============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 4 rings ring int. center anis. iso. TYR 3 0.840 -7.728 22.530 14.452 -99.200 -91.000 HIS 32 0.900 1.131 10.181 -20.631 -99.200 -91.000 PHE 47 1.000 -5.589 16.377 14.623 -99.200 -91.000 TYR 72 0.840 6.496 13.674 10.787 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2cuwA1 PRO 2 HA -0.12 -0.06 0.20 -0.51 4.44 3.95 2cuwA1 PRO 2 HB2 -0.77 -0.03 -0.14 -0.04 2.28 1.30 2cuwA1 PRO 2 HB3 -0.27 0.00 0.09 -0.04 2.02 1.81 2cuwA1 PRO 2 HG2 -0.03 -0.10 -0.02 -0.04 2.03 1.85 2cuwA1 PRO 2 HG3 -0.05 -0.01 0.05 -0.04 2.03 1.97 2cuwA1 PRO 2 HD2 0.24 -0.09 -0.15 -0.04 3.68 3.63 2cuwA1 PRO 2 HD3 0.06 0.04 0.07 -0.04 3.65 3.78 2cuwA1 ARG 3 H -0.26 0.18 0.15 -0.55 8.46 7.97 2cuwA1 ARG 3 HA -0.15 0.17 0.72 -0.75 4.34 4.32 2cuwA1 ARG 3 HB2 -0.16 0.04 0.11 -0.04 1.90 1.85 2cuwA1 ARG 3 HB3 -0.12 0.04 -0.06 -0.04 1.80 1.61 2cuwA1 ARG 3 HG2 -0.06 0.00 -0.10 -0.04 1.67 1.47 2cuwA1 ARG 3 HG3 -0.08 -0.03 -0.03 -0.04 1.67 1.48 2cuwA1 ARG 3 HD2 -0.04 0.00 -0.09 -0.04 3.22 3.06 2cuwA1 ARG 3 HD3 -0.03 -0.02 -0.06 -0.04 3.22 3.07 2cuwA1 TYR 4 H -0.26 0.80 0.39 -0.55 8.29 8.67 2cuwA1 TYR 4 HA -0.19 0.22 1.10 -0.75 4.56 4.94 2cuwA1 TYR 4 HB2 -0.94 0.05 -0.04 -0.04 3.06 2.09 2cuwA1 TYR 4 HB3 -0.29 -0.03 -0.08 -0.04 2.98 2.54 2cuwA1 TYR 4 HD2 -0.22 0.08 -0.30 -0.04 7.15 6.67 2cuwA1 TYR 4 HE2 -0.06 0.08 -0.20 -0.04 6.85 6.62 2cuwA1 GLN 5 H 0.02 0.52 0.28 -0.55 8.47 8.76 2cuwA1 GLN 5 HA 0.06 0.37 1.01 -0.75 4.36 5.04 2cuwA1 GLN 5 HB2 0.00 -0.01 -0.12 -0.04 2.15 1.98 2cuwA1 GLN 5 HB3 0.02 -0.05 0.06 -0.04 2.02 2.01 2cuwA1 GLN 5 HG2 0.06 0.02 -0.37 -0.04 2.40 2.06 2cuwA1 GLN 5 HG3 0.05 0.00 -0.23 -0.04 2.39 2.18 2cuwA1 GLN 5 HE21 0.02 -0.01 -0.10 -0.04 6.97 6.84 2cuwA1 GLN 5 HE22 0.03 -0.01 -0.19 -0.04 7.69 7.48 2cuwA1 ALA 6 H 0.24 0.75 0.34 -0.55 8.40 9.18 2cuwA1 ALA 6 HA 0.13 0.22 1.07 -0.75 4.34 5.00 2cuwA1 ALA 6 HB3 0.25 -0.00 0.08 -0.04 1.41 1.69 2cuwA1 THR 7 H 0.07 0.81 0.32 -0.55 8.28 8.94 2cuwA1 THR 7 HA 0.05 0.22 0.97 -0.75 4.39 4.87 2cuwA1 THR 7 HB 0.04 -0.15 0.23 -0.04 4.32 4.40 2cuwA1 THR 7 HG23 0.03 0.00 -0.13 -0.04 1.22 1.08 2cuwA1 LEU 8 H 0.04 0.70 0.28 -0.55 8.37 8.84 2cuwA1 LEU 8 HA 0.07 0.22 1.07 -0.75 4.35 4.95 2cuwA1 LEU 8 HB2 0.01 0.01 0.18 -0.04 1.64 1.80 2cuwA1 LEU 8 HB3 0.02 0.02 -0.03 -0.04 1.64 1.61 2cuwA1 LEU 8 HG 0.02 -0.12 -0.16 -0.04 1.64 1.33 2cuwA1 LEU 8 HD13 -0.10 0.05 0.03 -0.04 0.93 0.86 2cuwA1 LEU 8 HD23 0.00 0.01 -0.12 -0.04 0.89 0.73 2cuwA1 LEU 9 H 0.08 0.59 0.43 -0.55 8.37 8.92 2cuwA1 LEU 9 HA 0.04 0.27 1.06 -0.75 4.35 4.96 2cuwA1 LEU 9 HB2 0.04 -0.03 0.16 -0.04 1.64 1.77 2cuwA1 LEU 9 HB3 0.03 0.01 -0.03 -0.04 1.64 1.61 2cuwA1 LEU 9 HG 0.04 -0.02 -0.05 -0.04 1.64 1.57 2cuwA1 LEU 9 HD13 0.02 -0.00 -0.05 -0.04 0.93 0.85 2cuwA1 LEU 9 HD23 0.02 0.01 -0.13 -0.04 0.89 0.76 2cuwA1 ILE 10 H 0.03 0.76 0.32 -0.55 8.25 8.82 2cuwA1 ILE 10 HA 0.08 0.29 1.04 -0.75 4.18 4.84 2cuwA1 ILE 10 HB 0.03 -0.11 0.20 -0.04 1.89 1.96 2cuwA1 ILE 10 HG12 0.07 0.06 -0.20 -0.04 1.49 1.38 2cuwA1 ILE 10 HG13 0.04 -0.07 -0.33 -0.04 1.21 0.81 2cuwA1 ILE 10 HG23 0.04 0.03 -0.13 -0.04 0.93 0.83 2cuwA1 ILE 10 HD13 0.01 0.03 -0.17 -0.04 0.88 0.70 2cuwA1 GLU 11 H 0.03 0.64 0.24 -0.55 8.60 8.97 2cuwA1 GLU 11 HA 0.01 0.12 1.00 -0.75 4.29 4.68 2cuwA1 GLU 11 HB2 0.00 0.06 -0.10 -0.04 2.09 2.02 2cuwA1 GLU 11 HB3 0.01 -0.03 -0.01 -0.04 1.99 1.91 2cuwA1 GLU 11 HG2 0.01 -0.02 -0.33 -0.04 2.34 1.97 2cuwA1 GLU 11 HG3 0.02 -0.03 -0.45 -0.04 2.34 1.84 2cuwA1 LEU 12 H 0.01 0.09 0.12 -0.55 8.37 8.04 2cuwA1 LEU 12 HA 0.01 0.13 0.63 -0.75 4.35 4.36 2cuwA1 LEU 12 HB2 0.00 -0.08 0.09 -0.04 1.64 1.62 2cuwA1 LEU 12 HB3 0.00 0.10 0.04 -0.04 1.64 1.74 2cuwA1 LEU 12 HG 0.01 0.02 0.14 -0.04 1.64 1.77 2cuwA1 LEU 12 HD13 0.00 -0.01 0.02 -0.04 0.93 0.90 2cuwA1 LEU 12 HD23 0.01 0.01 -0.00 -0.04 0.89 0.86 2cuwA1 LYS 13 H 0.00 0.21 0.24 -0.55 8.42 8.31 2cuwA1 LYS 13 HA -0.01 0.04 0.42 -0.75 4.32 4.02 2cuwA1 LYS 13 HB2 -0.00 0.03 0.10 -0.04 1.87 1.96 2cuwA1 LYS 13 HB3 -0.01 -0.06 0.13 -0.04 1.79 1.81 2cuwA1 LYS 13 HG2 -0.01 -0.08 -0.13 -0.04 1.46 1.20 2cuwA1 LYS 13 HG3 -0.00 0.10 0.09 -0.04 1.46 1.61 2cuwA1 LYS 13 HD2 -0.00 0.16 0.03 -0.04 1.69 1.84 2cuwA1 LYS 13 HD3 -0.01 -0.15 0.01 -0.04 1.68 1.50 2cuwA1 LYS 13 HE2 -0.01 -0.17 -0.11 -0.04 2.99 2.66 2cuwA1 LYS 13 HE3 0.00 0.40 -0.28 -0.04 2.99 3.07 2cuwA1 LYS 14 H -0.01 0.10 0.15 -0.55 8.42 8.10 2cuwA1 LYS 14 HA -0.00 0.05 0.43 -0.75 4.32 4.05 2cuwA1 LYS 14 HB2 -0.01 0.00 0.15 -0.04 1.87 1.97 2cuwA1 LYS 14 HB3 -0.00 0.01 -0.00 -0.04 1.79 1.75 2cuwA1 LYS 14 HG2 -0.01 0.00 0.03 -0.04 1.46 1.45 2cuwA1 LYS 14 HG3 -0.00 -0.00 0.03 -0.04 1.46 1.44 2cuwA1 LYS 14 HD2 -0.01 -0.02 -0.05 -0.04 1.69 1.57 2cuwA1 LYS 14 HD3 -0.01 0.01 0.05 -0.04 1.68 1.69 2cuwA1 LYS 14 HE2 -0.01 -0.02 -0.02 -0.04 2.99 2.91 2cuwA1 LYS 14 HE3 -0.01 -0.01 -0.04 -0.04 2.99 2.89 2cuwA1 GLY 15 H -0.00 0.13 0.10 -0.55 8.43 8.12 2cuwA1 GLY 15 HA2 -0.00 -0.04 0.33 -0.51 4.01 3.79 2cuwA1 GLY 15 HA3 -0.00 0.17 0.64 -0.51 4.01 4.31 2cuwA1 ILE 16 H -0.00 0.39 -0.54 -0.55 8.25 7.55 2cuwA1 ILE 16 HA 0.00 0.00 0.46 -0.75 4.18 3.89 2cuwA1 ILE 16 HB 0.00 0.09 0.04 -0.04 1.89 1.98 2cuwA1 ILE 16 HG12 0.00 0.02 -0.03 -0.04 1.49 1.44 2cuwA1 ILE 16 HG13 0.00 -0.03 -0.02 -0.04 1.21 1.12 2cuwA1 ILE 16 HG23 0.00 0.02 -0.12 -0.04 0.93 0.79 2cuwA1 ILE 16 HD13 -0.00 0.01 -0.16 -0.04 0.88 0.68 2cuwA1 LEU 17 H 0.00 0.10 0.20 -0.55 8.37 8.12 2cuwA1 LEU 17 HA 0.00 0.01 0.39 -0.75 4.35 4.00 2cuwA1 LEU 17 HB2 0.00 -0.01 0.16 -0.04 1.64 1.76 2cuwA1 LEU 17 HB3 0.00 -0.04 0.04 -0.04 1.64 1.60 2cuwA1 LEU 17 HG 0.00 0.05 0.15 -0.04 1.64 1.80 2cuwA1 LEU 17 HD13 0.00 -0.00 0.05 -0.04 0.93 0.94 2cuwA1 LEU 17 HD23 0.00 0.01 0.03 -0.04 0.89 0.89 2cuwA1 ASP 18 H 0.00 0.13 0.11 -0.55 8.40 8.10 2cuwA1 ASP 18 HA 0.00 0.27 0.97 -0.75 4.63 5.12 2cuwA1 ASP 18 HB2 0.00 0.22 0.07 -0.04 2.71 2.96 2cuwA1 ASP 18 HB3 0.00 -0.00 0.30 -0.04 2.70 2.96 2cuwA1 PRO 19 HA 0.00 0.06 0.42 -0.51 4.44 4.42 2cuwA1 PRO 19 HB2 0.00 0.06 0.00 -0.04 