============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 2 rings ring int. center anis. iso. HIS 33 0.900 36.623 23.490 47.248 -99.200 -91.000 PHE 68 1.000 44.540 26.485 27.990 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1yabB1 SER 68 HA 0.00 0.04 0.15 -0.75 4.49 3.92 1yabB1 SER 68 HB2 0.00 -0.15 0.14 -0.04 3.95 3.89 1yabB1 SER 68 HB3 0.00 0.08 0.07 -0.04 3.93 4.04 1yabB1 ASP 69 H 0.00 0.18 0.02 -0.55 8.40 8.05 1yabB1 ASP 69 HA 0.00 -0.05 0.85 -0.75 4.63 4.68 1yabB1 ASP 69 HB2 0.00 0.03 0.27 -0.04 2.71 2.97 1yabB1 ASP 69 HB3 0.00 0.06 0.15 -0.04 2.70 2.87 1yabB1 LYS 70 H 0.00 0.26 0.03 -0.55 8.42 8.16 1yabB1 LYS 70 HA 0.00 0.18 0.39 -0.75 4.32 4.14 1yabB1 LYS 70 HB2 0.00 -0.01 0.12 -0.04 1.87 1.93 1yabB1 LYS 70 HB3 0.00 0.06 0.03 -0.04 1.79 1.84 1yabB1 LYS 70 HG2 0.00 0.03 0.05 -0.04 1.46 1.50 1yabB1 LYS 70 HG3 0.00 0.02 0.11 -0.04 1.46 1.55 1yabB1 LYS 70 HD2 0.00 0.02 0.06 -0.04 1.69 1.74 1yabB1 LYS 70 HD3 0.00 0.04 0.19 -0.04 1.68 1.87 1yabB1 LYS 70 HE2 0.00 0.01 0.03 -0.04 2.99 2.98 1yabB1 LYS 70 HE3 0.00 0.02 0.03 -0.04 2.99 3.00 1yabB1 LEU 71 H 0.00 -0.03 0.02 -0.55 8.37 7.82 1yabB1 LEU 71 HA 0.00 0.22 0.67 -0.75 4.35 4.48 1yabB1 LEU 71 HB2 0.00 0.16 0.03 -0.04 1.64 1.78 1yabB1 LEU 71 HB3 0.00 0.04 -0.05 -0.04 1.64 1.59 1yabB1 LEU 71 HG 0.00 -0.04 -0.06 -0.04 1.64 1.50 1yabB1 LEU 71 HD13 0.00 0.03 -0.01 -0.04 0.93 0.91 1yabB1 LEU 71 HD23 0.00 0.00 0.02 -0.04 0.89 0.87 1yabB1 GLU 72 H 0.00 0.06 0.07 -0.55 8.60 8.18 1yabB1 GLU 72 HA 0.00 0.11 0.63 -0.75 4.29 4.27 1yabB1 GLU 72 HB2 0.00 -0.03 0.14 -0.04 2.09 2.16 1yabB1 GLU 72 HB3 0.00 0.08 -0.09 -0.04 1.99 1.94 1yabB1 GLU 72 HG2 0.00 0.04 0.04 -0.04 2.34 2.38 1yabB1 GLU 72 HG3 0.00 0.03 0.07 -0.04 2.34 2.39 1yabB1 LEU 73 H 0.00 0.05 -0.44 -0.55 8.37 7.43 1yabB1 LEU 73 HA 0.00 0.07 0.26 -0.75 4.35 3.93 1yabB1 LEU 73 HB2 0.00 -0.16 -0.16 -0.04 1.64 1.27 1yabB1 LEU 73 HB3 0.00 0.21 -0.23 -0.04 1.64 1.58 1yabB1 LEU 73 HG 0.00 0.03 0.03 -0.04 1.64 1.65 1yabB1 LEU 73 HD13 0.00 -0.01 0.02 -0.04 0.93 0.91 1yabB1 LEU 73 HD23 0.00 -0.00 0.00 -0.04 0.89 0.85 1yabB1 LEU 74 H 0.00 0.15 -1.34 -0.55 8.37 6.64 1yabB1 LEU 74 HA 0.00 0.13 0.65 -0.75 4.35 4.37 1yabB1 LEU 74 HB2 0.00 0.35 0.20 -0.04 1.64 2.15 1yabB1 LEU 74 HB3 0.00 -0.03 -0.04 -0.04 1.64 1.52 1yabB1 LEU 74 HG 0.00 -0.01 -0.03 -0.04 1.64 1.56 1yabB1 LEU 74 HD13 0.00 -0.01 0.04 -0.04 0.93 0.92 1yabB1 LEU 74 HD23 0.00 -0.00 -0.01 -0.04 0.89 0.83 1yabB1 LEU 75 H 0.00 0.15 0.16 -0.55 8.37 8.14 1yabB1 LEU 75 HA 0.00 0.02 0.43 -0.75 4.35 4.05 1yabB1 LEU 75 HB2 0.00 0.09 0.17 -0.04 1.64 1.86 1yabB1 LEU 75 HB3 0.00 -0.02 0.08 -0.04 1.64 1.67 1yabB1 LEU 75 HG 0.00 -0.00 0.13 -0.04 1.64 1.72 1yabB1 LEU 75 HD13 0.00 -0.02 0.05 -0.04 0.93 0.91 1yabB1 LEU 75 HD23 0.00 0.00 0.06 -0.04 0.89 0.91 1yabB1 ASP 76 H 0.00 0.08 -1.21 -0.55 8.40 6.73 1yabB1 ASP 76 HA 0.00 0.14 0.59 -0.75 4.63 4.60 1yabB1 ASP 76 HB2 0.00 0.11 -0.12 -0.04 2.71 2.66 1yabB1 ASP 76 HB3 0.00 -0.05 0.07 -0.04 2.70 2.68 1yabB1 ILE 77 H 0.00 0.50 -0.16 -0.55 8.25 8.04 1yabB1 ILE 77 HA 0.00 0.04 0.42 -0.75 4.18 3.89 1yabB1 ILE 77 HB 0.00 -0.07 -0.04 -0.04 1.89 1.74 1yabB1 ILE 77 HG12 0.00 0.67 0.26 -0.04 1.49 2.39 1yabB1 ILE 77 HG13 0.00 -0.09 0.05 -0.04 1.21 1.12 1yabB1 ILE 77 HG23 0.00 0.04 -0.02 -0.04 0.93 0.90 1yabB1 ILE 77 HD13 0.00 -0.03 0.07 -0.04 0.88 0.87 1yabB1 PRO 78 HA 0.00 0.04 0.61 -0.51 4.44 4.58 1yabB1 PRO 78 HB2 0.00 -0.03 -0.00 -0.04 2.28 2.21 1yabB1 PRO 78 HB3 0.00 0.02 0.12 -0.04 2.02 2.11 1yabB1 PRO 78 HG2 0.00 -0.01 0.14 -0.04 2.03 2.12 1yabB1 PRO 78 HG3 0.00 0.01 0.11 -0.04 2.03 2.11 1yabB1 PRO 78 HD2 0.00 0.03 0.27 -0.04 3.68 3.94 1yabB1 PRO 78 HD3 0.00 0.22 0.23 -0.04 3.65 4.07 1yabB1 LEU 79 H 0.00 0.20 0.17 -0.55 8.37 8.19 1yabB1 LEU 79 HA -0.00 0.16 0.87 -0.75 4.35 4.63 1yabB1 LEU 79 HB2 -0.00 0.02 0.08 -0.04 1.64 1.69 1yabB1 LEU 79 HB3 -0.00 -0.07 -0.13 -0.04 1.64 1.40 1yabB1 LEU 79 HG -0.00 0.13 -0.22 -0.04 1.64 1.52 1yabB1 LEU 79 HD13 -0.00 -0.01 -0.08 -0.04 0.93 0.80 1yabB1 LEU 79 HD23 -0.00 0.02 -0.01 -0.04 0.89 0.86 1yabB1 LYS 80 H -0.00 0.17 0.10 -0.55 8.42 8.13 1yabB1 LYS 80 HA 0.00 0.12 0.50 -0.75 4.32 4.19 1yabB1 LYS 80 HB2 -0.00 0.04 0.12 -0.04 1.87 1.99 1yabB1 LYS 80 HB3 -0.00 -0.06 0.16 -0.04 1.79 1.84 1yabB1 LYS 80 HG2 0.00 0.05 -0.02 -0.04 1.46 1.44 1yabB1 LYS 80 HG3 0.00 0.02 -0.04 -0.04 1.46 1.41 1yabB1 LYS 80 HD2 0.00 0.01 -0.03 -0.04 1.69 1.63 1yabB1 LYS 80 HD3 -0.00 0.00 -0.01 -0.04 1.68 1.63 1yabB1 LYS 80 HE2 -0.00 -0.08 -0.11 -0.04 2.99 2.76 1yabB1 LYS 80 HE3 -0.00 0.05 -0.15 -0.04 2.99 2.85 1yabB1 VAL 81 H -0.00 0.22 0.25 -0.55 8.24 8.17 1yabB1 VAL 81 HA -0.00 0.16 0.89 -0.75 4.13 4.42 1yabB1 VAL 81 HB -0.00 -0.02 0.11 -0.04 2.12 2.17 1yabB1 VAL 81 HG13 -0.01 -0.00 -0.26 -0.04 0.97 0.66 1yabB1 VAL 81 HG23 -0.00 0.03 -0.07 -0.04 0.95 0.87 1yabB1 THR 82 H -0.01 0.74 0.39 -0.55 8.28 8.85 1yabB1 THR 82 HA -0.01 0.16 0.88 -0.75 4.39 4.66 1yabB1 THR 82 HB -0.01 -0.08 0.06 -0.04 4.32 4.24 1yabB1 THR 82 HG23 -0.01 0.02 -0.11 -0.04 1.22 1.07 1yabB1 VAL 83 H -0.03 0.22 0.13 -0.55 8.24 8.02 1yabB1 VAL 83 HA -0.03 0.25 1.03 -0.75 4.13 4.63 1yabB1 VAL 83 HB -0.06 -0.03 0.08 -0.04 2.12 2.06 1yabB1 VAL 83 HG13 -0.08 0.01 -0.33 -0.04 0.97 0.53 1yabB1 VAL 83 HG23 -0.03 -0.01 -0.19 -0.04 0.95 0.68 1yabB1 GLU 84 H -0.03 0.60 0.21 -0.55 8.60 8.83 1yabB1 GLU 84 HA -0.04 0.20 1.13 -0.75 4.29 4.83 1yabB1 GLU 84 HB2 -0.02 0.00 0.06 -0.04 2.09 2.09 1yabB1 GLU 84 HB3 -0.02 -0.00 -0.10 -0.04 1.99 1.83 1yabB1 GLU 84 HG2 -0.02 0.00 -0.05 -0.04 2.34 2.23 1yabB1 GLU 84 HG3 -0.02 0.00 -0.10 -0.04 2.34 2.18 1yabB1 LEU 85 H -0.04 0.09 0.18 -0.55 8.37 8.05 1yabB1 LEU 85 HA -0.05 0.12 0.36 -0.75 4.35 4.01 1yabB1 LEU 85 HB2 -0.06 0.02 0.10 -0.04 1.64 1.65 1yabB1 LEU 85 HB3 -0.04 -0.10 0.14 -0.04 1.64 1.60 1yabB1 LEU 85 HG -0.03 0.02 -0.15 -0.04 1.64 1.44 1yabB1 LEU 85 HD13 -0.07 0.01 0.01 -0.04 0.93 0.83 1yabB1 LEU 85 HD23 -0.03 -0.00 -0.02 -0.04 0.89 0.79 1yabB1 GLY 86 H -0.02 0.11 0.12 -0.55 8.43 8.09 1yabB1 GLY 86 HA2 -0.02 0.20 0.59 -0.51 4.01 4.28 1yabB1 GLY 86 HA3 -0.02 -0.04 0.28 -0.51 4.01 3.72 1yabB1 ARG 87 H -0.01 0.04 0.01 -0.55 8.46 7.95 1yabB1 ARG 87 HA -0.01 0.07 0.68 -0.75 4.34 4.32 1yabB1 ARG 87 HB2 -0.01 0.01 -0.69 -0.04 1.90 1.17 1yabB1 ARG 87 HB3 -0.01 -0.01 -0.03 -0.04 1.80 1.71 1yabB1 ARG 87 HG2 -0.01 0.04 0.06 -0.04 1.67 1.72 1yabB1 ARG 87 HG3 -0.01 0.06 0.03 -0.04 1.67 1.71 1yabB1 ARG 87 HD2 -0.01 -0.04 -0.09 -0.04 3.22 3.05 1yabB1 ARG 87 HD3 -0.01 0.02 -0.04 -0.04 3.22 3.16 1yabB1 THR 88 H -0.01 0.18 0.14 -0.55 8.28 8.05 1yabB1 THR 88 HA -0.00 0.20 0.98 -0.75 4.39 4.82 1yabB1 THR 88 HB -0.00 -0.11 0.02 -0.04 4.32 4.19 1yabB1 THR 88 HG23 -0.00 0.00 -0.11 -0.04 1.22 1.07 1yabB1 ARG 89 H -0.00 0.28 0.20 -0.55 8.46 8.38 1yabB1 ARG 89 HA -0.00 0.17 0.78 -0.75 4.34 4.54 1yabB1 ARG 89 HB2 -0.00 -0.02 0.04 -0.04 