 59 HB3 -0.05 0.03 -0.13 -0.04 3.23 3.03 2oj2A4 TRP 59 HD1 -0.06 -0.04 0.08 -0.04 7.22 7.16 2oj2A4 TRP 59 HE1 -0.02 0.05 -0.00 -0.04 10.20 10.19 2oj2A4 TRP 59 HE3 -0.12 -0.03 -0.57 -0.04 7.59 6.83 2oj2A4 TRP 59 HZ2 0.16 0.05 -0.03 -0.04 7.44 7.58 2oj2A4 TRP 59 HZ3 -0.42 0.03 -0.03 -0.04 7.13 6.67 2oj2A4 TRP 59 HH2 -0.00 0.03 -0.03 -0.04 7.19 7.15 2oj2A4 TRP 60 H 0.01 0.56 0.37 -0.55 7.97 8.36 2oj2A4 TRP 60 HA 0.16 0.16 0.98 -0.75 4.62 5.17 2oj2A4 TRP 60 HB2 0.05 -0.08 -0.07 -0.04 3.23 3.09 2oj2A4 TRP 60 HB3 0.07 0.16 0.04 -0.04 3.23 3.45 2oj2A4 TRP 60 HD1 0.05 0.06 -0.92 -0.04 7.22 6.37 2oj2A4 TRP 60 HE1 -0.02 0.60 0.14 -0.04 10.20 10.88 2oj2A4 TRP 60 HE3 -0.03 -0.04 -0.12 -0.04 7.59 7.36 2oj2A4 TRP 60 HZ2 -0.04 -0.00 0.02 -0.04 7.44 7.38 2oj2A4 TRP 60 HZ3 -0.05 -0.06 -0.10 -0.04 7.13 6.88 2oj2A4 TRP 60 HH2 -0.05 0.00 -0.02 -0.04 7.19 7.08 2oj2A4 LYS 61 H 0.38 0.73 0.30 -0.55 8.42 9.29 2oj2A4 LYS 61 HA 0.24 0.17 0.63 -0.75 4.32 4.60 2oj2A4 LYS 61 HB2 0.25 0.01 -0.02 -0.04 1.87 2.06 2oj2A4 LYS 61 HB3 0.18 -0.10 0.23 -0.04 1.79 2.07 2oj2A4 LYS 61 HG2 -0.03 0.09 -0.30 -0.04 1.46 1.18 2oj2A4 LYS 61 HG3 -0.35 -0.02 -0.18 -0.04 1.46 0.87 2oj2A4 LYS 61 HD2 0.03 -0.03 -0.01 -0.04 1.69 1.64 2oj2A4 LYS 61 HD3 0.01 0.02 -0.08 -0.04 1.68 1.58 2oj2A4 LYS 61 HE2 -0.05 0.04 -0.11 -0.04 2.99 2.83 2oj2A4 LYS 61 HE3 -0.18 -0.01 -0.13 -0.04 2.99 2.63 2oj2A4 ALA 62 H 0.15 0.44 0.17 -0.55 8.40 8.61 2oj2A4 ALA 62 HA 0.09 0.39 0.87 -0.75 4.34 4.94 2oj2A4 ALA 62 HB3 0.10 -0.04 -0.48 -0.04 1.41 0.94 2oj2A4 ARG 63 H 0.04 0.24 0.14 -0.55 8.46 8.33 2oj2A4 ARG 63 HA 0.04 0.21 1.06 -0.75 4.34 4.90 2oj2A4 ARG 63 HB2 0.02 0.01 0.07 -0.04 1.90 1.96 2oj2A4 ARG 63 HB3 0.03 -0.08 0.18 -0.04 1.80 1.88 2oj2A4 ARG 63 HG2 0.03 -0.01 -0.32 -0.04 1.67 1.33 2oj2A4 ARG 63 HG3 0.02 0.18 -0.09 -0.04 1.67 1.73 2oj2A4 ARG 63 HD2 0.02 -0.22 -0.27 -0.04 3.22 2.72 2oj2A4 ARG 63 HD3 0.02 -0.01 -0.08 -0.04 3.22 3.12 2oj2A4 SER 64 H 0.06 0.18 -0.01 -0.55 8.46 8.15 2oj2A4 SER 64 HA 0.05 0.14 0.43 -0.75 4.49 4.35 2oj2A4 SER 64 HB2 0.09 0.10 0.14 -0.04 3.95 4.23 2oj2A4 SER 