============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 3 rings ring int. center anis. iso. TYR 15 0.840 3.325 20.528 -4.345 -99.200 -91.000 PHE 24 1.000 -1.733 -4.069 -2.757 -99.200 -91.000 HIS 41 0.900 -11.869 -11.351 -1.366 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2osgB1 MET 84 HA -0.01 -0.03 0.12 -0.75 4.52 3.85 2osgB1 MET 84 HB2 -0.01 -0.01 0.05 -0.04 2.15 2.14 2osgB1 MET 84 HB3 -0.01 -0.01 0.16 -0.04 2.03 2.13 2osgB1 MET 84 HG2 -0.00 -0.01 0.05 -0.04 2.63 2.62 2osgB1 MET 84 HG3 -0.01 -0.00 0.05 -0.04 2.56 2.55 2osgB1 MET 84 HE3 -0.00 -0.00 0.02 -0.04 2.10 2.07 2osgB1 ILE 85 H -0.01 0.29 0.14 -0.55 8.25 8.11 2osgB1 ILE 85 HA -0.01 0.13 0.83 -0.75 4.18 4.38 2osgB1 ILE 85 HB -0.01 0.01 0.04 -0.04 1.89 1.89 2osgB1 ILE 85 HG12 -0.01 -0.00 -0.06 -0.04 1.49 1.38 2osgB1 ILE 85 HG13 -0.01 0.02 0.07 -0.04 1.21 1.24 2osgB1 ILE 85 HG23 -0.01 -0.00 -0.21 -0.04 0.93 0.67 2osgB1 ILE 85 HD13 -0.01 -0.01 -0.24 -0.04 0.88 0.58 2osgB1 GLY 86 H -0.01 0.20 0.17 -0.55 8.43 8.25 2osgB1 GLY 86 HA2 -0.01 0.20 0.93 -0.51 4.01 4.62 2osgB1 GLY 86 HA3 -0.01 0.02 0.26 -0.51 4.01 3.77 2osgB1 VAL 87 H -0.02 0.22 0.15 -0.55 8.24 8.04 2osgB1 VAL 87 HA -0.01 0.17 0.92 -0.75 4.13 4.45 2osgB1 VAL 87 HB -0.02 -0.02 0.02 -0.04 2.12 2.06 2osgB1 VAL 87 HG13 -0.01 -0.01 -0.12 -0.04 0.97 0.80 2osgB1 VAL 87 HG23 -0.01 0.05 -0.25 -0.04 0.95 0.70 2osgB1 LEU 88 H -0.01 0.20 0.10 -0.55 8.37 8.11 2osgB1 LEU 88 HA -0.03 0.14 0.85 -0.75 4.35 4.56 2osgB1 LEU 88 HB2 -0.01 0.00 0.01 -0.04 1.64 1.60 2osgB1 LEU 88 HB3 0.00 -0.00 0.16 -0.04 1.64 1.76 2osgB1 LEU 88 HG 0.00 0.06 -0.06 -0.04 1.64 1.60 2osgB1 LEU 88 HD13 0.01 -0.00 -0.03 -0.04 0.93 0.86 2osgB1 LEU 88 HD23 0.02 -0.01 -0.26 -0.04 0.89 0.60 2osgB1 LEU 89 H -0.06 0.19 0.15 -0.55 8.37 8.11 2osgB1 LEU 89 HA 0.05 0.15 0.81 -0.75 4.35 4.61 2osgB1 LEU 89 HB2 -0.08 0.00 0.03 -0.04 1.64 1.55 2osgB1 LEU 89 HB3 -0.12 -0.01 -0.05 -0.04 1.64 1.41 2osgB1 LEU 89 HG 0.16 0.06 0.06 -0.04 1.64 1.87 2osgB1 LEU 89 HD13 0.03 0.01 -0.08 -0.04 0.93 0.85 2osgB1 LEU 89 HD23 0.07 -0.00 -0.04 -0.04 0.89 0.87 2osgB1 MET 90 H 0.14 0.19 0.16 -0.55 8.47 8.41 2osgB1 MET 90 HA 0.22 0.17 0.91 -0.75 4.52 5.07 2osgB1 MET 90 HB2 0.07 0.02 -0.07 -0.04 2.15 2.13 2osgB1 MET 90 HB3 0.06 0.02 0.02 -0.04 2.03 2.08 2osgB1 MET 90 HG2 0.02 0.32 -0.03 -0.04 2.63 2.90 2osgB1 MET 90 HG3 0.05 -0.12 0.13 -0.04 2.56 2.58 2osgB1 MET 90 HE3 0.01 -0.00 0.03 -0.04 2.10 2.09 2osgB1 LYS 91 H 0.02 0.12 0.13 -0.55 8.42 8.14 2osgB1 LYS 91 HA -0.38 0.13 0.54 -0.75 4.32 3.86 2osgB1 LYS 91 HB2 -0.21 -0.07 -0.01 -0.04 1.87 1.53 2osgB1 LYS 91 HB3 -0.29 0.01 0.03 -0.04 1.79 1.50 2osgB1 LYS 91 HG2 -0.05 0.02 0.02 -0.04 1.46 1.41 2osgB1 LYS 91 HG3 -0.03 -0.01 0.13 -0.04 1.46 1.50 2osgB1 LYS 91 HD2 -0.04 0.04 -0.10 -0.04 1.69 1.55 2osgB1 LYS 91 HD3 -0.08 -0.08 -0.39 -0.04 1.68 1.09 2osgB1 LYS 91 HE2 -0.04 -0.00 -0.05 -0.04 2.99 2.86 2osgB1 LYS 91 HE3 -0.05 -0.02 -0.05 -0.04 2.99 2.83 2osgB1 SER 92 H -0.14 0.13 -0.09 -0.55 8.46 7.81 2osgB1 SER 92 HA -0.04 0.06 0.46 -0.75 4.49 4.21 2osgB1 SER 92 HB2 -0.02 0.06 -0.45 -0.04 3.95 3.50 2osgB1 SER 92 HB3 -0.03 0.05 0.13 -0.04 3.93 4.04 2osgB1 ARG 93 H -0.06 0.07 -0.01 -0.55 8.46 7.91 2osgB1 ARG 93 HA -0.04 -0.06 0.37 -0.75 4.34 3.85 2osgB1 ARG 93 HB2 -0.03 0.20 -0.20 -0.04 1.90 1.83 2osgB1 ARG 93 HB3 -0.02 0.02 0.13 -0.04 1.80 1.88 2osgB1 ARG 93 HG2 -0.02 -0.02 0.04 -0.04 1.67 1.62 2osgB1 ARG 93 HG3 -0.02 -0.02 -0.07 -0.04 1.67 1.51 2osgB1 ARG 93 HD2 -0.01 0.03 -0.03 -0.04 3.22 3.16 2osgB1 ARG 93 HD3 -0.02 0.02 0.00 -0.04 3.22 3.18 2osgB1 ALA 94 H -0.06 0.04 -0.02 -0.55 8.40 7.81 2osgB1 ALA 94 HA -0.03 0.25 0.66 -0.75 4.34 4.46 2osgB1 ALA 94 HB3 -0.08 0.04 -0.11 -0.04 1.41 1.23 2osgB1 ASN 95 H -0.03 0.06 -0.03 -0.55 8.53 7.98 2osgB1 ASN 95 HA -0.02 0.01 0.39 -0.75 4.76 4.38 2osgB1 ASN 95 HB2 -0.01 -0.02 -0.20 -0.04 2.88 2.61 2osgB1 ASN 95 HB3 -0.01 0.17 0.30 -0.04 2.79 3.21 2osgB1 ASN 95 HD21 -0.01 0.01 -0.02 -0.04 7.03 6.97 2osgB1 ASN 95 HD22 -0.00 -0.01 -0.01 -0.04 7.74 7.67 2osgB1 GLU 96 H -0.02 0.81 0.24 -0.55 8.60 9.08 2osgB1 GLU 96 HA -0.02 -0.04 0.53 -0.75 4.29 4.00 2osgB1 GLU 96 HB2 -0.00 -0.03 0.01 -0.04 2.09 2.02 2osgB1 GLU 96 HB3 -0.01 0.10 -0.02 -0.04 1.99 2.02 2osgB1 GLU 96 HG2 -0.00 -0.05 -0.14 -0.04 2.34 2.11 2osgB1 GLU 96 HG3 -0.00 0.06 0.14 -0.04 2.34 2.50 2osgB1 GLU 97 H -0.03 0.05 0.03 -0.55 8.60 8.10 2osgB1 GLU 97 HA 0.02 0.00 0.35 -0.75 4.29 3.91 2osgB1 GLU 97 HB2 0.03 0.01 -0.14 -0.04 2.09 1.95 2osgB1 GLU 97 HB3 0.04 0.25 0.14 -0.04 1.99 2.37 2osgB1 GLU 97 HG2 0.14 -0.27 0.18 -0.04 2.34 2.35 2osgB1 GLU 97 HG3 0.12 0.04 0.13 -0.04 2.34 2.58 2osgB1 TYR 98 H 0.29 0.12 0.14 -0.55 8.29 8.29 2osgB1 TYR 98 HA 0.00 0.09 0.37 -0.75 4.56 4.27 2osgB1 TYR 98 HB2 0.00 -0.06 0.11 -0.04 3.06 3.07 2osgB1 TYR 98 HB3 0.00 0.07 -0.00 -0.04 2.98 3.01 2osgB1 TYR 98 HD2 0.00 -0.01 -0.00 -0.04 7.15 7.10 2osgB1 TYR 98 HE2 0.00 0.03 -0.29 -0.04 6.85 6.55 2osgB1 GLY 99 H 0.11 -0.04 -0.21 -0.55 8.43 7.74 2osgB1 GLY 99 HA2 0.04 0.04 0.22 -0.51 4.01 3.81 2osgB1 GLY 99 HA3 0.04 0.21 0.63 -0.51 4.01 4.38 2osgB1 LEU 100 H 0.08 -0.04 -0.05 -0.55 8.37 7.81 2osgB1 LEU 100 HA 0.03 0.20 0.83 -0.75 4.35 4.66 2osgB1 LEU 100 HB2 0.02 -0.09 0.06 -0.04 1.64 1.58 2osgB1 LEU 100 HB3 -0.00 0.03 -0.11 -0.04 1.64 1.52 2osgB1 LEU 100 HG 0.03 0.09 -0.12 -0.04 1.64 1.60 2osgB1 LEU 100 HD13 0.08 -0.03 -0.20 -0.04 0.93 0.73 2osgB1 LEU 100 HD23 -0.02 0.00 -0.05 -0.04 0.89 0.78 2osgB1 ARG 101 H 0.01 0.23 0.11 -0.55 8.46 8.26 2osgB1 ARG 101 HA 0.01 0.14 0.87 -0.75 4.34 4.61 2osgB1 ARG 101 HB2 0.01 0.02 0.11 -0.04 1.90 2.00 2osgB1 ARG 101 HB3 0.01 0.00 -0.04 -0.04 1.80 1.73 2osgB1 ARG 101 HG2 0.01 0.02 -0.02 -0.04 1.67 1.64 2osgB1 ARG 101 HG3 0.02 -0.00 -0.17 -0.04 1.67 1.47 2osgB1 ARG 101 HD2 0.01 -0.01 -0.03 -0.04 3.22 3.14 2osgB1 ARG 101 HD3 0.01 0.00 -0.04 -0.04 3.22 3.15 2osgB1 LEU 102 H 0.01 0.21 0.12 -0.55 8.37 8.16 2osgB1 LEU 102 HA 0.00 0.14 0.95 -0.75 4.35 4.69 2osgB1 LEU 102 HB2 -0.00 0.06 0.06 -0.04 1.64 1.71 2osgB1 LEU 102 HB3 -0.01 -0.03 -0.04 -0.04 1.64 1.52 2osgB1 LEU 102 HG 0.00 0.06 -0.06 -0.04 1.64 1.60 2osgB1 LEU 102 HD13 -0.01 -0.00 0.01 -0.04 0.93 0.88 2osgB1 LEU 102 HD23 0.00 -0.00 0.13 -0.04 0.89 0.98 2osgB1 GLY 103 H 0.01 0.13 0.13 -0.55 8.43 8.14 2osgB1 GLY 103 HA2 0.01 0.21 0.82 -0.51 4.01 4.54 2osgB1 GLY 103 HA3 0.01 0.00 0.34 -0.51 4.01 3.86 2osgB1 SER 104 H 0.02 0.18 0.23 -0.55 8.46 8.34 2osgB1 SER 104 HA 0.04 0.18 0.77 -0.75 4.49 4.73 2osgB1 