2.28 2.31 2cuwA1 PRO 19 HB3 0.00 0.06 0.09 -0.04 2.02 2.14 2cuwA1 PRO 19 HG2 0.00 -0.08 0.11 -0.04 2.03 2.02 2cuwA1 PRO 19 HG3 0.00 0.12 0.05 -0.04 2.03 2.16 2cuwA1 PRO 19 HD2 0.00 0.34 0.06 -0.04 3.68 4.04 2cuwA1 PRO 19 HD3 0.00 0.11 -0.16 -0.04 3.65 3.56 2cuwA1 GLN 20 H 0.00 0.19 -0.12 -0.55 8.47 7.99 2cuwA1 GLN 20 HA 0.00 0.08 0.38 -0.75 4.36 4.07 2cuwA1 GLN 20 HB2 0.00 -0.03 0.08 -0.04 2.15 2.16 2cuwA1 GLN 20 HB3 0.00 0.05 -0.00 -0.04 2.02 2.03 2cuwA1 GLN 20 HG2 0.00 0.02 0.03 -0.04 2.40 2.41 2cuwA1 GLN 20 HG3 0.00 -0.03 0.07 -0.04 2.39 2.40 2cuwA1 GLN 20 HE21 0.00 0.05 -0.02 -0.04 6.97 6.97 2cuwA1 GLN 20 HE22 0.00 -0.01 0.02 -0.04 7.69 7.66 2cuwA1 GLY 21 H 0.00 0.07 -0.19 -0.55 8.43 7.77 2cuwA1 GLY 21 HA2 0.00 -0.03 0.28 -0.51 4.01 3.75 2cuwA1 GLY 21 HA3 0.00 0.20 0.36 -0.51 4.01 4.07 2cuwA1 ARG 22 H 0.00 0.63 0.01 -0.55 8.46 8.55 2cuwA1 ARG 22 HA 0.00 0.01 0.44 -0.75 4.34 4.04 2cuwA1 ARG 22 HB2 0.00 0.06 0.18 -0.04 1.90 2.10 2cuwA1 ARG 22 HB3 0.00 -0.00 -0.02 -0.04 1.80 1.75 2cuwA1 ARG 22 HG2 0.00 -0.01 0.02 -0.04 1.67 1.64 2cuwA1 ARG 22 HG3 0.00 0.00 0.07 -0.04 1.67 1.70 2cuwA1 ARG 22 HD2 0.00 -0.05 -0.04 -0.04 3.22 3.09 2cuwA1 ARG 22 HD3 0.00 0.00 0.02 -0.04 3.22 3.20 2cuwA1 ALA 23 H 0.00 0.68 -0.10 -0.55 8.40 8.43 2cuwA1 ALA 23 HA 0.01 -0.02 0.38 -0.75 4.34 3.96 2cuwA1 ALA 23 HB3 0.00 0.03 0.12 -0.04 1.41 1.52 2cuwA1 VAL 24 H 0.01 0.64 -0.07 -0.55 8.24 8.26 2cuwA1 VAL 24 HA 0.01 -0.02 0.38 -0.75 4.13 3.75 2cuwA1 VAL 24 HB 0.01 0.09 0.12 -0.04 2.12 2.30 2cuwA1 VAL 24 HG13 0.00 -0.01 -0.12 -0.04 0.97 0.80 2cuwA1 VAL 24 HG23 0.00 0.06 0.00 -0.04 0.95 0.98 2cuwA1 GLU 25 H 0.01 0.61 -0.10 -0.55 8.60 8.57 2cuwA1 GLU 25 HA 0.01 -0.01 0.33 -0.75 4.29 3.87 2cuwA1 GLU 25 HB2 0.01 0.08 0.13 -0.04 2.09 2.27 2cuwA1 GLU 25 HB3 0.01 0.01 -0.03 -0.04 1.99 1.94 2cuwA1 GLU 25 HG2 0.01 -0.15 -0.05 -0.04 2.34 2.10 2cuwA1 GLU 25 HG3 0.01 0.65 0.20 -0.04 2.34 3.16 2cuwA1 GLY 26 H 0.01 0.63 -0.07 -0.55 8.43 8.45 2cuwA1 GLY 26 HA2 0.01 -0.03 0.35 -0.51 4.01 3.83 2cuwA1 GLY 26 HA3 0.01 0.05 0.32 -0.51 4.01 3.88 2cuwA1 VAL 27 H 0.01 0.55 -0.16 -0.55 8.24 8.10 2cuwA1 VAL 27 HA 0.01 0.01 0.47 -0.75 4.13 3.87 2cuwA1 VAL 27 HB 0.02 0.06 0.14 -0.04 2.12 2.30 2cuwA1 VAL 27 HG13 0.02 -0.01 -0.14 -0.04 0.97 0.80 2cuwA1 VAL 27 HG23 0.01 0.05 0.02 -0.04 0.95 0.99 2cuwA1 LEU 28 H 0.02 0.73 0.04 -0.55 8.37 8.62 2cuwA1 LEU 28 HA 0.07 -0.01 0.30 -0.75 4.35 3.96 2cuwA1 LEU 28 HB2 0.03 0.09 0.13 -0.04 1.64 1.85 2cuwA1 LEU 28 HB3 0.07 0.19 -0.05 -0.04 1.64 1.82 2cuwA1 LEU 28 HG 0.02 0.07 0.06 -0.04 1.64 1.74 2cuwA1 LEU 28 HD13 0.01 -0.02 -0.08 -0.04 0.93 0.79 2cuwA1 LEU 28 HD23 0.01 -0.02 0.00 -0.04 0.89 0.85 2cuwA1 LYS 29 H 0.03 0.54 -0.45 -0.55 8.42 7.99 2cuwA1 LYS 29 HA 0.02 -0.04 0.36 -0.75 4.32 3.91 2cuwA1 LYS 29 HB2 0.01 0.20 0.11 -0.04 1.87 2.16 2cuwA1 LYS 29 HB3 0.01 -0.03 -0.04 -0.04 1.79 1.69 2cuwA1 LYS 29 HG2 0.01 0.00 0.02 -0.04 1.46 1.45 2cuwA1 LYS 29 HG3 0.01 -0.09 0.08 -0.04 1.46 1.42 2cuwA1 LYS 29 HD2 0.02 -0.53 0.20 -0.04 1.69 1.34 2cuwA1 LYS 29 HD3 0.02 0.15 0.02 -0.04 1.68 1.83 2cuwA1 LYS 29 HE2 0.01 -0.07 -0.06 -0.04 2.99 2.83 2cuwA1 LYS 29 HE3 0.01 0.06 -0.36 -0.04 2.99 2.67 2cuwA1 ASP 30 H 0.01 0.48 -0.00 -0.55 8.40 8.35 2cuwA1 ASP 30 HA -0.00 -0.00 0.46 -0.75 4.63 4.34 2cuwA1 ASP 30 HB2 0.01 0.07 0.13 -0.04 2.71 2.88 2cuwA1 ASP 30 HB3 0.00 -0.08 0.15 -0.04 2.70 2.73 2cuwA1 LEU 31 H 0.02 0.24 -0.85 -0.55 8.37 7.23 2cuwA1 LEU 31 HA 0.00 0.13 0.79 -0.75 4.35 4.51 2cuwA1 LEU 31 HB2 0.10 0.08 0.02 -0.04 1.64 1.80 2cuwA1 LEU 31 HB3 0.08 -0.07 0.12 -0.04 1.64 1.73 2cuwA1 LEU 31 HG 0.03 0.23 -0.16 -0.04 1.64 1.70 2cuwA1 LEU 31 HD13 0.05 -0.04 -0.14 -0.04 0.93 0.76 2cuwA1 LEU 31 HD23 0.02 0.00 -0.09 -0.04 0.89 0.78 2cuwA1 GLY 32 H -0.03 0.46 -0.24 -0.55 8.43 8.07 2cuwA1 GLY 32 HA2 -0.09 -0.01 0.34 -0.51 4.01 3.74 2cuwA1 GLY 32 HA3 -0.18 0.04 0.52 -0.51 4.01 3.87 2cuwA1 HIS 33 H 0.02 0.57 -0.04 -0.55 8.41 8.42 2cuwA1 HIS 33 HA 0.00 0.16 0.83 -0.75 4.63 4.86 2cuwA1 HIS 33 HB2 0.00 0.04 0.06 -0.04 3.26 3.33 2cuwA1 HIS 33 HB3 0.00 -0.08 0.11 -0.04 3.20 3.19 2cuwA1 HIS 33 HD2 0.00 0.00 -0.09 -0.04 6.97 6.83 2cuwA1 HIS 33 HE1 0.00 -0.07 -0.00 -0.04 7.75 7.64 2cuwA1 PRO 34 HA 0.03 -0.03 0.33 -0.51 4.44 4.26 2cuwA1 PRO 34 HB2 0.01 -0.01 0.00 -0.04 2.28 2.25 2cuwA1 PRO 34 HB3 0.01 0.02 0.04 -0.04 2.02 2.05 2cuwA1 PRO 34 HG2 -0.00 0.02 0.02 -0.04 2.03 2.03 2cuwA1 PRO 34 HG3 0.00 0.05 0.10 -0.04 2.03 2.13 2cuwA1 PRO 34 HD2 -0.00 0.13 -0.09 -0.04 3.68 3.68 2cuwA1 PRO 34 HD3 -0.03 -0.04 -0.46 -0.04 3.65 3.09 2cuwA1 VAL 35 H 0.02 0.20 0.18 -0.55 8.24 8.09 2cuwA1 VAL 35 HA 0.02 0.18 0.82 -0.75 4.13 4.40 2cuwA1 VAL 35 HB 0.01 -0.11 0.07 -0.04 2.12 2.05 2cuwA1 VAL 35 HG13 0.03 0.10 -0.16 -0.04 0.97 0.90 2cuwA1 VAL 35 HG23 0.02 -0.01 -0.19 -0.04 0.95 0.73 2cuwA1 GLU 36 H 0.01 0.13 0.14 -0.55 8.60 8.34 2cuwA1 GLU 36 HA 0.01 0.15 0.62 -0.75 4.29 4.31 2cuwA1 GLU 36 HB2 0.01 -0.01 0.12 -0.04 2.09 2.17 2cuwA1 GLU 36 HB3 0.00 0.01 0.04 -0.04 1.99 2.00 2cuwA1 GLU 36 HG2 0.01 0.03 -0.02 -0.04 2.34 2.31 2cuwA1 GLU 36 HG3 0.01 -0.03 0.02 -0.04 2.34 2.30 2cuwA1 GLU 37 H 0.01 0.15 0.05 -0.55 8.60 8.26 2cuwA1 GLU 37 HA 0.00 0.13 0.57 -0.75 4.29 4.24 2cuwA1 GLU 37 HB2 0.00 0.13 -0.26 -0.04 2.09 1.92 2cuwA1 GLU 37 HB3 0.00 -0.04 -0.09 -0.04 1.99 1.81 2cuwA1 GLU 37 HG2 0.00 -0.03 -0.41 -0.04 2.34 1.86 2cuwA1 GLU 37 HG3 0.00 0.02 -0.02 -0.04 2.34 2.30 2cuwA1 VAL 38 H 0.00 0.27 0.07 -0.55 8.24 8.03 2cuwA1 VAL 38 HA 0.00 0.19 0.87 -0.75 4.13 4.44 2cuwA1 VAL 38 HB 0.00 0.12 0.12 -0.04 2.12 2.32 2cuwA1 VAL 38 HG13 0.00 -0.02 -0.18 -0.04 0.97 0.73 2cuwA1 VAL 38 HG23 0.01 0.00 -0.25 -0.04 0.95 0.66 2cuwA1 ARG 39 H 0.00 0.28 0.09 -0.55 8.46 8.28 2cuwA1 ARG 39 HA 0.00 0.11 0.92 -0.75 4.34 4.62 2cuwA1 ARG 39 HB2 0.00 0.01 0.07 -0.04 1.90 1.94 2cuwA1 ARG 39 HB3 0.00 0.06 0.00 -0.04 1.80 1.82 2cuwA1 ARG 39 HG2 0.00 0.05 -0.17 -0.04 1.67 1.51 2cuwA1 ARG 39 HG3 0.00 -0.05 -0.23 -0.04 1.67 1.35 2cuwA1 ARG 39 HD2 -0.00 0.10 -0.06 -0.04 3.22 3.21 2cuwA1 ARG 39 HD3 -0.00 -0.02 -0.09 -0.04 3.22 3.07 2cuwA1 VAL 40 H 0.00 0.11 0.15 -0.55 8.24 7.95 2cuwA1 VAL 40 HA 0.00 0.19 0.94 -0.75 4.13 4.52 2cuwA1 VAL 40 HB 0.00 -0.12 0.12 -0.04 2.12 2.08 2cuwA1 VAL 40 HG13 0.00 0.03 -0.10 -0.04 0.97 0.86 2cuwA1 VAL 40 HG23 0.00 -0.00 -0.23 -0.04 0.95 0.68 2cuwA1 GLY 41 H 0.01 0.19 0.16 -0.55 8.43 8.24 2cuwA1 GLY 41 HA2 0.01 0.19 0.91 -0.51 4.01 4.61 2cuwA1 GLY 41 HA3 0.01 0.05 0.36 -0.51 4.01 3.92 2cuwA1 LYS 42 H 0.02 0.67 0.37 -0.55 8.42 8.92 2cuwA1 LYS 42 HA 0.01 0.16 1.01 -0.75 4.32 4.74 2cuwA1 LYS 42 HB2 0.01 0.03 0.15 -0.04 1.87 2.02 2cuwA1 LYS 42 HB3 0.01 0.04 0.02 -0.04 1.79 1.82 2cuwA1 LYS 42 HG2 0.01 0.01 0.00 -0.04 1.46 1.44 2cuwA1 LYS 42 HG3 0.01 -0.06 -0.25 -0.04 1.46 1.12 2cuwA1 LYS 42 HD2 0.01 0.01 -0.01 -0.04 1.69 1.66 2cuwA1 LYS 42 HD3 0.01 -0.02 -0.02 -0.04 1.68 1.60 2cuwA1 LYS 42 HE2 0.01 -0.01 -0.00 -0.04 2.99 2.95 2cuwA1 LYS 42 HE3 0.01 0.00 0.03 -0.04 2.99 3.00 2cuwA1 VAL 43 H 0.01 0.23 0.22 -0.55 8.24 8.16 2cuwA1 VAL 43 HA 0.02 0.34 1.14 -0.75 4.13 4.88 2cuwA1 VAL 43 HB 0.02 -0.01 -0.04 -0.04 2.12 2.05 2cuwA1 VAL 43 HG13 0.01 -0.01 0.04 -0.04 0.97 0.97 2cuwA1 VAL 43 HG23 0.02 -0.01 -0.21 -0.04 0.95 0.71 2cuwA1 LEU 44 H 0.02 0.75 0.31 -0.55 8.37 8.91 2cuwA1 LEU 44 HA 0.02 0.14 0.96 -0.75 4.35 4.72 2cuwA1 LEU 44 HB2 0.01 0.00 0.12 -0.04 1.64 1.73 2cuwA1 LEU 44 HB3 0.01 0.03 -0.07 -0.04 1.64 1.56 2cuwA1 LEU 44 HG 0.01 0.05 -0.08 -0.04 1.64 1.58 2cuwA1 LEU 44 HD13 0.00 -0.03 -0.27 -0.04 0.93 0.60 2cuwA1 LEU 44 HD23 -0.01 0.01 -0.05 -0.04 0.89 0.79 2cuwA1 GLU 45 H 0.02 0.20 0.12 -0.55 8.60 8.39 2cuwA1 GLU 45 HA 0.05 0.22 0.84 -0.75 4.29 4.65 2cuwA1 GLU 45 HB2 0.03 -0.01 0.19 -0.04 2.09 2.25 2cuwA1 GLU 45 HB3 0.03 0.01 0.00 -0.04 1.99 2.00 2cuwA1 GLU 45 HG2 0.02 -0.03 -0.09 -0.04 2.34 2.20 2cuwA1 GLU 45 HG3 0.02 0.00 -0.02 -0.04 2.34 2.31 2cuwA1 ILE 46 H 0.09 0.70 0.31 -0.55 8.25 8.81 2cuwA1 ILE 46 HA 0.08 0.20 1.14 -0.75 4.18 4.85 2cuwA1 ILE 46 HB 0.12 -0.05 0.12 -0.04 1.89 2.04 2cuwA1 ILE 46 HG12 -0.03 0.04 -0.08 -0.04 1.49 1.38 2cuwA1 ILE 46 HG13 0.02 0.03 -0.26 -0.04 1.21 0.96 2cuwA1 ILE 46 HG23 0.08 0.01 -0.17 -0.04 0.93 0.80 2cuwA1 ILE 46 HD13 0.01 -0.02 -0.24 -0.04 0.88 0.59 2cuwA1 VAL 47 H 0.11 0.20 0.17 -0.55 8.24 8.18 2cuwA1 VAL 47 HA 0.08 0.40 1.10 -0.75 4.13 4.96 2cuwA1 VAL 47 HB 0.06 -0.03 0.14 -0.04 2.12 2.25 2cuwA1 VAL 47 HG13 -0.00 0.00 -0.13 -0.04 0.97 0.80 2cuwA1 VAL 47 HG23 0.03 -0.01 -0.11 -0.04 0.95 0.81 2cuwA1 PHE 48 H -0.18 0.63 0.38 -0.55 8.34 8.61 2cuwA1 PHE 48 HA 0.03 0.11 0.65 -0.75 4.62 4.66 2cuwA1 PHE 48 HB2 0.03 0.07 0.07 -0.04 3.15 3.28 2cuwA1 PHE 48 HB3 0.02 0.05 -0.24 -0.04 3.06 2.85 2cuwA1 PHE 48 HD2 0.03 0.12 -0.35 -0.04 7.28 7.04 2cuwA1 PHE 48 HE2 -0.02 -0.06 -0.09 -0.04 7.38 7.16 2cuwA1 PHE 48 HZ -0.05 0.02 -0.11 -0.04 7.32 7.13 2cuwA1 PRO 49 HA 0.03 0.33 0.81 -0.51 4.44 5.10 2cuwA1 PRO 49 HB2 0.06 0.03 0.01 -0.04 2.28 2.34 2cuwA1 PRO 49 HB3 0.03 -0.02 0.03 -0.04 2.02 2.03 2cuwA1 PRO 49 HG2 0.11 0.02 0.05 -0.04 2.03 2.17 