1.90 1.88 1yabB1 ARG 89 HB3 -0.00 0.03 0.04 -0.04 1.80 1.83 1yabB1 ARG 89 HG2 -0.00 0.05 -0.62 -0.04 1.67 1.06 1yabB1 ARG 89 HG3 -0.00 -0.01 -0.06 -0.04 1.67 1.56 1yabB1 ARG 89 HD2 -0.00 0.01 -0.05 -0.04 3.22 3.13 1yabB1 ARG 89 HD3 -0.00 -0.02 -0.03 -0.04 3.22 3.13 1yabB1 MET 90 H -0.00 0.27 0.09 -0.55 8.47 8.28 1yabB1 MET 90 HA 0.00 0.12 0.60 -0.75 4.52 4.49 1yabB1 MET 90 HB2 0.00 -0.02 0.03 -0.04 2.15 2.12 1yabB1 MET 90 HB3 0.00 0.12 0.01 -0.04 2.03 2.11 1yabB1 MET 90 HG2 0.00 -0.07 -0.21 -0.04 2.63 2.31 1yabB1 MET 90 HG3 0.00 0.02 -0.07 -0.04 2.56 2.47 1yabB1 MET 90 HE3 0.00 -0.00 -0.23 -0.04 2.10 1.83 1yabB1 THR 91 H 0.00 0.15 0.13 -0.55 8.28 8.02 1yabB1 THR 91 HA 0.00 0.09 0.41 -0.75 4.39 4.14 1yabB1 THR 91 HB 0.00 0.09 0.14 -0.04 4.32 4.51 1yabB1 THR 91 HG23 0.00 0.04 0.13 -0.04 1.22 1.35 1yabB1 LEU 92 H 0.00 0.17 0.20 -0.55 8.37 8.19 1yabB1 LEU 92 HA 0.00 0.13 0.35 -0.75 4.35 4.08 1yabB1 LEU 92 HB2 0.00 0.06 0.13 -0.04 1.64 1.79 1yabB1 LEU 92 HB3 0.00 -0.06 0.14 -0.04 1.64 1.67 1yabB1 LEU 92 HG 0.00 0.03 -0.42 -0.04 1.64 1.21 1yabB1 LEU 92 HD13 0.00 0.01 -0.01 -0.04 0.93 0.90 1yabB1 LEU 92 HD23 0.00 0.01 -0.03 -0.04 0.89 0.82 1yabB1 LYS 93 H 0.00 0.03 -0.24 -0.55 8.42 7.66 1yabB1 LYS 93 HA 0.00 0.12 0.37 -0.75 4.32 4.06 1yabB1 LYS 93 HB2 0.00 -0.01 0.08 -0.04 1.87 1.90 1yabB1 LYS 93 HB3 0.00 -0.07 0.04 -0.04 1.79 1.72 1yabB1 LYS 93 HG2 0.00 0.04 0.01 -0.04 1.46 1.47 1yabB1 LYS 93 HG3 0.00 0.01 -0.00 -0.04 1.46 1.43 1yabB1 LYS 93 HD2 0.00 -0.03 -0.08 -0.04 1.69 1.54 1yabB1 LYS 93 HD3 0.00 0.02 -0.33 -0.04 1.68 1.33 1yabB1 LYS 93 HE2 0.00 0.01 -0.06 -0.04 2.99 2.90 1yabB1 LYS 93 HE3 0.00 0.03 -0.06 -0.04 2.99 2.92 1yabB1 ARG 94 H 0.00 0.07 -0.24 -0.55 8.46 7.74 1yabB1 ARG 94 HA 0.00 0.05 0.27 -0.75 4.34 3.92 1yabB1 ARG 94 HB2 0.00 0.08 0.11 -0.04 1.90 2.06 1yabB1 ARG 94 HB3 0.00 0.02 -0.04 -0.04 1.80 1.75 1yabB1 ARG 94 HG2 0.00 0.03 0.03 -0.04 1.67 1.68 1yabB1 ARG 94 HG3 0.00 -0.07 0.07 -0.04 1.67 1.63 1yabB1 ARG 94 HD2 0.00 0.03 0.03 -0.04 3.22 3.24 1yabB1 ARG 94 HD3 0.00 -0.03 0.06 -0.04 3.22 3.21 1yabB1 VAL 95 H 0.00 0.47 -0.19 -0.55 8.24 7.98 1yabB1 VAL 95 HA 0.01 -0.00 0.46 -0.75 4.13 3.84 1yabB1 VAL 95 HB 0.00 -0.07 0.03 -0.04 2.12 2.05 1yabB1 VAL 95 HG13 0.00 0.10 -0.08 -0.04 0.97 0.95 1yabB1 VAL 95 HG23 0.01 0.01 -0.01 -0.04 0.95 0.91 1yabB1 LEU 96 H 0.00 0.43 -0.67 -0.55 8.37 7.59 1yabB1 LEU 96 HA 0.01 0.16 0.91 -0.75 4.35 4.67 1yabB1 LEU 96 HB2 0.00 0.17 0.16 -0.04 1.64 1.94 1yabB1 LEU 96 HB3 0.00 -0.07 0.09 -0.04 1.64 1.63 1yabB1 LEU 96 HG 0.00 -0.00 -0.11 -0.04 1.64 1.49 1yabB1 LEU 96 HD13 0.00 -0.03 -0.08 -0.04 0.93 0.78 1yabB1 LEU 96 HD23 0.00 -0.01 0.05 -0.04 0.89 0.90 1yabB1 GLU 97 H 0.01 0.31 -0.06 -0.55 8.60 8.32 1yabB1 GLU 97 HA 0.01 0.20 0.90 -0.75 4.29 4.64 1yabB1 GLU 97 HB2 0.01 0.04 0.10 -0.04 2.09 2.20 1yabB1 GLU 97 HB3 0.01 -0.06 -0.00 -0.04 1.99 1.89 1yabB1 GLU 97 HG2 0.00 -0.02 0.01 -0.04 2.34 2.29 1yabB1 GLU 97 HG3 0.00 0.06 -0.20 -0.04 2.34 2.16 1yabB1 MET 98 H 0.01 0.10 -0.00 -0.55 8.47 8.03 1yabB1 MET 98 HA 0.02 -0.06 0.41 -0.75 4.52 4.13 1yabB1 MET 98 HB2 0.01 0.08 0.02 -0.04 2.15 2.23 1yabB1 MET 98 HB3 0.02 0.01 -0.12 -0.04 2.03 1.90 1yabB1 MET 98 HG2 0.01 -0.04 -0.03 -0.04 2.63 2.53 1yabB1 MET 98 HG3 0.01 0.03 0.00 -0.04 2.56 2.56 1yabB1 MET 98 HE3 0.01 0.02 -0.06 -0.04 2.10 2.03 1yabB1 ILE 99 H 0.03 0.06 0.17 -0.55 8.25 7.96 1yabB1 ILE 99 HA 0.05 0.21 0.85 -0.75 4.18 