64 HB3 0.06 -0.41 0.15 -0.04 3.93 3.69 2oj2A4 LEU 65 H 0.03 0.58 0.40 -0.55 8.37 8.83 2oj2A4 LEU 65 HA 0.02 0.18 0.71 -0.75 4.35 4.50 2oj2A4 LEU 65 HB2 0.01 0.14 0.24 -0.04 1.64 1.99 2oj2A4 LEU 65 HB3 0.01 -0.00 0.24 -0.04 1.64 1.85 2oj2A4 LEU 65 HG 0.01 0.03 0.01 -0.04 1.64 1.66 2oj2A4 LEU 65 HD13 0.02 -0.01 -0.09 -0.04 0.93 0.81 2oj2A4 LEU 65 HD23 0.01 -0.02 -0.08 -0.04 0.89 0.76 2oj2A4 ALA 66 H 0.04 -0.22 -0.55 -0.55 8.40 7.12 2oj2A4 ALA 66 HA 0.03 0.30 0.96 -0.75 4.34 4.87 2oj2A4 ALA 66 HB3 0.04 0.00 0.02 -0.04 1.41 1.43 2oj2A4 THR 67 H 0.04 -0.17 0.08 -0.55 8.28 7.68 2oj2A4 THR 67 HA 0.02 0.31 0.87 -0.75 4.39 4.84 2oj2A4 THR 67 HB 0.03 0.08 0.14 -0.04 4.32 4.52 2oj2A4 THR 67 HG23 0.04 0.01 -0.15 -0.04 1.22 1.08 2oj2A4 ARG 68 H 0.03 0.06 0.06 -0.55 8.46 8.06 2oj2A4 ARG 68 HA 0.02 0.24 0.39 -0.75 4.34 4.24 2oj2A4 ARG 68 HB2 0.02 0.20 0.04 -0.04 1.90 2.11 2oj2A4 ARG 68 HB3 0.01 -0.02 0.17 -0.04 1.80 1.93 2oj2A4 ARG 68 HG2 0.01 0.01 -0.06 -0.04 1.67 1.59 2oj2A4 ARG 68 HG3 0.02 -0.11 -0.32 -0.04 1.67 1.22 2oj2A4 ARG 68 HD2 0.01 0.03 -0.12 -0.04 3.22 3.10 2oj2A4 ARG 68 HD3 0.01 -0.01 -0.10 -0.04 3.22 3.08 2oj2A4 LYS 69 H 0.04 -0.22 -0.43 -0.55 8.42 7.25 2oj2A4 LYS 69 HA 0.02 0.18 0.39 -0.75 4.32 4.16 2oj2A4 LYS 69 HB2 0.05 -0.13 0.07 -0.04 1.87 1.83 2oj2A4 LYS 69 HB3 0.04 -0.01 0.11 -0.04 1.79 1.89 2oj2A4 LYS 69 HG2 0.02 0.07 0.04 -0.04 1.46 1.55 2oj2A4 LYS 69 HG3 0.03 0.10 -0.05 -0.04 1.46 1.49 2oj2A4 LYS 69 HD2 0.03 0.01 0.03 -0.04 1.69 1.72 2oj2A4 LYS 69 HD3 0.05 -0.05 0.05 -0.04 1.68 1.68 2oj2A4 LYS 69 HE2 0.03 -0.00 0.04 -0.04 2.99 3.01 2oj2A4 LYS 69 HE3 0.02 0.04 0.03 -0.04 2.99 3.04 2oj2A4 GLU 70 H 0.01 0.23 0.14 -0.55 8.60 8.44 2oj2A4 GLU 70 HA 0.02 0.19 0.79 -0.75 4.29 4.53 2oj2A4 GLU 70 HB2 -0.01 -0.01 0.02 -0.04 2.09 2.05 2oj2A4 GLU 70 HB3 -0.03 -0.03 -0.09 -0.04 1.99 1.81 2oj2A4 GLU 70 HG2 0.01 -0.05 -0.08 -0.04 2.34 2.18 2oj2A4 GLU 70 HG3 0.01 0.30 -0.31 -0.04 2.34 2.30 2oj2A4 GLY 71 H 0.02 0.62 0.21 -0.55 8.43 8.73 2oj2A4 GLY 71 HA2 -0.18 0.07 0.37 -0.51 4.01 3.76 2oj2A4 GLY 71 HA3 0.00 0.07 0.20 -0.51 