SER 104 HB2 0.04 0.02 -0.08 -0.04 3.95 3.90 2osgB1 SER 104 HB3 0.03 0.10 -0.02 -0.04 3.93 4.00 2osgB1 GLN 105 H 0.09 0.27 0.18 -0.55 8.47 8.46 2osgB1 GLN 105 HA 0.06 0.12 1.06 -0.75 4.36 4.84 2osgB1 GLN 105 HB2 0.09 0.12 -0.02 -0.04 2.15 2.29 2osgB1 GLN 105 HB3 0.05 0.00 -0.03 -0.04 2.02 2.00 2osgB1 GLN 105 HG2 0.07 -0.09 0.05 -0.04 2.40 2.38 2osgB1 GLN 105 HG3 0.11 0.03 -0.04 -0.04 2.39 2.45 2osgB1 GLN 105 HE21 -0.03 0.00 -0.01 -0.04 6.97 6.89 2osgB1 GLN 105 HE22 -0.02 0.01 -0.02 -0.04 7.69 7.62 2osgB1 ILE 106 H 0.05 0.59 0.28 -0.55 8.25 8.62 2osgB1 ILE 106 HA -0.02 0.05 0.74 -0.75 4.18 4.19 2osgB1 ILE 106 HB 0.00 0.04 0.15 -0.04 1.89 2.04 2osgB1 ILE 106 HG12 -0.02 -0.04 -0.23 -0.04 1.49 1.16 2osgB1 ILE 106 HG13 0.01 0.03 -0.09 -0.04 1.21 1.13 2osgB1 ILE 106 HG23 -0.08 0.01 -0.06 -0.04 0.93 0.76 2osgB1 ILE 106 HD13 -0.01 -0.03 -0.15 -0.04 0.88 0.65 2osgB1 PHE 107 H -0.34 0.15 0.21 -0.55 8.34 7.82 2osgB1 PHE 107 HA 0.01 0.21 1.02 -0.75 4.62 5.11 2osgB1 PHE 107 HB2 0.01 -0.05 -0.38 -0.04 3.15 2.69 2osgB1 PHE 107 HB3 0.01 -0.02 -0.30 -0.04 3.06 2.70 2osgB1 PHE 107 HD2 0.00 0.07 -0.23 -0.04 7.28 7.08 2osgB1 PHE 107 HE2 0.00 0.01 -0.03 -0.04 7.38 7.33 2osgB1 PHE 107 HZ 0.00 -0.01 -0.01 -0.04 7.32 7.26 2osgB1 VAL 108 H 0.21 0.40 0.08 -0.55 8.24 8.38 2osgB1 VAL 108 HA -0.03 0.09 0.55 -0.75 4.13 4.00 2osgB1 VAL 108 HB 0.09 0.06 0.03 -0.04 2.12 2.26 2osgB1 VAL 108 HG13 0.01 0.00 -0.34 -0.04 0.97 0.61 2osgB1 VAL 108 HG23 0.05 0.00 -0.10 -0.04 0.95 0.86 2osgB1 LYS 109 H -0.15 0.27 0.18 -0.55 8.42 8.17 2osgB1 LYS 109 HA 0.16 0.09 0.40 -0.75 4.32 4.21 2osgB1 LYS 109 HB2 -0.22 0.04 0.15 -0.04 1.87 1.79 2osgB1 LYS 109 HB3 -0.06 0.02 0.06 -0.04 1.79 1.77 2osgB1 LYS 109 HG2 0.03 0.01 -0.02 -0.04 1.46 1.44 2osgB1 LYS 109 HG3 0.07 0.01 0.02 -0.04 1.46 1.52 2osgB1 LYS 109 HD2 -0.17 -0.01 0.03 -0.04 1.69 1.50 2osgB1 LYS 109 HD3 -0.04 0.00 -0.01 -0.04 1.68 1.60 2osgB1 LYS 109 HE2 0.11 0.02 -0.00 -0.04 2.99 3.08 2osgB1 LYS 109 HE3 -0.13 -0.01 0.01 -0.04 2.99 2.82 2osgB1 GLU 110 H -0.02 0.15 -0.01 -0.55 8.60 8.18 2osgB1 GLU 110 HA -0.00 0.09 0.48 -0.75 4.29 4.10 2osgB1 GLU 110 HB2 -0.01 0.04 -0.02 -0.04 2.09 2.06 2osgB1 GLU 110 HB3 0.01 0.16 -0.06 -0.04 1.99 2.06 2osgB1 GLU 110 HG2 -0.02 -0.13 -0.05 -0.04 2.34 2.10 2osgB1 GLU 110 HG3 -0.01 0.01 -0.11 -0.04 2.34 2.19 2osgB1 MET 111 H -0.02 0.19 0.09 -0.55 8.47 8.18 2osgB1 MET 111 HA -0.02 0.22 0.91 -0.75 4.52 4.87 2osgB1 MET 111 HB2 -0.03 0.02 -0.11 -0.04 2.15 1.99 2osgB1 MET 111 HB3 -0.02 -0.05 0.04 -0.04 2.03 1.97 2osgB1 MET 111 HG2 -0.01 0.02 -0.14 -0.04 2.63 2.46 2osgB1 MET 111 HG3 -0.01 -0.08 -0.53 -0.04 2.56 1.90 2osgB1 MET 111 HE3 -0.04 -0.02 -0.09 -0.04 2.10 1.91 2osgB1 THR 112 H -0.01 0.11 0.11 -0.55 8.28 7.95 2osgB1 THR 112 HA -0.01 0.10 0.58 -0.75 4.39 4.31 2osgB1 THR 112 HB -0.01 0.15 -0.01 -0.04 4.32 4.40 2osgB1 THR 112 HG23 -0.01 0.02 0.01 -0.04 1.22 1.20 2osgB1 ARG 113 H -0.01 0.17 0.20 -0.55 8.46 8.26 2osgB1 ARG 113 HA -0.01 -0.01 0.40 -0.75 4.34 3.96 2osgB1 ARG 113 HB2 -0.01 0.02 0.07 -0.04 1.90 1.93 2osgB1 ARG 113 HB3 -0.01 0.05 0.13 -0.04 1.80 1.93 2osgB1 ARG 113 HG2 -0.01 0.03 0.07 -0.04 1.67 1.73 2osgB1 ARG 113 HG3 -0.01 -0.05 0.07 -0.04 1.67 1.65 2osgB1 ARG 113 HD2 -0.01 0.02 -0.19 -0.04 3.22 3.00 2osgB1 ARG 113 HD3 -0.01 0.01 -0.03 -0.04 3.22 3.15 2osgB1 THR 114 H -0.01 0.12 0.17 -0.55 8.28 8.01 2osgB1 THR 114 HA -0.00 0.05 0.32 -0.75 4.39 4.00 2osgB1 THR 114 HB -0.00 0.18 0.20 -0.04 4.32 4.65 2osgB1 THR 114 HG23 -0.00 0.00 0.10 -0.04 1.22 1.28 2osgB1 GLY 115 H -0.01 -0.01 -0.14 -0.55 8.43 7.73 2osgB1 GLY 115 HA2 -0.00 0.29 0.77 -0.51 4.01 4.56 2osgB1 GLY 115 HA3 -0.01 0.04 0.33 -0.51 4.01 3.86 2osgB1 LEU 116 H -0.00 0.22 0.19 -0.55 8.37 8.23 2osgB1 LEU 116 HA 0.00 0.18 0.52 -0.75 4.35 4.30 2osgB1 LEU 116 HB2 -0.00 0.03 0.19 -0.04 1.64 1.81 2osgB1 LEU 116 HB3 0.00 0.03 0.00 -0.04 1.64 1.64 2osgB1 LEU 116 HG 0.00 0.02 0.08 -0.04 1.64 1.70 2osgB1 LEU 116 HD13 0.00 0.02 0.05 -0.04 0.93 0.96 2osgB1 LEU 116 HD23 0.00 0.01 0.03 -0.04 0.89 0.89 2osgB1 ALA 117 H -0.00 0.09 -0.06 -0.55 8.40 7.88 2osgB1 ALA 117 HA 0.01 0.13 0.55 -0.75 4.34 4.27 2osgB1 ALA 117 HB3 -0.00 0.04 0.07 -0.04 1.41 1.47 2osgB1 THR 118 H -0.00 0.04 -0.29 -0.55 8.28 7.48 2osgB1 THR 118 HA -0.01 0.16 0.52 -0.75 4.39 4.30 2osgB1 THR 118 HB -0.01 0.08 -0.01 -0.04 4.32 4.34 2osgB1 THR 118 HG23 -0.03 -0.01 -0.06 -0.04 1.22 1.08 2osgB1 LYS 119 H 0.00 0.26 -0.25 -0.55 8.42 7.88 2osgB1 LYS 119 HA 0.01 0.06 0.36 -0.75 4.32 3.98 2osgB1 LYS 119 HB2 0.00 0.20 0.14 -0.04 1.87 2.17 2osgB1 LYS 119 HB3 0.00 0.03 0.01 -0.04 1.79 1.80 2osgB1 LYS 119 HG2 0.00 0.01 -0.02 -0.04 1.46 1.42 2osgB1 LYS 119 HG3 0.00 -0.02 0.03 -0.04 1.46 1.43 2osgB1 LYS 119 HD2 0.00 -0.02 -0.02 -0.04 1.69 1.61 2osgB1 LYS 119 HD3 0.00 -0.01 -0.02 -0.04 1.68 1.62 2osgB1 LYS 119 HE2 0.00 -0.01 -0.03 -0.04 2.99 2.91 2osgB1 LYS 119 HE3 0.00 -0.00 -0.07 -0.04 2.99 2.88 2osgB1 ASP 120 H 0.01 0.09 -0.38 -0.55 8.40 7.57 2osgB1 ASP 120 HA 0.01 0.21 0.78 -0.75 4.63 4.87 2osgB1 ASP 120 HB2 0.01 0.04 0.10 -0.04 2.71 2.82 2osgB1 ASP 120 HB3 0.02 -0.01 -0.08 -0.04 2.70 2.59 2osgB1 GLY 121 H 0.02 0.18 -0.15 -0.55 8.43 7.94 2osgB1 GLY 121 HA2 0.05 0.03 0.32 -0.51 4.01 3.90 2osgB1 GLY 121 HA3 0.07 0.10 0.43 -0.51 4.01 4.10 2osgB1 ASN 122 H 0.03 0.12 0.06 -0.55 8.53 8.19 2osgB1 ASN 122 HA 0.03 0.17 0.45 -0.75 4.76 4.66 2osgB1 ASN 122 HB2 0.02 0.02 0.01 -0.04 2.88 2.89 2osgB1 ASN 122 HB3 0.02 0.03 0.03 -0.04 2.79 2.83 2osgB1 ASN 122 HD21 0.02 0.03 -0.10 -0.04 7.03 6.94 2osgB1 ASN 122 HD22 0.01 -0.04 -0.03 -0.04 7.74 7.64 2osgB1 LEU 123 H 0.04 0.08 -0.06 -0.55 8.37 7.88 2osgB1 LEU 123 HA 0.07 0.19 0.87 -0.75 4.35 4.72 2osgB1 LEU 123 HB2 0.03 -0.08 0.02 -0.04 1.64 1.57 2osgB1 LEU 123 HB3 0.04 0.02 -0.14 -0.04 1.64 1.52 2osgB1 LEU 123 HG 0.03 0.04 -0.33 -0.04 1.64 1.33 2osgB1 LEU 123 HD13 0.02 -0.01 -0.11 -0.04 0.93 0.78 2osgB1 LEU 123 HD23 0.04 0.00 -0.11 -0.04 0.89 0.79 2osgB1 HIS 124 H 0.15 0.17 0.04 -0.55 8.41 8.23 2osgB1 HIS 124 HA 0.02 0.14 0.68 -0.75 4.63 4.72 2osgB1 HIS 124 HB2 0.02 0.03 0.01 -0.04 3.26 3.28 2osgB1 HIS 124 HB3 0.02 0.05 -0.15 -0.04 3.20 3.07 2osgB1 HIS 124 HD2 0.01 0.06 -0.15 -0.04 6.97 6.85 2osgB1 HIS 124 HE1 0.01 0.01 -0.00 -0.04 7.75 7.72 2osgB1 GLU 125 H -0.17 0.13 0.10 -0.55 8.60 8.11 2osgB1 GLU 125 HA 0.07 0.16 0.39 -0.75 4.29 4.15 2osgB1 GLU 125 HB2 -0.04 -0.06 0.19 -0.04 2.09 2.14 2osgB1 GLU 125 HB3 0.04 0.14 0.05 -0.04 1.99 2.17 2osgB1 GLU 125 HG2 0.01 0.22 -0.15 -0.04 2.34 2.38 2osgB1 GLU 125 HG3 -0.03 -0.11 -0.08 -0.04 2.34 2.08 2osgB1 GLY 126 H 0.21 0.43 0.36 -0.55 8.43 8.88 2osgB1 GLY 126 HA2 0.11 -0.02 0.26 -0.51 4.01 3.84 2osgB1 GLY 126 HA3 0.02 0.19 0.81 -0.51 4.01 4.52 2osgB1 ASP 127 H 0.12 0.54 -0.06 -0.55 8.40 8.46 2osgB1 ASP 127 HA 0.05 0.05 0.39 -0.75 4.63 4.36 2osgB1 ASP 127 HB2 0.10 -0.03 0.14 -0.04 2.71 2.87 2osgB1 ASP 127 HB3 0.06 0.02 -0.05 -0.04 2.70 2.69 2osgB1 ILE 128 H 0.04 0.14 0.18 -0.55 8.25 8.06 2osgB1 ILE 128 HA 0.14 0.11 0.54 -0.75 4.18 4.22 2osgB1 ILE 128 HB 0.05 0.04 -0.01 -0.04 1.89 1.92 2osgB1 ILE 128 HG12 0.00 0.02 0.16 -0.04 1.49 1.64 2osgB1 ILE 128 HG13 0.02 -0.09 0.26 -0.04 1.21 1.36 2osgB1 ILE 128 HG23 -0.00 0.03 -0.03 -0.04 0.93 0.89 2osgB1 ILE 128 HD13 0.00 0.01 0.02 -0.04 0.88 0.87 2osgB1 ILE 129 H 0.10 0.41 0.37 -0.55 8.25 8.58 2osgB1 ILE 129 HA 0.04 0.08 0.60 -0.75 4.18 4.15 2osgB1 ILE 129 HB 0.03 0.13 0.13 -0.04 1.89 2.14 2osgB1 ILE 129 HG12 0.03 -0.06 -0.06 -0.04 1.49 1.37 2osgB1 ILE 129 HG13 0.07 0.02 0.04 -0.04 1.21 1.30 2osgB1 ILE 129 HG23 0.02 -0.07 -0.07 -0.04 0.93 0.77 2osgB1 ILE 129 HD13 0.01 -0.01 -0.23 -0.04 0.88 0.61 2osgB1 LEU 130 H 0.02 0.77 0.35 -0.55 8.37 8.97 2osgB1 LEU 130 HA 0.02 0.14 0.72 -0.75 4.35 4.48 2osgB1 LEU 130 HB2 0.02 0.02 -0.08 -0.04 1.64 1.55 2osgB1 LEU 130 HB3 0.01 -0.06 -0.09 -0.04 1.64 1.46 2osgB1 LEU 130 HG 0.01 -0.06 -0.04 -0.04 1.64 1.51 2osgB1 LEU 130 HD13 0.01 0.00 -0.04 -0.04 0.93 0.86 2osgB1 LEU 130 HD23 0.01 0.00 -0.13 -0.04 0.89 0.73 2osgB1 LYS 131 H 0.01 0.19 0.23 -0.55 8.42 8.30 2osgB1 LYS 131 HA 0.01 0.26 0.77 -0.75 4.32 4.60 2osgB1 LYS 131 HB2 0.01 -0.07 -0.13 -0.04 1.87 1.64 2osgB1 LYS 131 HB3 0.01 -0.08 -0.18 -0.04 1.79 1.49 2osgB1 LYS 131 HG2 0.01 0.05 -0.39 -0.04 1.46 1.09 2osgB1 LYS 131 HG3 0.01 0.10 -0.18 -0.04 1.46 1.35 2osgB1 LYS 131 HD2 0.01 -0.03 -0.15 -0.04 1.69 1.47 2osgB1 LYS 131 HD3 0.00 0.01 -0.21 -0.04 1.68 1.44 2osgB1 LYS 131 HE2 0.00 0.01 -0.11 -0.04 2.99 2.86 2osgB1 LYS 131 HE3 0.01 0.01 -0.11 -0.04 2.99 2.85 2osgB1 ILE 132 H 0.00 0.96 0.20 -0.55 8.25 8.87 2osgB1 ILE 132 HA 0.00 0.39 1.08 -0.75 4.18 4.89 2osgB1 ILE 132 HB -0.00 0.01 0.05 -0.04 1.89 1.92 2osgB1 ILE 132 HG12 0.01 0.03 -0.13 -0.04 1.49 1.35 2osgB1 ILE 132 HG13 0.00 -0.09 -0.47 -0.04 1.21 0.62 2osgB1 ILE 132 HG23 -0.00 0.01 -0.09 -0.04 0.93 0.81 2osgB1 ILE 132 HD13 -0.01 0.00 -0.09 -0.04 0.88 0.74 2osgB1 ASN 133 H 0.00 0.62 0.27 -0.55 8.53 8.88 2osgB1 ASN 133 HA 0.00 -0.02 0.38 -0.75 4.76 4.37 2osgB1 ASN 133 HB2 -0.00 -0.01 -0.23 -0.04 2.88 2.59 2osgB1 ASN 133 HB3 -0.00 0.09 0.25 -0.04 2.79 3.08 2osgB1 ASN 133 HD21 0.00 0.10 0.06 -0.04 7.03 7.15 2osgB1 ASN 133 HD22 0.00 -0.00 0.06 -0.04 7.74 7.76 2osgB1 GLY 134 H 0.00 0.03 -0.29 -0.55 8.43 7.62 2osgB1 GLY 134 HA2 0.00 -0.02 0.19 -0.51 4.01 3.67 2osgB1 GLY 134 HA3 0.00 0.12 0.42 -0.51 4.01 4.04 2osgB1 THR 135 H 0.00 0.17 -0.52 -0.55 8.28 7.38 2osgB1 THR 135 HA 0.00 0.14 0.93 -0.75 4.39 4.71 2osgB1 THR 135 HB 0.00 0.12 0.09 -0.04 4.32 4.49 2osgB1 THR 135 HG23 -0.00 0.02 0.01 -0.04 1.22 1.21 2osgB1 VAL 136 H 0.00 0.14 0.15 -0.55 8.24 7.98 2osgB1 VAL 136 HA 0.01 0.12 0.53 -0.75 4.13 4.04 2osgB1 VAL 136 HB 0.01 0.01 0.08 -0.04 2.12 2.18 2osgB1 VAL 136 HG13 0.01 0.03 0.16 -0.04 0.97 1.13 2osgB1 VAL 136 HG23 0.00 0.02 0.09 -0.04 0.95 1.02 2osgB1 THR 137 H 0.01 0.48 0.27 -0.55 8.28 8.49 2osgB1 THR 137 HA 0.01 0.14 0.78 -0.75 4.39 4.56 2osgB1 THR 137 HB 0.02 0.28 -0.40 -0.04 4.32 4.18 2osgB1 THR 137 HG23 0.01 0.02 -0.00 -0.04 1.22 1.21 2osgB1 GLU 138 H 0.01 0.12 0.04 -0.55 8.60 8.22 2osgB1 GLU 138 HA 0.02 0.19 1.15 -0.75 4.29 4.90 2osgB1 GLU 138 HB2 0.02 -0.00 0.11 -0.04 2.09 2.18 2osgB1 GLU 138 HB3 0.01 0.00 0.08 -0.04 1.99 2.05 2osgB1 GLU 138 HG2 0.02 -0.02 0.02 -0.04 2.34 2.32 2osgB1 GLU 138 HG3 0.03 0.04 0.16 -0.04 2.34 2.52 2osgB1 ASN 139 H 0.02 0.82 0.36 -0.55 8.53 9.18 2osgB1 ASN 139 HA 0.02 -0.04 0.43 -0.75 4.76 4.40 2osgB1 ASN 139 HB2 0.01 0.16 0.19 -0.04 2.88 3.20 2osgB1 ASN 139 HB3 0.01 -0.03 0.16 -0.04 2.79 2.89 2osgB1 ASN 139 HD21 0.01 0.02 -0.01 -0.04 7.03 7.01 2osgB1 ASN 139 HD22 0.01 -0.08 0.10 -0.04 7.74 7.74 2osgB1 MET 140 H 0.01 -0.06 -1.11 -0.55 8.47 6.77 2osgB1 MET 140 HA 0.00 0.09 0.32 -0.75 4.52 4.18 2osgB1 MET 140 HB2 0.00 -0.01 -0.24 -0.04 2.15 1.86 2osgB1 MET 140 HB3 -0.00 0.01 -0.19 -0.04 2.03 1.81 2osgB1 MET 140 HG2 -0.00 0.12 -0.02 -0.04 2.63 2.69 2osgB1 MET 140 HG3 -0.00 -0.18 0.07 -0.04 2.56 2.41 2osgB1 MET 140 HE3 0.00 -0.01 0.01 -0.04 2.10 2.06 2osgB1 SER 141 H -0.00 0.12 0.11 -0.55 8.46 8.14 2osgB1 SER 141 HA -0.00 0.22 0.64 -0.75 4.49 4.59 2osgB1 SER 141 HB2 -0.01 -0.10 0.13 -0.04 3.95 3.93 2osgB1 SER 141 HB3 -0.01 -0.04 0.08 -0.04 3.93 3.93 2osgB1 LEU 142 H -0.01 0.25 0.14 -0.55 8.37 8.20 2osgB1 LEU 142 HA -0.04 0.12 0.34 -0.75 4.35 4.01 2osgB1 LEU 142 HB2 -0.03 0.08 0.13 -0.04 1.64 1.77 2osgB1 LEU 142 HB3 -0.03 -0.03 0.10 -0.04 1.64 1.65 2osgB1 LEU 142 HG -0.09 -0.00 0.05 -0.04 1.64 1.56 2osgB1 LEU 142 HD13 -0.07 0.02 0.01 -0.04 0.93 0.85 2osgB1 LEU 142 HD23 -0.05 -0.00 -0.19 -0.04 0.89 0.61 2osgB1 THR 143 H -0.02 0.10 -0.13 -0.55 8.28 7.69 2osgB1 THR 143 HA -0.02 0.12 0.38 -0.75 4.39 4.12 2osgB1 THR 143 HB -0.01 0.08 0.01 -0.04 4.32 4.35 2osgB1 THR 143 HG23 -0.01 0.02 0.03 -0.04 1.22 1.21 2osgB1 ASP 144 H -0.01 0.03 -0.38 -0.55 8.40 7.49 2osgB1 ASP 144 HA -0.01 0.09 0.40 -0.75 4.63 4.35 2osgB1 ASP 144 HB2 -0.01 -0.08 0.12 -0.04 2.71 2.70 2osgB1 ASP 144 HB3 -0.01 0.10 0.09 -0.04 2.70 2.83 2osgB1 ALA 145 H -0.02 0.56 -0.12 -0.55 8.40 8.27 2osgB1 ALA 145 HA -0.02 0.06 0.35 -0.75 4.34 3.98 2osgB1 ALA 145 HB3 -0.03 0.03 0.02 -0.04 1.41 1.40 2osgB1 ARG 146 H -0.03 0.44 -0.26 -0.55 8.46 8.06 2osgB1 ARG 146 HA -0.03 0.04 0.45 -0.75 4.34 4.05 2osgB1 ARG 146 HB2 -0.04 0.08 0.12 -0.04 1.90 2.01 2osgB1 ARG 146 HB3 -0.02 0.07 0.06 -0.04 1.80 1.86 2osgB1 ARG 146 HG2 -0.03 -0.02 0.05 -0.04 1.67 1.63 2osgB1 ARG 146 HG3 -0.04 -0.02 0.03 -0.04 1.67 1.60 2osgB1 ARG 146 HD2 -0.03 -0.02 -0.02 -0.04 3.22 3.11 2osgB1 ARG 146 HD3 -0.02 0.01 -0.07 -0.04 3.22 3.10 2osgB1 LYS 147 H -0.02 0.49 -0.19 -0.55 8.42 8.15 2osgB1 LYS 147 HA -0.01 0.02 0.46 -0.75 4.32 4.04 2osgB1 LYS 147 HB2 -0.01 0.20 0.18 -0.04 1.87 2.19 2osgB1 LYS 147 HB3 -0.01 0.04 0.05 -0.04 1.79 1.83 2osgB1 LYS 147 HG2 -0.01 -0.01 0.01 -0.04 1.46 1.41 2osgB1 LYS 147 HG3 -0.01 -0.02 0.04 -0.04 1.46 1.44 2osgB1 LYS 147 HD2 -0.01 -0.02 -0.04 -0.04 1.69 1.58 2osgB1 LYS 147 HD3 -0.01 -0.00 -0.03 -0.04 1.68 1.60 2osgB1 LYS 147 