4.54 1yabB1 ILE 99 HB 0.06 0.09 0.06 -0.04 1.89 2.05 1yabB1 ILE 99 HG12 0.02 0.09 0.05 -0.04 1.49 1.61 1yabB1 ILE 99 HG13 0.03 -0.06 -0.05 -0.04 1.21 1.09 1yabB1 ILE 99 HG23 0.01 0.02 -0.00 -0.04 0.93 0.92 1yabB1 ILE 99 HD13 0.02 -0.01 -0.01 -0.04 0.88 0.84 1yabB1 HIS 100 H 0.20 0.14 0.10 -0.55 8.41 8.31 1yabB1 HIS 100 HA 0.00 0.01 0.54 -0.75 4.63 4.43 1yabB1 HIS 100 HB2 0.00 -0.01 0.17 -0.04 3.26 3.39 1yabB1 HIS 100 HB3 0.00 0.04 0.00 -0.04 3.20 3.20 1yabB1 HIS 100 HD2 0.00 -0.00 0.05 -0.04 6.97 6.98 1yabB1 HIS 100 HE1 0.00 0.00 0.02 -0.04 7.75 7.73 1yabB1 GLY 101 H -0.02 0.11 0.24 -0.55 8.43 8.22 1yabB1 GLY 101 HA2 -0.01 -0.01 0.30 -0.51 4.01 3.78 1yabB1 GLY 101 HA3 0.03 0.11 0.38 -0.51 4.01 4.02 1yabB1 SER 102 H 0.02 0.45 -0.02 -0.55 8.46 8.37 1yabB1 SER 102 HA 0.01 0.09 0.62 -0.75 4.49 4.46 1yabB1 SER 102 HB2 0.01 0.00 0.04 -0.04 3.95 3.96 1yabB1 SER 102 HB3 0.01 -0.02 0.03 -0.04 3.93 3.91 1yabB1 ILE 103 H 0.00 0.18 0.12 -0.55 8.25 8.01 1yabB1 ILE 103 HA -0.00 0.21 1.00 -0.75 4.18 4.63 1yabB1 ILE 103 HB 0.00 -0.04 0.13 -0.04 1.89 1.94 1yabB1 ILE 103 HG12 0.00 -0.02 -0.05 -0.04 1.49 1.38 1yabB1 ILE 103 HG13 -0.00 0.08 -0.24 -0.04 1.21 1.01 1yabB1 ILE 103 HG23 0.00 -0.01 -0.18 -0.04 0.93 0.70 1yabB1 ILE 103 HD13 0.00 -0.02 -0.01 -0.04 0.88 0.81 1yabB1 ILE 104 H -0.00 0.24 0.09 -0.55 8.25 8.03 1yabB1 ILE 104 HA 0.00 0.11 0.75 -0.75 4.18 4.29 1yabB1 ILE 104 HB -0.00 0.00 0.06 -0.04 1.89 1.91 1yabB1 ILE 104 HG12 0.00 0.02 -0.20 -0.04 1.49 1.27 1yabB1 ILE 104 HG13 0.00 0.01 -0.10 -0.04 1.21 1.08 1yabB1 ILE 104 HG23 -0.00 -0.01 -0.23 -0.04 0.93 0.65 1yabB1 ILE 104 HD13 0.00 0.03 -0.24 -0.04 0.88 0.63 1yabB1 GLU 105 H -0.00 0.18 0.16 -0.55 8.60 8.39 1yabB1 GLU 105 HA -0.00 0.18 0.88 -0.75 4.29 4.60 1yabB1 GLU 105 HB2 -0.00 0.03 -0.01 -0.04 2.09 2.06 1yabB1 GLU 105 HB3 -0.00 -0.02 0.07 -0.04 1.99 1.99 1yabB1 GLU 105 HG2 -0.00 0.07 -0.23 -0.04 2.34 2.13 1yabB1 GLU 105 HG3 -0.00 0.02 0.01 -0.04 2.34 2.33 1yabB1 LEU 106 H -0.00 0.27 0.11 -0.55 8.37 8.20 1yabB1 LEU 106 HA -0.00 0.23 0.98 -0.75 4.35 4.80 1yabB1 LEU 106 HB2 -0.01 -0.28 -0.09 -0.04 1.64 1.22 1yabB1 LEU 106 HB3 -0.01 0.03 -0.23 -0.04 1.64 1.40 1yabB1 LEU 106 HG -0.01 0.06 -0.13 -0.04 1.64 1.52 1yabB1 LEU 106 HD13 -0.01 0.00 -0.06 -0.04 0.93 0.82 1yabB1 LEU 106 HD23 -0.01 -0.00 -0.20 -0.04 0.89 0.64 1yabB1 ASP 107 H -0.01 0.27 0.11 -0.55 8.40 8.22 1yabB1 ASP 107 HA -0.00 0.02 0.25 -0.75 4.63 4.15 1yabB1 ASP 107 HB2 -0.01 -0.01 0.10 -0.04 2.71 2.75 1yabB1 ASP 107 HB3 -0.01 0.15 0.26 -0.04 2.70 3.06 1yabB1 LYS 108 H -0.01 -0.09 -0.31 -0.55 8.42 7.46 1yabB1 LYS 108 HA -0.01 -0.06 0.17 -0.75 4.32 3.67 1yabB1 LYS 108 HB2 -0.01 -0.14 0.21 -0.04 1.87 1.88 1yabB1 LYS 108 HB3 -0.01 -0.02 0.08 -0.04 1.79 1.80 1yabB1 LYS 108 HG2 -0.02 0.15 0.07 -0.04 1.46 1.63 1yabB1 LYS 108 HG3 -0.01 0.24 -0.04 -0.04 1.46 1.60 1yabB1 LYS 108 HD2 -0.01 0.01 -0.01 -0.04 1.69 1.64 1yabB1 LYS 108 HD3 -0.01 -0.14 0.04 -0.04 1.68 1.52 1yabB1 LYS 108 HE2 -0.01 -0.09 0.00 -0.04 2.99 2.84 1yabB1 LYS 108 HE3 -0.02 0.02 0.06 -0.04 2.99 3.01 1yabB1 LEU 109 H -0.01 0.04 0.21 -0.55 8.37 8.07 1yabB1 LEU 109 HA -0.00 0.11 0.64 -0.75 4.35 4.33 1yabB1 LEU 109 HB2 -0.00 0.01 0.18 -0.04 1.64 1.78 1yabB1 LEU 109 HB3 -0.00 -0.15 0.07 -0.04 1.64 1.51 1yabB1 LEU 109 HG -0.00 -0.01 0.08 -0.04 1.64 1.67 1yabB1 LEU 109 HD13 -0.00 0.00 0.10 -0.04 0.93 0.99 1yabB1 LEU 109 HD23 -0.00 0.04 0.06 -0.04 0.89 0.94 