4.01 3.76 2oj2A4 TYR 72 H -0.12 0.18 -0.01 -0.55 8.29 7.78 2oj2A4 TYR 72 HA 0.16 0.19 0.40 -0.75 4.56 4.55 2oj2A4 TYR 72 HB2 0.03 0.26 0.20 -0.04 3.06 3.51 2oj2A4 TYR 72 HB3 0.15 -0.04 -0.08 -0.04 2.98 2.97 2oj2A4 TYR 72 HD2 0.06 0.13 -0.19 -0.04 7.15 7.12 2oj2A4 TYR 72 HE2 0.06 -0.01 -0.04 -0.04 6.85 6.81 2oj2A4 ILE 73 H 0.31 0.72 0.44 -0.55 8.25 9.17 2oj2A4 ILE 73 HA 0.28 0.18 0.86 -0.75 4.18 4.74 2oj2A4 ILE 73 HB -0.05 0.07 -0.04 -0.04 1.89 1.83 2oj2A4 ILE 73 HG12 0.07 -0.05 -0.08 -0.04 1.49 1.39 2oj2A4 ILE 73 HG13 0.09 0.10 0.16 -0.04 1.21 1.51 2oj2A4 ILE 73 HG23 0.33 0.07 -0.22 -0.04 0.93 1.07 2oj2A4 ILE 73 HD13 -0.20 0.02 -0.26 -0.04 0.88 0.39 2oj2A4 PRO 74 HA -1.38 0.04 0.54 -0.51 4.44 3.13 2oj2A4 PRO 74 HB2 -0.81 -0.04 -0.05 -0.04 2.28 1.34 2oj2A4 PRO 74 HB3 -2.33 0.06 0.04 -0.04 2.02 -0.25 2oj2A4 PRO 74 HG2 -0.60 0.08 0.05 -0.04 2.03 1.52 2oj2A4 PRO 74 HG3 -0.86 0.04 0.05 -0.04 2.03 1.23 2oj2A4 PRO 74 HD2 -0.08 0.15 0.15 -0.04 3.68 3.86 2oj2A4 PRO 74 HD3 -0.35 0.17 0.19 -0.04 3.65 3.62 2oj2A4 SER 75 H -1.04 0.24 0.10 -0.55 8.46 7.22 2oj2A4 SER 75 HA -1.02 0.10 0.45 -0.75 4.49 3.26 2oj2A4 SER 75 HB2 -3.32 0.07 0.17 -0.04 3.95 0.83 2oj2A4 SER 75 HB3 -0.98 0.02 0.23 -0.04 3.93 3.16 2oj2A4 ASN 76 H -0.54 0.01 -0.16 -0.55 8.53 7.30 2oj2A4 ASN 76 HA -0.11 0.19 0.46 -0.75 4.76 4.54 2oj2A4 ASN 76 HB2 -0.05 0.06 0.12 -0.04 2.88 2.97 2oj2A4 ASN 76 HB3 -0.23 -0.05 0.07 -0.04 2.79 2.54 2oj2A4 ASN 76 HD21 -0.04 0.03 -0.02 -0.04 7.03 6.95 2oj2A4 ASN 76 HD22 -0.04 0.01 -0.08 -0.04 7.74 7.58 2oj2A4 TYR 77 H -0.15 0.19 -0.96 -0.55 8.29 6.82 2oj2A4 TYR 77 HA 0.26 0.21 0.82 -0.75 4.56 5.10 2oj2A4 TYR 77 HB2 -0.18 -0.06 -0.04 -0.04 3.06 2.74 2oj2A4 TYR 77 HB3 0.14 -0.01 0.08 -0.04 2.98 3.15 2oj2A4 TYR 77 HD2 0.22 0.03 -0.29 -0.04 7.15 7.08 2oj2A4 TYR 77 HE2 0.06 0.16 -0.09 -0.04 6.85 6.94 2oj2A4 VAL 78 H -0.15 0.51 -0.18 -0.55 8.24 7.86 2oj2A4 VAL 78 HA -0.20 0.25 0.77 -0.75 4.13 4.20 2oj2A4 VAL 78 HB -0.17 -0.11 -0.32 -0.04 2.12 1.48 2oj2A4 VAL 78 HG13 -0.42 0.11 -0.36 -0.04 0.97 0.26 2oj2A4 VAL 78 HG23 -0.28 0.04 -0.10 -0.04 0.95 