HE2 -0.01 -0.01 -0.02 -0.04 2.99 2.91 2osgB1 LYS 147 HE3 -0.01 0.01 -0.01 -0.04 2.99 2.94 2osgB1 LEU 148 H -0.01 0.64 -0.13 -0.55 8.37 8.32 2osgB1 LEU 148 HA -0.01 0.03 0.37 -0.75 4.35 3.98 2osgB1 LEU 148 HB2 -0.01 0.03 0.08 -0.04 1.64 1.70 2osgB1 LEU 148 HB3 -0.01 0.09 0.09 -0.04 1.64 1.78 2osgB1 LEU 148 HG -0.00 -0.03 -0.06 -0.04 1.64 1.51 2osgB1 LEU 148 HD13 -0.00 -0.00 -0.01 -0.04 0.93 0.87 2osgB1 LEU 148 HD23 -0.00 0.02 -0.17 -0.04 0.89 0.70 2osgB1 ILE 149 H -0.01 0.37 -0.28 -0.55 8.25 7.78 2osgB1 ILE 149 HA -0.01 0.05 0.39 -0.75 4.18 3.86 2osgB1 ILE 149 HB -0.02 0.09 0.06 -0.04 1.89 1.98 2osgB1 ILE 149 HG12 -0.01 -0.08 -0.03 -0.04 1.49 1.33 2osgB1 ILE 149 HG13 -0.01 0.11 0.08 -0.04 1.21 1.34 2osgB1 ILE 149 HG23 -0.01 -0.02 -0.07 -0.04 0.93 0.79 2osgB1 ILE 149 HD13 -0.02 -0.01 -0.08 -0.04 0.88 0.72 2osgB1 GLU 150 H -0.01 0.35 -0.28 -0.55 8.60 8.11 2osgB1 GLU 150 HA -0.01 0.03 0.40 -0.75 4.29 3.95 2osgB1 GLU 150 HB2 -0.01 0.06 0.23 -0.04 2.09 2.33 2osgB1 GLU 150 HB3 -0.01 -0.03 -0.03 -0.04 1.99 1.87 2osgB1 GLU 150 HG2 -0.01 -0.04 0.02 -0.04 2.34 2.27 2osgB1 GLU 150 HG3 -0.01 0.08 0.03 -0.04 2.34 2.39 2osgB1 LYS 151 H -0.01 0.76 -0.01 -0.55 8.42 8.62 2osgB1 LYS 151 HA -0.00 0.01 0.45 -0.75 4.32 4.03 2osgB1 LYS 151 HB2 -0.01 0.20 0.13 -0.04 1.87 2.14 2osgB1 LYS 151 HB3 -0.00 -0.02 -0.03 -0.04 1.79 1.70 2osgB1 LYS 151 HG2 -0.00 -0.03 0.03 -0.04 1.46 1.41 2osgB1 LYS 151 HG3 -0.00 -0.04 0.01 -0.04 1.46 1.39 2osgB1 LYS 151 HD2 -0.00 -0.02 0.04 -0.04 1.69 1.66 2osgB1 LYS 151 HD3 -0.00 0.02 0.16 -0.04 1.68 1.82 2osgB1 LYS 151 HE2 -0.00 -0.03 0.02 -0.04 2.99 2.93 2osgB1 LYS 151 HE3 -0.00 -0.02 0.03 -0.04 2.99 2.96 2osgB1 SER 152 H -0.01 0.23 -0.69 -0.55 8.46 7.45 2osgB1 SER 152 HA -0.00 0.05 0.52 -0.75 4.49 4.31 2osgB1 SER 152 HB2 -0.00 0.02 0.09 -0.04 3.95 4.02 2osgB1 SER 152 HB3 -0.00 0.01 0.19 -0.04 3.93 4.08 2osgB1 ARG 153 H -0.00 0.50 -0.14 -0.55 8.46 8.26 2osgB1 ARG 153 HA -0.00 0.05 0.50 -0.75 4.34 4.13 2osgB1 ARG 153 HB2 -0.00 -0.06 0.01 -0.04 1.90 1.81 2osgB1 ARG 153 HB3 -0.00 0.08 0.05 -0.04 1.80 1.89 2osgB1 ARG 153 HG2 -0.00 0.17 0.14 -0.04 1.67 1.94 2osgB1 ARG 153 HG3 -0.00 -0.05 0.19 -0.04 1.67 1.77 2osgB1 ARG 153 HD2 -0.00 -0.01 0.03 -0.04 3.22 3.20 2osgB1 ARG 153 HD3 -0.00 -0.02 0.05 -0.04 3.22 3.21 2osgB1 GLY 154 H -0.00 0.18 0.10 -0.55 8.43 8.16 2osgB1 GLY 154 HA2 -0.00 -0.03 0.35 -0.51 4.01 3.82 2osgB1 GLY 154 HA3 -0.00 0.18 0.93 -0.51 4.01 4.60 2osgB1 LYS 155 H -0.00 0.28 -0.03 -0.55 8.42 8.11 2osgB1 LYS 155 HA 0.00 0.13 0.92 -0.75 4.32 4.62 2osgB1 LYS 155 HB2 0.00 0.01 -0.08 -0.04 1.87 1.76 2osgB1 LYS 155 HB3 0.00 -0.00 0.04 -0.04 1.79 1.79 2osgB1 LYS 155 HG2 0.00 -0.04 -0.17 -0.04 1.46 1.22 2osgB1 LYS 155 HG3 0.00 0.02 -0.02 -0.04 1.46 1.41 2osgB1 LYS 155 HD2 0.00 0.00 0.01 -0.04 1.69 1.67 2osgB1 LYS 155 HD3 0.00 0.00 -0.02 -0.04 1.68 1.62 2osgB1 LYS 155 HE2 0.00 -0.01 -0.05 -0.04 2.99 2.89 2osgB1 LYS 155 HE3 0.00 -0.00 -0.02 -0.04 2.99 2.93 2osgB1 LEU 156 H 0.00 0.18 0.14 -0.55 8.37 8.14 2osgB1 LEU 156 HA -0.00 0.20 0.97 -0.75 4.35 4.76 2osgB1 LEU 156 HB2 -0.00 0.04 0.03 -0.04 1.64 1.67 2osgB1 LEU 156 HB3 -0.00 0.12 -0.09 -0.04 1.64 1.62 2osgB1 LEU 156 HG 0.00 -0.04 -0.44 -0.04 1.64 1.12 2osgB1 LEU 156 HD13 -0.00 0.00 -0.07 -0.04 0.93 0.82 2osgB1 LEU 156 HD23 0.00 -0.02 0.04 -0.04 0.89 0.86 2osgB1 GLN 157 H 0.00 0.16 0.19 -0.55 8.47 8.27 2osgB1 GLN 157 HA 0.00 0.22 0.92 -0.75 4.36 4.75 2osgB1 GLN 157 HB2 0.00 0.10 -0.00 -0.04 2.15 2.21 2osgB1 GLN 157 HB3 0.00 -0.22 0.18 -0.04 2.02 1.95 2osgB1 GLN 157 HG2 0.01 0.08 -0.21 -0.04 2.40 2.24 2osgB1 GLN 157 HG3 0.00 0.08 -0.02 -0.04 2.39 2.41 2osgB1 GLN 157 HE21 0.01 -0.00 -0.37 -0.04 6.97 6.56 2osgB1 GLN 157 HE22 0.00 0.03 -0.16 -0.04 7.69 7.52 2osgB1 LEU 158 H 0.01 0.26 0.18 -0.55 8.37 8.27 2osgB1 LEU 158 HA 0.01 0.27 1.09 -0.75 4.35 4.97 2osgB1 LEU 158 HB2 0.01 0.00 0.01 -0.04 1.64 1.62 2osgB1 LEU 158 HB3 0.01 0.03 -0.01 -0.04 1.64 1.63 2osgB1 LEU 158 HG 0.01 -0.02 -0.13 -0.04 1.64 1.46 2osgB1 LEU 158 HD13 0.00 0.01 -0.26 -0.04 0.93 0.64 2osgB1 LEU 158 HD23 0.01 -0.02 -0.26 -0.04 0.89 0.58 2osgB1 VAL 159 H 0.01 0.60 0.37 -0.55 8.24 8.68 2osgB1 VAL 159 HA 0.01 0.23 1.01 -0.75 4.13 4.63 2osgB1 VAL 159 HB 0.01 -0.28 0.17 -0.04 2.12 1.98 2osgB1 VAL 159 HG13 0.01 0.01 -0.01 -0.04 0.97 0.94 2osgB1 VAL 159 HG23 0.01 0.03 -0.22 -0.04 0.95 0.73 2osgB1 VAL 160 H 0.01 0.28 0.21 -0.55 8.24 8.20 2osgB1 VAL 160 HA 0.02 0.17 0.95 -0.75 4.13 4.52 2osgB1 VAL 160 HB 0.02 0.05 -0.07 -0.04 2.12 2.09 2osgB1 VAL 160 HG13 0.04 0.01 -0.33 -0.04 0.97 0.65 2osgB1 VAL 160 HG23 0.02 0.02 -0.03 -0.04 0.95 0.92 2osgB1 LEU 161 H 0.02 0.34 0.17 -0.55 8.37 8.35 2osgB1 LEU 161 HA 0.01 0.16 0.91 -0.75 4.35 4.67 2osgB1 LEU 161 HB2 0.01 0.04 0.12 -0.04 1.64 1.77 2osgB1 LEU 161 HB3 0.00 0.01 -0.06 -0.04 1.64 1.56 2osgB1 LEU 161 HG 0.01 -0.04 -0.10 -0.04 1.64 1.47 2osgB1 LEU 161 HD13 0.01 -0.00 -0.04 -0.04 0.93 0.85 2osgB1 LEU 161 HD23 0.00 0.01 0.03 -0.04 0.89 0.88 2osgB1 ARG 162 H 0.00 0.26 0.18 -0.55 8.46 8.36 2osgB1 ARG 162 HA -0.01 0.14 0.83 -0.75 4.34 4.55 2osgB1 ARG 162 HB2 -0.00 0.03 -0.02 -0.04 1.90 1.86 2osgB1 ARG 162 HB3 -0.01 0.01 -0.00 -0.04 1.80 1.75 2osgB1 ARG 162 HG2 -0.00 0.02 -0.33 -0.04 1.67 1.31 2osgB1 ARG 162 HG3 -0.01 0.03 -0.07 -0.04 1.67 1.57 2osgB1 ARG 162 HD2 -0.03 0.01 0.00 -0.04 3.22 3.17 2osgB1 ARG 162 HD3 -0.02 -0.08 0.08 -0.04 3.22 3.16 2osgB1 ASP 163 H -0.01 0.10 0.09 -0.55 8.40 8.04 2osgB1 ASP 163 HA -0.01 -0.00 0.37 -0.75 4.63 4.24 2osgB1 ASP 163 HB2 -0.01 -0.06 -0.26 -0.04 2.71 2.34 2osgB1 ASP 163 HB3 -0.00 0.09 0.28 -0.04 2.70 3.03 2osgB1 SER 164 H -0.01 0.08 0.05 -0.55 8.46 8.04 2osgB1 SER 164 HA -0.00 0.11 0.51 -0.75 4.49 4.35 2osgB1 SER 164 HB2 -0.01 0.00 0.14 -0.04 3.95 4.05 2osgB1 SER 164 HB3 -0.01 0.01 -0.02 -0.04 3.93 3.87 2osgB1 LEU 165 H -0.00 0.23 0.07 -0.55 8.37 8.12 2osgB1 LEU 165 HA -0.00 0.16 0.82 -0.75 4.35 4.57 2osgB1 LEU 165 HB2 -0.00 0.02 0.15 -0.04 1.64 1.76 2osgB1 LEU 165 HB3 -0.00 0.01 0.04 -0.04 1.64 1.65 2osgB1 LEU 165 HG -0.00 -0.04 -0.82 -0.04 1.64 0.74 2osgB1 LEU 165 HD13 -0.00 0.02 -0.07 -0.04 0.93 0.84 2osgB1 LEU 165 HD23 -0.00 0.01 -0.04 -0.04 0.89 0.82 2osgB1 GLU 166 H -0.00 0.20 -0.08 -0.55 8.60 8.17 2osgB1 GLU 166 HA -0.00 0.25 0.67 -0.75 4.29 4.46 2osgB1 GLU 166 HB2 -0.00 -0.06 -0.13 -0.04 2.09 1.86 2osgB1 GLU 166 HB3 -0.00 0.03 0.03 -0.04 1.99 2.00 2osgB1 GLU 166 HG2 -0.00 -0.00 -0.00 -0.04 2.34 2.29 2osgB1 GLU 166 HG3 -0.00 0.05 0.07 -0.04 2.34 2.42