1yabB1 THR 110 H -0.00 0.08 0.19 -0.55 8.28 8.01 1yabB1 THR 110 HA -0.00 0.17 0.36 -0.75 4.39 4.17 1yabB1 THR 110 HB -0.00 -0.07 0.13 -0.04 4.32 4.34 1yabB1 THR 110 HG23 0.00 0.01 -0.01 -0.04 1.22 1.18 1yabB1 GLY 111 H -0.00 -0.03 -0.05 -0.55 8.43 7.80 1yabB1 GLY 111 HA2 -0.00 0.08 0.41 -0.51 4.01 3.99 1yabB1 GLY 111 HA3 -0.00 -0.04 0.26 -0.51 4.01 3.71 1yabB1 GLU 112 H -0.01 0.02 -0.39 -0.55 8.60 7.67 1yabB1 GLU 112 HA -0.01 0.02 0.28 -0.75 4.29 3.83 1yabB1 GLU 112 HB2 -0.01 0.06 0.05 -0.04 2.09 2.15 1yabB1 GLU 112 HB3 -0.01 0.16 -0.04 -0.04 1.99 2.06 1yabB1 GLU 112 HG2 -0.01 0.03 0.02 -0.04 2.34 2.34 1yabB1 GLU 112 HG3 -0.01 -0.12 0.01 -0.04 2.34 2.18 1yabB1 PRO 113 HA -0.01 0.08 0.65 -0.51 4.44 4.65 1yabB1 PRO 113 HB2 -0.01 -0.06 -0.01 -0.04 2.28 2.16 1yabB1 PRO 113 HB3 -0.01 -0.02 -0.01 -0.04 2.02 1.95 1yabB1 PRO 113 HG2 -0.01 -0.01 0.02 -0.04 2.03 1.99 1yabB1 PRO 113 HG3 -0.01 0.05 0.04 -0.04 2.03 2.08 1yabB1 PRO 113 HD2 -0.01 0.03 0.18 -0.04 3.68 3.84 1yabB1 PRO 113 HD3 -0.01 0.19 0.18 -0.04 3.65 3.97 1yabB1 VAL 114 H -0.02 0.33 0.38 -0.55 8.24 8.38 1yabB1 VAL 114 HA -0.03 0.15 0.58 -0.75 4.13 4.08 1yabB1 VAL 114 HB -0.04 -0.00 0.17 -0.04 2.12 2.21 1yabB1 VAL 114 HG13 -0.05 0.02 -0.16 -0.04 0.97 0.74 1yabB1 VAL 114 HG23 -0.05 0.07 0.06 -0.04 0.95 0.98 1yabB1 ASP 115 H -0.03 0.26 0.24 -0.55 8.40 8.33 1yabB1 ASP 115 HA -0.02 0.17 1.02 -0.75 4.63 5.04 1yabB1 ASP 115 HB2 -0.01 -0.02 -0.03 -0.04 2.71 2.60 1yabB1 ASP 115 HB3 -0.01 0.01 0.00 -0.04 2.70 2.66 1yabB1 ILE 116 H -0.01 0.90 0.41 -0.55 8.25 9.00 1yabB1 ILE 116 HA -0.02 0.20 0.90 -0.75 4.18 4.51 1yabB1 ILE 116 HB -0.01 -0.06 0.06 -0.04 1.89 1.84 1yabB1 ILE 116 HG12 -0.02 0.01 -0.23 -0.04 1.49 1.21 1yabB1 ILE 116 HG13 -0.02 -0.02 -0.27 -0.04 1.21 0.86 1yabB1 ILE 116 HG23 -0.01 -0.00 -0.23 -0.04 0.93 0.64 1yabB1 ILE 116 HD13 -0.01 -0.02 -0.35 -0.04 0.88 0.45 1yabB1 LEU 117 H -0.01 0.66 0.33 -0.55 8.37 8.80 1yabB1 LEU 117 HA -0.01 0.14 0.99 -0.75 4.35 4.71 1yabB1 LEU 117 HB2 -0.01 -0.14 -0.27 -0.04 1.64 1.18 1yabB1 LEU 117 HB3 -0.01 0.01 -0.46 -0.04 1.64 1.14 1yabB1 LEU 117 HG -0.01 0.10 -0.01 -0.04 1.64 1.68 1yabB1 LEU 117 HD13 -0.01 0.01 -0.12 -0.04 0.93 0.77 1yabB1 LEU 117 HD23 -0.01 -0.00 -0.29 -0.04 0.89 0.54 1yabB1 VAL 118 H -0.01 0.55 0.17 -0.55 8.24 8.40 1yabB1 VAL 118 HA -0.00 0.19 0.96 -0.75 4.13 4.51 1yabB1 VAL 118 HB -0.00 0.09 0.09 -0.04 2.12 2.26 1yabB1 VAL 118 HG13 -0.00 0.01 -0.22 -0.04 0.97 0.72 1yabB1 VAL 118 HG23 -0.00 -0.01 -0.17 -0.04 0.95 0.72 1yabB1 ASN 119 H -0.00 0.55 0.18 -0.55 8.53 8.71 1yabB1 ASN 119 HA -0.00 0.03 0.35 -0.75 4.76 4.39 1yabB1 ASN 119 HB2 -0.00 0.13 -0.04 -0.04 2.88 2.93 1yabB1 ASN 119 HB3 -0.00 0.04 0.26 -0.04 2.79 3.05 1yabB1 ASN 119 HD21 -0.00 0.01 0.03 -0.04 7.03 7.03 1yabB1 ASN 119 HD22 -0.00 0.08 -0.01 -0.04 7.74 7.77 1yabB1 GLY 120 H -0.00 0.07 -0.45 -0.55 8.43 7.50 1yabB1 GLY 120 HA2 -0.01 -0.05 0.14 -0.51 4.01 3.58 1yabB1 GLY 120 HA3 -0.00 0.08 0.25 -0.51 4.01 3.83 1yabB1 LYS 121 H -0.00 0.43 -0.55 -0.55 8.42 7.74 1yabB1 LYS 121 HA -0.00 0.11 0.91 -0.75 4.32 4.57 1yabB1 LYS 121 HB2 -0.00 0.06 0.09 -0.04 1.87 1.98 1yabB1 LYS 121 HB3 -0.00 -0.04 -0.01 -0.04 1.79 1.70 1yabB1 LYS 121 HG2 -0.00 -0.04 -0.30 -0.04 1.46 1.08 1yabB1 LYS 121 HG3 -0.00 0.09 0.07 -0.04 1.46 1.57 1yabB1 LYS 121 HD2 -0.00 -0.05 0.08 -0.04 1.69 1.67 1yabB1 LYS 121 HD3 -0.00 0.35 0.17 -0.04 1.68 2.16 1yabB1 LYS 121 HE2 -0.00 -0.08 0.05 -0.04 2.99 2.92 1yabB1 LYS 121 HE3 -0.00 -0.08 0.09 -0.04 2.99 2.96 1yabB1 LEU 122 H -0.01 0.18 0.06 -0.55 8.37 8.05 1yabB1 LEU 122 HA -0.01 -0.01 0.26 -0.75 4.35 3.84 1yabB1 LEU 122 HB2 -0.01 -0.00 -0.01 -0.04 1.64 1.57 1yabB1 LEU 122 HB3 -0.01 0.01 0.15 -0.04 1.64 1.75 1yabB1 LEU 122 HG -0.01 -0.01 -0.07 -0.04 1.64 1.51 1yabB1 LEU 122 HD13 -0.01 -0.02 -0.27 -0.04 0.93 0.59 1yabB1 LEU 122 HD23 -0.01 -0.00 -0.06 -0.04 0.89 0.78 1yabB1 ILE 123 H -0.01 0.41 0.49 -0.55 8.25 8.60 1yabB1 ILE 123 HA -0.00 0.18 1.00 -0.75 4.18 4.60 1yabB1 ILE 123 HB -0.00 -0.09 0.17 -0.04 1.89 1.92 1yabB1 ILE 123 HG12 -0.00 -0.03 0.03 -0.04 1.49 1.45 1yabB1 ILE 123 HG13 -0.01 0.10 -0.05 -0.04 1.21 1.21 1yabB1 ILE 123 HG23 -0.00 0.18 -0.09 -0.04 0.93 0.98 1yabB1 ILE 123 HD13 -0.00 -0.03 -0.06 -0.04 0.88 0.75 1yabB1 ALA 124 H -0.01 0.32 0.27 -0.55 8.40 8.43 1yabB1 ALA 124 HA -0.01 0.07 0.52 -0.75 4.34 4.17 1yabB1 ALA 124 HB3 -0.01 0.06 0.09 -0.04 1.41 1.51 1yabB1 ARG 125 H -0.01 0.53 0.35 -0.55 8.46 8.78 1yabB1 ARG 125 HA -0.01 0.20 0.82 -0.75 4.34 4.60 1yabB1 ARG 125 HB2 -0.01 -0.07 0.01 -0.04 1.90 1.79 1yabB1 ARG 125 HB3 -0.01 0.08 -0.12 -0.04 1.80 1.71 1yabB1 ARG 125 HG2 -0.01 0.03 -0.15 -0.04 1.67 1.49 1yabB1 ARG 125 HG3 -0.01 -0.11 -0.33 -0.04 1.67 1.18 1yabB1 ARG 125 HD2 -0.01 -0.05 -0.09 -0.04 3.22 3.03 1yabB1 ARG 125 HD3 -0.01 0.16 -0.09 -0.04 3.22 3.23 1yabB1 GLY 126 H -0.02 0.73 0.28 -0.55 8.43 8.88 1yabB1 GLY 126 HA2 -0.01 -0.31 0.90 -0.51 4.01 4.08 1yabB1 GLY 126 HA3 -0.01 0.14 0.32 -0.51 4.01 3.95 1yabB1 GLU 127 H -0.01 0.57 0.35 -0.55 8.60 8.96 1yabB1 GLU 127 HA -0.01 0.14 0.99 -0.75 4.29 4.65 1yabB1 GLU 127 HB2 0.00 -0.04 0.15 -0.04 2.09 2.16 1yabB1 GLU 127 HB3 0.00 0.11 0.00 -0.04 1.99 2.07 1yabB1 GLU 127 HG2 -0.00 -0.06 -0.05 -0.04 2.34 2.19 1yabB1 GLU 127 HG3 0.00 -0.00 0.02 -0.04 2.34 2.31 1yabB1 VAL 128 H -0.02 0.16 0.20 -0.55 8.24 8.03 1yabB1 VAL 128 HA -0.03 0.16 0.69 -0.75 4.13 4.20 1yabB1 VAL 128 HB -0.01 -0.02 0.17 -0.04 2.12 2.22 1yabB1 VAL 128 HG13 -0.01 -0.00 -0.13 -0.04 0.97 0.79 1yabB1 VAL 128 HG23 -0.12 0.00 0.04 -0.04 0.95 0.84 1yabB1 VAL 129 H 0.04 0.70 0.30 -0.55 8.24 8.73 1yabB1 VAL 129 HA 0.06 0.22 0.77 -0.75 4.13 4.42 1yabB1 VAL 129 HB 0.04 -0.00 0.00 -0.04 2.12 2.11 1yabB1 VAL 129 HG13 0.02 0.02 -0.22 -0.04 0.97 0.75 1yabB1 VAL 129 HG23 0.03 -0.02 -0.39 -0.04 0.95 0.52 1yabB1 VAL 130 H 0.06 0.24 0.08 -0.55 8.24 8.07 1yabB1 VAL 130 HA 0.11 -0.02 1.12 -0.75 4.13 4.59 1yabB1 VAL 130 HB 0.02 0.00 0.07 -0.04 2.12 2.17 1yabB1 VAL 130 HG13 -0.05 -0.03 -0.62 -0.04 0.97 0.23 1yabB1 VAL 130 HG23 0.06 -0.01 -0.20 -0.04 0.95 0.75 1yabB1 ILE 131 H 0.05 0.37 0.14 -0.55 8.25 8.26 1yabB1 ILE 131 HA 0.02 0.08 0.73 -0.75 4.18 4.25 1yabB1 ILE 131 HB 0.03 0.08 0.12 -0.04 1.89 2.08 1yabB1 ILE 131 HG12 0.02 0.02 -0.05 -0.04 1.49 1.45 1yabB1 ILE 131 HG13 0.02 0.01 -0.14 -0.04 1.21 1.07 1yabB1 ILE 131 HG23 0.01 -0.01 -0.01 -0.04 0.93 0.88 1yabB1 ILE 131 HD13 0.04 -0.01 -0.21 -0.04 0.88 0.66 1yabB1 ASP 132 H -0.00 0.25 -0.19 -0.55 8.40 7.90 1yabB1 ASP 132 HA -0.02 0.02 0.30 -0.75 4.63 4.18 1yabB1 ASP 132 HB2 -0.01 0.02 -0.01 -0.04 2.71 2.67 1yabB1 ASP 132 HB3 -0.01 0.00 0.03 -0.04 2.70 2.68 1yabB1 GLU 133 H -0.02 0.19 0.33 -0.55 8.60 8.56 1yabB1 GLU 133 HA -0.06 0.12 0.71 -0.75 4.29 4.31 1yabB1 GLU 133 HB2 -0.02 -0.02 0.17 -0.04 2.09 2.19 1yabB1 GLU 133 HB3 -0.03 0.00 0.04 -0.04 1.99 1.96 1yabB1 GLU 133 HG2 -0.02 -0.05 