0.57 2oj2A4 ALA 79 H -0.09 0.29 0.03 -0.55 8.40 8.08 2oj2A4 ALA 79 HA -0.01 0.09 0.70 -0.75 4.34 4.36 2oj2A4 ALA 79 HB3 -0.07 0.06 -0.06 -0.04 1.41 1.30 2oj2A4 ARG 80 H 0.07 0.16 0.08 -0.55 8.46 8.22 2oj2A4 ARG 80 HA 0.04 0.21 0.56 -0.75 4.34 4.40 2oj2A4 ARG 80 HB2 0.04 0.05 0.10 -0.04 1.90 2.05 2oj2A4 ARG 80 HB3 0.01 -0.14 -0.05 -0.04 1.80 1.59 2oj2A4 ARG 80 HG2 0.05 0.08 -0.04 -0.04 1.67 1.72 2oj2A4 ARG 80 HG3 0.08 0.02 0.01 -0.04 1.67 1.74 2oj2A4 ARG 80 HD2 -0.01 -0.02 -0.01 -0.04 3.22 3.14 2oj2A4 ARG 80 HD3 -0.02 -0.05 0.02 -0.04 3.22 3.14 2oj2A4 VAL 81 H 0.00 0.64 0.34 -0.55 8.24 8.67 2oj2A4 VAL 81 HA -0.02 0.13 0.47 -0.75 4.13 3.96 2oj2A4 VAL 81 HB -0.01 -0.01 0.11 -0.04 2.12 2.17 2oj2A4 VAL 81 HG13 -0.01 -0.02 -0.07 -0.04 0.97 0.83 2oj2A4 VAL 81 HG23 -0.01 0.01 0.04 -0.04 0.95 0.94 2oj2A4 ASP 82 H -0.00 0.06 -0.19 -0.55 8.40 7.72 2oj2A4 ASP 82 HA -0.01 0.18 0.62 -0.75 4.63 4.66 2oj2A4 ASP 82 HB2 -0.01 -0.07 0.11 -0.04 2.71 2.70 2oj2A4 ASP 82 HB3 -0.01 0.02 0.03 -0.04 2.70 2.70 2oj2A4 SER 83 H -0.00 0.49 -0.89 -0.55 8.46 7.51 2oj2A4 SER 83 HA -0.00 0.23 0.90 -0.75 4.49 4.86 2oj2A4 SER 83 HB2 0.01 -0.15 -0.08 -0.04 3.95 3.70 2oj2A4 SER 83 HB3 0.01 0.08 0.00 -0.04 3.93 3.98 2oj2A4 LEU 84 H -0.01 0.14 -0.23 -0.55 8.37 7.72 2oj2A4 LEU 84 HA -0.02 0.13 0.78 -0.75 4.35 4.48 2oj2A4 LEU 84 HB2 -0.01 0.03 0.05 -0.04 1.64 1.66 2oj2A4 LEU 84 HB3 -0.02 -0.11 0.11 -0.04 1.64 1.58 2oj2A4 LEU 84 HG -0.02 0.03 0.01 -0.04 1.64 1.62 2oj2A4 LEU 84 HD13 -0.02 -0.02 0.08 -0.04 0.93 0.93 2oj2A4 LEU 84 HD23 -0.04 0.04 -0.12 -0.04 0.89 0.73 2oj2A4 GLU 85 H -0.02 0.05 0.06 -0.55 8.60 8.15 2oj2A4 GLU 85 HA -0.01 -0.07 0.39 -0.75 4.29 3.85 2oj2A4 GLU 85 HB2 -0.01 -0.06 -0.20 -0.04 2.09 1.77 2oj2A4 GLU 85 HB3 -0.01 0.18 0.14 -0.04 1.99 2.26 2oj2A4 GLU 85 HG2 -0.01 -0.04 0.05 -0.04 2.34 2.30 2oj2A4 GLU 85 HG3 -0.01 -0.03 -0.01 -0.04 2.34 2.25 2oj2A4 THR 86 H -0.01 0.13 0.02 -0.55 8.28 7.87 2oj2A4 THR 86 HA -0.00 0.14 0.22 -0.75 4.39 3.99 2oj2A4 THR 86 HB -0.01 0.32 -0.30 -0.04 4.32 4.29 2oj2A4 THR 86 HG23 -0.01 -0.01 -0.11 -0.04 1.22 1.05