0.07 -0.04 2.34 2.30 1yabB1 GLU 133 HG3 -0.01 0.00 0.04 -0.04 2.34 2.33 1yabB1 ASN 134 H -0.01 0.20 0.13 -0.55 8.53 8.30 1yabB1 ASN 134 HA -0.01 0.11 0.60 -0.75 4.76 4.70 1yabB1 ASN 134 HB2 0.06 0.01 -0.05 -0.04 2.88 2.87 1yabB1 ASN 134 HB3 0.10 0.09 0.12 -0.04 2.79 3.07 1yabB1 ASN 134 HD21 0.01 -0.02 -0.01 -0.04 7.03 6.97 1yabB1 ASN 134 HD22 0.04 0.05 0.00 -0.04 7.74 7.79 1yabB1 PHE 135 H 0.17 0.08 0.10 -0.55 8.34 8.14 1yabB1 PHE 135 HA -0.00 0.19 0.47 -0.75 4.62 4.53 1yabB1 PHE 135 HB2 -0.00 -0.05 0.25 -0.04 3.15 3.31 1yabB1 PHE 135 HB3 -0.00 0.04 0.10 -0.04 3.06 3.16 1yabB1 PHE 135 HD2 -0.00 0.05 0.09 -0.04 7.28 7.37 1yabB1 PHE 135 HE2 -0.00 -0.00 -0.02 -0.04 7.38 7.31 1yabB1 PHE 135 HZ -0.00 -0.00 -0.01 -0.04 7.32 7.26 1yabB1 GLY 136 H 0.16 0.71 0.28 -0.55 8.43 9.03 1yabB1 GLY 136 HA2 0.04 0.17 0.52 -0.51 4.01 4.23 1yabB1 GLY 136 HA3 0.05 0.00 0.25 -0.51 4.01 3.80 1yabB1 VAL 137 H 0.01 0.27 0.09 -0.55 8.24 8.06 1yabB1 VAL 137 HA -0.00 0.27 1.01 -0.75 4.13 4.65 1yabB1 VAL 137 HB -0.01 -0.04 -0.11 -0.04 2.12 1.92 1yabB1 VAL 137 HG13 -0.02 0.04 -0.40 -0.04 0.97 0.55 1yabB1 VAL 137 HG23 -0.03 0.00 -0.32 -0.04 0.95 0.56 1yabB1 ARG 138 H 0.00 0.49 0.17 -0.55 8.46 8.57 1yabB1 ARG 138 HA 0.00 0.12 0.82 -0.75 4.34 4.54 1yabB1 ARG 138 HB2 0.01 -0.01 0.06 -0.04 1.90 1.91 1yabB1 ARG 138 HB3 0.00 -0.05 0.06 -0.04 1.80 1.78 1yabB1 ARG 138 HG2 0.00 0.06 -0.05 -0.04 1.67 1.65 1yabB1 ARG 138 HG3 0.01 -0.00 0.03 -0.04 1.67 1.66 1yabB1 ARG 138 HD2 0.00 0.03 -0.04 -0.04 3.22 3.18 1yabB1 ARG 138 HD3 0.01 -0.01 -0.03 -0.04 3.22 3.15 1yabB1 ILE 139 H 0.00 0.18 0.05 -0.55 8.25 7.93 1yabB1 ILE 139 HA -0.01 0.04 0.45 -0.75 4.18 3.91 1yabB1 ILE 139 HB -0.00 -0.01 0.11 -0.04 1.89 1.94 1yabB1 ILE 139 HG12 -0.01 0.02 -0.16 -0.04 1.49 1.30 1yabB1 ILE 139 HG13 -0.00 -0.02 -0.17 -0.04 1.21 0.98 1yabB1 ILE 139 HG23 -0.00 0.01 -0.27 -0.04 0.93 0.63 1yabB1 ILE 139 HD13 -0.00 0.00 -0.05 -0.04 0.88 0.80 1yabB1 THR 140 H -0.01 0.16 0.63 -0.55 8.28 8.51 1yabB1 THR 140 HA -0.00 0.03 0.45 -0.75 4.39 4.11 1yabB1 THR 140 HB -0.01 0.06 -0.04 -0.04 4.32 4.29 1yabB1 THR 140 HG23 -0.00 -0.00 -0.10 -0.04 1.22 1.07 1yabB1 GLU 141 H -0.00 0.61 0.22 -0.55 8.60 8.88 1yabB1 GLU 141 HA -0.00 0.15 0.78 -0.75 4.29 4.47 1yabB1 GLU 141 HB2 -0.00 -0.00 -0.09 -0.04 2.09 1.95 1yabB1 GLU 141 HB3 -0.00 0.07 0.01 -0.04 1.99 2.02 1yabB1 GLU 141 HG2 -0.00 0.05 -0.23 -0.04 2.34 2.11 1yabB1 GLU 141 HG3 -0.00 -0.05 -0.04 -0.04 2.34 2.20 1yabB1 ILE 142 H -0.00 0.25 0.18 -0.55 8.25 8.13 1yabB1 ILE 142 HA -0.00 0.15 1.05 -0.75 4.18 4.62 1yabB1 ILE 142 HB -0.00 -0.05 -0.25 -0.04 1.89 1.55 1yabB1 ILE 142 HG12 -0.00 0.19 0.14 -0.04 1.49 1.78 1yabB1 ILE 142 HG13 -0.00 0.08 0.23 -0.04 1.21 1.47 1yabB1 ILE 142 HG23 -0.00 0.02 -0.12 -0.04 0.93 0.78 1yabB1 ILE 142 HD13 -0.00 -0.03 -0.03 -0.04 0.88 0.77 1yabB1 VAL 143 H -0.00 0.45 0.24 -0.55 8.24 8.37 1yabB1 VAL 143 HA -0.00 0.01 0.60 -0.75 4.13 3.98 1yabB1 VAL 143 HB -0.00 0.21 0.19 -0.04 2.12 2.47 1yabB1 VAL 143 HG13 -0.00 -0.03 -0.28 -0.04 0.97 0.62 1yabB1 VAL 143 HG23 -0.00 -0.00 0.02 -0.04 0.95 0.92 1yabB1 SER 144 H -0.00 0.05 0.15 -0.55 8.46 8.11 1yabB1 SER 144 HA -0.00 0.23 0.51 -0.75 4.49 4.47 1yabB1 SER 144 HB2 -0.00 0.09 0.14 -0.04 3.95 4.14 1yabB1 SER 144 HB3 -0.00 0.04 0.16 -0.04 3.93 4.09 1yabB1 PRO 145 HA -0.00 0.14 0.23 -0.51 4.44 4.29 1yabB1 PRO 145 HB2 -0.00 0.06 -0.01 -0.04 2.28 2.29 1yabB1 PRO 145 HB3 -0.00 0.09 0.11 -0.04 2.02 2.18 1yabB1 PRO 145 HG2 -0.00 -0.04 0.11 -0.04 2.03 2.06 1yabB1 PRO 145 HG3 -0.00 0.10 0.10 -0.04 2.03 2.18 1yabB1 PRO 145 HD2 -0.00 0.06 0.23 -0.04 3.68 3.93 1yabB1 PRO 145 HD3 -0.00 0.22 0.21 -0.04 3.65 4.04 1yabB1 LYS 146 H -0.00 0.10 -0.21 -0.55 8.42 7.75 1yabB1 LYS 146 HA -0.00 0.13 0.43 -0.75 4.32 4.13 1yabB1 LYS 146 HB2 -0.00 0.07 0.07 -0.04 1.87 1.96 1yabB1 LYS 146 HB3 -0.00 -0.00 0.10 -0.04 1.79 1.84 1yabB1 LYS 146 HG2 -0.00 -0.06 -0.05 -0.04 1.46 1.31 1yabB1 LYS 146 HG3 -0.00 0.04 -0.11 -0.04 1.46 1.34 1yabB1 LYS 146 HD2 -0.00 -0.01 0.02 -0.04 1.69 1.65 1yabB1 LYS 146 HD3 -0.00 0.00 0.00 -0.04 1.68 1.64 1yabB1 LYS 146 HE2 -0.00 0.02 0.00 -0.04 2.99 2.97 1yabB1 LYS 146 HE3 -0.00 0.02 -0.02 -0.04 2.99 2.95 1yabB1 GLU 147 H -0.00 0.14 -0.12 -0.55 8.60 8.07 1yabB1 GLU 147 HA -0.00 0.04 0.39 -0.75 4.29 3.97 1yabB1 GLU 147 HB2 -0.00 0.06 0.06 -0.04 2.09 2.16 1yabB1 GLU 147 HB3 -0.00 0.03 0.09 -0.04 1.99 2.06 1yabB1 GLU 147 HG2 -0.00 -0.03 0.07 -0.04 2.34 2.34 1yabB1 GLU 147 HG3 -0.00 0.22 0.10 -0.04 2.34 2.61 1yabB1 ARG 148 H -0.00 0.39 -0.44 -0.55 8.46 7.86 1yabB1 ARG 148 HA -0.00 0.07 0.54 -0.75 4.34 4.20 1yabB1 ARG 148 HB2 -0.00 0.20 0.05 -0.04 1.90 2.11 1yabB1 ARG 148 HB3 -0.00 -0.00 -0.11 -0.04 1.80 1.64 1yabB1 ARG 148 HG2 -0.00 -0.01 -0.03 -0.04 1.67 1.59 1yabB1 ARG 148 HG3 -0.00 0.05 -0.28 -0.04 1.67 1.40 1yabB1 ARG 148 HD2 -0.00 -0.01 -0.07 -0.04 3.22 3.09 1yabB1 ARG 148 HD3 -0.00 -0.02 -0.07 -0.04 3.22 3.09 1yabB1 LEU 149 H -0.00 0.37 -0.18 -0.55 8.37 8.01 1yabB1 LEU 149 HA -0.00 0.06 0.49 -0.75 4.35 4.15 1yabB1 LEU 149 HB2 -0.00 0.09 0.19 -0.04 1.64 1.88 1yabB1 LEU 149 HB3 -0.00 -0.02 -0.02 -0.04 1.64 1.55 1yabB1 LEU 149 HG -0.00 -0.02 -0.03 -0.04 1.64 1.55 1yabB1 LEU 149 HD13 -0.00 -0.01 0.01 -0.04 0.93 0.89 1yabB1 LEU 149 HD23 -0.00 -0.00 0.06 -0.04 0.89 0.91 1yabB1 GLU 150 H -0.00 0.24 -0.15 -0.55 8.60 8.15 1yabB1 GLU 150 HA -0.00 0.03 0.44 -0.75 4.29 4.01 1yabB1 GLU 150 HB2 -0.00 -0.11 0.19 -0.04 2.09 2.13 1yabB1 GLU 150 HB3 -0.00 0.02 0.14 -0.04 1.99 2.11 1yabB1 GLU 150 HG2 -0.00 -0.01 -0.01 -0.04 2.34 2.28 1yabB1 GLU 150 HG3 -0.00 0.01 0.00 -0.04 2.34 2.31 1yabB1 LEU 151 H -0.00 0.45 0.01 -0.55 8.37 8.28 1yabB1 LEU 151 HA -0.00 -0.05 0.16 -0.75 4.35 3.70 1yabB1 LEU 151 HB2 -0.00 0.13 0.12 -0.04 1.64 1.85 1yabB1 LEU 151 HB3 -0.00 -0.01 -0.03 -0.04 1.64 1.55 1yabB1 LEU 151 HG -0.00 -0.06 0.05 -0.04 1.64 1.59 1yabB1 LEU 151 HD13 -0.00 -0.04 0.07 -0.04 0.93 0.92 1yabB1 LEU 151 HD23 -0.00 -0.03 -0.04 -0.04 0.89 0.79 1yabB1 LEU 152 H -0.00 0.03 -1.27 -0.55 8.37 6.58 1yabB1 LEU 152 HA -0.00 0.03 0.40 -0.75 4.35 4.03 1yabB1 LEU 152 HB2 -0.00 0.46 0.19 -0.04 1.64 2.24 1yabB1 LEU 152 HB3 -0.00 -0.22 0.20 -0.04 1.64 1.58 1yabB1 LEU 152 HG -0.00 -0.06 -0.06 -0.04 1.64 1.48 1yabB1 LEU 152 HD13 -0.00 -0.01 -0.11 -0.04 0.93 0.77 1yabB1 LEU 152 HD23 -0.00 -0.01 -0.08 -0.04 0.89 0.75 1yabB1 ASN 153 H -0.00 0.29 0.03 -0.55 8.53 8.31 1yabB1 ASN 153 HA -0.00 -0.22 0.67 -0.75 4.76 4.46 1yabB1 ASN 153 HB2 -0.00 -0.06 -0.01 -0.04 2.88 2.77 1yabB1 ASN 153 HB3 -0.00 -0.04 0.05 -0.04 2.79 2.76 1yabB1 GLU 154 H -0.00 -0.01 0.04 -0.55 8.60 8.09 1yabB1 GLU 154 HA -0.00 -0.00 0.12 -0.75 4.29 3.65 1yabB1 GLU 154 HB2 -0.00 -0.08 0.03 -0.04 2.09 2.00 1yabB1 GLU 154 HB3 -0.00 0.75 -0.12 -0.04 1.99 2.57 1yabB1 GLU 154 HG2 -0.00 -0.08 -0.03 -0.04 2.34 2.18 1yabB1 GLU 154 HG3 -0.00 -0.12 -0.13 -0.04 2.34 2.05