2cuwA1 PRO 49 HG3 0.07 0.02 0.05 -0.04 2.03 2.13 2cuwA1 PRO 49 HD2 0.21 0.11 0.25 -0.04 3.68 4.20 2cuwA1 PRO 49 HD3 0.10 0.12 0.16 -0.04 3.65 4.00 2cuwA1 ALA 50 H 0.17 0.71 0.32 -0.55 8.40 9.05 2cuwA1 ALA 50 HA 0.12 0.06 0.48 -0.75 4.34 4.26 2cuwA1 ALA 50 HB3 0.02 -0.01 -0.15 -0.04 1.41 1.22 2cuwA1 GLU 51 H 0.06 0.10 0.12 -0.55 8.60 8.33 2cuwA1 GLU 51 HA 0.06 0.16 0.51 -0.75 4.29 4.27 2cuwA1 GLU 51 HB2 0.03 -0.09 0.16 -0.04 2.09 2.15 2cuwA1 GLU 51 HB3 0.03 0.01 -0.00 -0.04 1.99 1.99 2cuwA1 GLU 51 HG2 0.04 0.00 0.04 -0.04 2.34 2.38 2cuwA1 GLU 51 HG3 0.02 0.01 0.04 -0.04 2.34 2.37 2cuwA1 ASN 52 H 0.01 0.11 0.05 -0.55 8.53 8.14 2cuwA1 ASN 52 HA 0.15 0.26 0.48 -0.75 4.76 4.89 2cuwA1 ASN 52 HB2 0.03 -0.06 0.15 -0.04 2.88 2.97 2cuwA1 ASN 52 HB3 0.04 0.25 -0.06 -0.04 2.79 2.98 2cuwA1 ASN 52 HD21 0.01 0.04 -0.04 -0.04 7.03 7.00 2cuwA1 ASN 52 HD22 0.02 0.14 -0.13 -0.04 7.74 7.73 2cuwA1 LEU 53 H 0.06 0.25 0.12 -0.55 8.37 8.25 2cuwA1 LEU 53 HA -0.41 0.12 0.31 -0.75 4.35 3.61 2cuwA1 LEU 53 HB2 0.10 0.06 0.11 -0.04 1.64 1.87 2cuwA1 LEU 53 HB3 0.01 0.00 0.08 -0.04 1.64 1.69 2cuwA1 LEU 53 HG -0.02 -0.00 -0.11 -0.04 1.64 1.46 2cuwA1 LEU 53 HD13 0.02 0.01 -0.05 -0.04 0.93 0.87 2cuwA1 LEU 53 HD23 0.04 0.02 -0.00 -0.04 0.89 0.91 2cuwA1 LEU 54 H -0.03 0.08 -0.23 -0.55 8.37 7.64 2cuwA1 LEU 54 HA -0.03 0.15 0.49 -0.75 4.35 4.20 2cuwA1 LEU 54 HB2 -0.01 -0.05 0.05 -0.04 1.64 1.59 2cuwA1 LEU 54 HB3 -0.01 0.07 -0.02 -0.04 1.64 1.64 2cuwA1 LEU 54 HG -0.01 0.04 0.00 -0.04 1.64 1.64 2cuwA1 LEU 54 HD13 0.00 -0.02 0.02 -0.04 0.93 0.88 2cuwA1 LEU 54 HD23 -0.00 0.02 -0.00 -0.04 0.89 0.87 2cuwA1 GLU 55 H -0.05 0.07 -0.16 -0.55 8.60 7.92 2cuwA1 GLU 55 HA -0.02 0.11 0.46 -0.75 4.29 4.09 2cuwA1 GLU 55 HB2 -0.00 0.03 0.10 -0.04 2.09 2.18 2cuwA1 GLU 55 HB3 -0.02 -0.12 0.16 -0.04 1.99 1.97 2cuwA1 GLU 55 HG2 0.03 0.07 -0.18 -0.04 2.34 2.22 2cuwA1 GLU 55 HG3 0.01 0.05 0.08 -0.04 2.34 2.44 2cuwA1 ALA 56 H -0.21 0.37 -0.31 -0.55 8.40 7.71 2cuwA1 ALA 56 HA 0.15 0.09 0.35 -0.75 4.34 4.19 2cuwA1 ALA 56 HB3 -0.72 0.04 -0.06 -0.04 1.41 0.63 2cuwA1 GLU 57 H -0.07 0.45 -0.14 -0.55 8.60 8.29 2cuwA1 GLU 57 HA 0.04 0.03 0.33 -0.75 4.29 3.93 2cuwA1 GLU 57 HB2 -0.01 0.04 0.13 -0.04 2.09 2.21 2cuwA1 GLU 57 HB3 -0.01 0.07 0.12 -0.04 1.99 2.13 2cuwA1 GLU 57 HG2 0.03 -0.01 -0.14 -0.04 2.34 2.18 2cuwA1 GLU 57 HG3 0.03 -0.01 0.02 -0.04 2.34 2.35 2cuwA1 GLU 58 H -0.01 0.39 -0.25 -0.55 8.60 8.19 2cuwA1 GLU 58 HA -0.00 0.01 0.36 -0.75 4.29 3.91 2cuwA1 GLU 58 HB2 -0.01 0.07 0.20 -0.04 2.09 2.30 2cuwA1 GLU 58 HB3 -0.01 -0.01 -0.01 -0.04 1.99 1.92 2cuwA1 GLU 58 HG2 -0.00 -0.01 0.03 -0.04 2.34 2.31 2cuwA1 GLU 58 HG3 -0.00 0.03 0.06 -0.04 2.34 2.38 2cuwA1 LYS 59 H -0.01 0.57 -0.10 -0.55 8.42 8.33 2cuwA1 LYS 59 HA -0.10 -0.02 0.39 -0.75 4.32 3.83 2cuwA1 LYS 59 HB2 -0.01 0.08 0.15 -0.04 1.87 2.05 2cuwA1 LYS 59 HB3 -0.29 -0.01 -0.01 -0.04 1.79 1.43 2cuwA1 LYS 59 HG2 -0.04 -0.05 0.04 -0.04 1.46 1.38 2cuwA1 LYS 59 HG3 0.00 0.04 0.11 -0.04 1.46 1.58 2cuwA1 LYS 59 HD2 0.18 -0.06 -0.08 -0.04 1.69 1.68 2cuwA1 LYS 59 HD3 0.14 0.07 0.01 -0.04 1.68 1.86 2cuwA1 LYS 59 HE2 0.04 -0.06 0.02 -0.04 2.99 2.94 2cuwA1 LYS 59 HE3 0.09 -0.09 0.04 -0.04 2.99 2.99 2cuwA1 ALA 60 H -0.03 0.70 -0.15 -0.55 8.40 8.37 2cuwA1 ALA 60 HA -0.26 -0.01 0.35 -0.75 4.34 3.66 2cuwA1 ALA 60 HB3 0.09 -0.02 0.07 -0.04 1.41 1.50 2cuwA1 LYS 61 H -0.04 0.68 -0.10 -0.55 8.42 8.41 2cuwA1 LYS 61 HA -0.15 -0.05 0.38 -0.75 4.32 3.74 2cuwA1 LYS 61 HB2 0.01 0.15 0.16 -0.04 1.87 2.14 2cuwA1 LYS 61 HB3 0.09 -0.07 -0.03 -0.04 1.79 1.74 2cuwA1 LYS 61 HG2 0.22 -0.08 0.01 -0.04 1.46 1.57 2cuwA1 LYS 61 HG3 0.07 0.08 0.04 -0.04 1.46 1.61 2cuwA1 LYS 61 HD2 0.04 -0.03 -0.10 -0.04 1.69 1.56 2cuwA1 LYS 61 HD3 0.09 -0.01 -0.03 -0.04 1.68 1.69 2cuwA1 LYS 61 HE2 0.06 -0.02 -0.03 -0.04 2.99 2.96 2cuwA1 LYS 61 HE3 0.04 -0.04 -0.03 -0.04 2.99 2.92 2cuwA1 ALA 62 H -0.11 0.46 -0.23 -0.55 8.40 7.96 2cuwA1 ALA 62 HA -0.10 -0.04 0.24 -0.75 4.34 3.69 2cuwA1 ALA 62 HB3 -0.09 0.03 0.13 -0.04 1.41 1.43 2cuwA1 GLY 64 HA2 -0.30 -0.11 0.28 -0.51 4.01 3.37 2cuwA1 GLY 64 HA3 -1.00 -0.03 0.18 -0.51 4.01 2.66 2cuwA1 ALA 65 H -0.53 0.73 -0.73 -0.55 8.40 7.33 2cuwA1 ALA 65 HA 0.07 -0.02 0.42 -0.75 4.34 4.06 2cuwA1 ALA 65 HB3 -0.00 0.01 0.08 -0.04 1.41 1.45 2cuwA1 LEU 66 H -0.15 0.37 0.25 -0.55 8.37 8.29 2cuwA1 LEU 66 HA -0.04 0.07 0.52 -0.75 4.35 4.14 2cuwA1 LEU 66 HB2 -0.09 0.20 0.11 -0.04 1.64 1.82 2cuwA1 LEU 66 HB3 -0.08 -0.03 -0.08 -0.04 1.64 1.40 2cuwA1 LEU 66 HG -0.04 -0.03 0.03 -0.04 1.64 1.56 2cuwA1 LEU 66 HD13 -0.06 -0.02 -0.04 -0.04 0.93 0.77 2cuwA1 LEU 66 HD23 -0.03 -0.01 -0.02 -0.04 0.89 0.79 2cuwA1 LEU 67 H -0.10 0.13 -0.25 -0.55 8.37 7.61 2cuwA1 LEU 67 HA -0.03 0.08 0.51 -0.75 4.35 4.16 2cuwA1 LEU 67 HB2 -0.06 0.09 0.02 -0.04 1.64 1.65 2cuwA1 LEU 67 HB3 -0.02 -0.07 -0.01 -0.04 1.64 1.51 2cuwA1 LEU 67 HG -0.07 -0.04 -0.12 -0.04 1.64 1.37 2cuwA1 LEU 67 HD13 -0.07 0.01 -0.05 -0.04 0.93 0.78 2cuwA1 LEU 67 HD23 -0.03 -0.01 -0.05 -0.04 0.89 0.75 2cuwA1 ALA 68 H 0.00 0.36 -0.28 -0.55 8.40 7.94 2cuwA1 ALA 68 HA 0.04 0.00 0.58 -0.75 4.34 4.21 2cuwA1 ALA 68 HB3 0.14 0.01 -0.22 -0.04 1.41 1.30 2cuwA1 ASN 69 H 0.02 0.08 0.10 -0.55 8.53 8.19 2cuwA1 ASN 69 HA 0.01 0.09 0.51 -0.75 4.76 4.62 2cuwA1 ASN 69 HB2 0.01 -0.00 0.11 -0.04 2.88 2.96 2cuwA1 ASN 69 HB3 0.01 0.04 0.20 -0.04 2.79 3.01 2cuwA1 ASN 69 HD21 0.00 -0.06 0.02 -0.04 7.03 6.95 2cuwA1 ASN 69 HD22 0.00 0.05 0.04 -0.04 7.74 7.79 2cuwA1 PRO 70 HA 0.02 0.11 0.35 -0.51 4.44 4.41 2cuwA1 PRO 70 HB2 0.01 -0.10 0.07 -0.04 2.28 2.22 2cuwA1 PRO 70 HB3 0.01 -0.01 0.08 -0.04 2.02 2.06 2cuwA1 PRO 70 HG2 0.01 -0.05 0.11 -0.04 2.03 2.06 2cuwA1 PRO 70 HG3 0.02 0.13 0.14 -0.04 2.03 2.28 2cuwA1 PRO 70 HD2 0.01 -0.05 0.22 -0.04 3.68 3.82 2cuwA1 PRO 70 HD3 0.01 0.40 0.39 -0.04 3.65 4.41 2cuwA1 VAL 71 H 0.01 0.00 -0.26 -0.55 8.24 7.44 2cuwA1 VAL 71 HA 0.00 0.14 0.50 -0.75 4.13 4.02 2cuwA1 VAL 71 HB 0.00 -0.01 0.08 -0.04 2.12 2.15 2cuwA1 VAL 71 HG13 0.00 -0.01 0.06 -0.04 0.97 0.98 2cuwA1 VAL 71 HG23 0.00 -0.01 -0.01 -0.04 0.95 0.89 2cuwA1 GLU 73 HA 0.01 -0.16 0.44 -0.75 4.29 3.82 2cuwA1 GLU 73 HB2 0.03 -0.14 -0.05 -0.04 2.09 1.89 2cuwA1 GLU 73 HB3 0.03 0.10 0.05 -0.04 1.99 2.12 2cuwA1 GLU 73 HG2 0.01 -0.05 -0.10 -0.04 2.34 2.16 2cuwA1 GLU 73 HG3 0.01 -0.02 0.09 -0.04 2.34 2.38 2cuwA1 VAL 74 H 0.01 0.58 0.29 -0.55 8.24 8.58 2cuwA1 VAL 74 HA -0.01 0.17 0.71 -0.75 4.13 4.24 2cuwA1 VAL 74 HB -0.11 0.03 0.07 -0.04 2.12 2.08 2cuwA1 VAL 74 HG13 -0.03 -0.01 -0.15 -0.04 0.97 0.74 2cuwA1 VAL 74 HG23 -0.03 -0.02 -0.18 -0.04 0.95 0.69 2cuwA1 TYR 75 H -0.18 0.15 0.14 -0.55 8.29 7.85 2cuwA1 TYR 75 HA -0.00 0.39 1.20 -0.75 4.56 5.40 2cuwA1 TYR 75 HB2 -0.01 -0.04 0.07 -0.04 3.06 3.04 2cuwA1 TYR 75 HB3 -0.01 0.08 -0.08 -0.04 2.98 2.93 2cuwA1 TYR 75 HD2 -0.01 -0.02 -0.30 -0.04 7.15 6.79 2cuwA1 TYR 75 HE2 -0.01 -0.05 -0.07 -0.04 6.85 6.68 2cuwA1 ALA 76 H 0.22 0.34 0.28 -0.55 8.40 8.70 2cuwA1 ALA 76 HA -0.04 0.09 0.62 -0.75 4.34 4.25 2cuwA1 ALA 76 HB3 -0.00 0.02 -0.07 -0.04 1.41 1.32 2cuwA1 LEU 77 H 0.13 0.20 0.06 -0.55 8.37 8.20 2cuwA1 LEU 77 HA 0.10 0.14 0.67 -0.75 4.35 4.51 2cuwA1 LEU 77 HB2 0.15 0.04 0.05 -0.04 1.64 1.84 2cuwA1 LEU 77 HB3 0.09 -0.01 0.18 -0.04 1.64 1.86 2cuwA1 LEU 77 HG 0.07 -0.04 -0.21 -0.04 1.64 1.42 2cuwA1 LEU 77 HD13 0.08 0.03 -0.06 -0.04 0.93 0.94 2cuwA1 LEU 77 HD23 0.06 -0.00 -0.02 -0.04 0.89 0.88 2cuwA1 GLU 78 H 0.06 0.55 0.35 -0.55 8.60 9.02 2cuwA1 GLU 78 HA 0.03 0.02 0.42 -0.75 4.29 4.00 2cuwA1 GLU 78 HB2 0.03 -0.02 0.07 -0.04 2.09 2.14 2cuwA1 GLU 78 HB3 0.04 0.03 0.08 -0.04 1.99 2.10 2cuwA1 GLU 78 HG2 0.02 -0.03 -0.05 -0.04 2.34 2.24 2cuwA1 GLU 78 HG3 0.02 -0.01 -0.07 -0.04 2.34 2.24 2cuwA1 ALA 79 H 0.05 0.32 0.11 -0.55 8.40 8.34 2cuwA1 ALA 79 HA 0.04 0.14 0.57 -0.75 4.34 4.33 2cuwA1 ALA 79 HB3 0.03 0.02 -0.07 -0.04 1.41 1.34 2cuwA1 LEU 80 H 0.04 0.28 0.12 -0.55 8.37 8.27 2cuwA1 LEU 80 HA 0.08 0.34 0.87 -0.75 4.35 4.89 2cuwA1 LEU 80 HB2 0.06 0.04 -0.16 -0.04 1.64 1.54 2cuwA1 LEU 80 HB3 0.04 -0.03 0.06 -0.04 1.64 1.67 2cuwA1 LEU 80 HG 0.04 -0.03 -0.27 -0.04 1.64 1.34 2cuwA1 LEU 80 HD13 0.09 0.04 -0.17 -0.04 0.93 0.85 2cuwA1 LEU 80 HD23 -0.02 -0.02 -0.09 -0.04 0.89 0.71 2cuwA1 LYS 81 H 0.07 0.49 0.28 -0.55 8.42 8.71 2cuwA1 LYS 81 HA 0.08 0.10 0.79 -0.75 4.32 4.53 2cuwA1 LYS 81 HB2 0.02 0.05 0.10 -0.04 1.87 2.00 2cuwA1 LYS 81 HB3 0.03 0.01 -0.16 -0.04 1.79 1.64 2cuwA1 LYS 81 HG2 0.03 -0.02 -0.06 -0.04 1.46 1.37 2cuwA1 LYS 81 HG3 0.00 0.02 -0.21 -0.04 1.46 1.23 2cuwA1 LYS 81 HD2 0.00 0.05 -0.05 -0.04 1.69 1.65 2cuwA1 LYS 81 HD3 0.01 -0.03 -0.08 -0.04 1.68 1.55 2cuwA1 LYS 81 HE2 0.01 -0.02 -0.09 -0.04 2.99 2.84 2cuwA1 LYS 81 HE3 -0.00 0.01 -0.10 -0.04 2.99 2.85 2cuwA1 GLU 82 H 0.03 0.09 0.16 -0.55 8.60 8.35 2cuwA1 GLU 82 HA -0.44 0.15 0.64 -0.75 4.29 3.89 2cuwA1 GLU 82 HB2 -0.08 -0.10 0.10 -0.04 2.09 1.97 2cuwA1 GLU 82 HB3 -0.10 -0.03 0.07 -0.04 1.99 1.89 2cuwA1 GLU 82 HG2 -0.28 0.25 0.00 -0.04 2.34 2.27 2cuwA1 GLU 82 HG3 -0.75 0.01 0.02 -0.04 2.34 1.57 2cuwA1 LEU 83 H -0.29 0.90 0.40 -0.55 8.37 8.83 2cuwA1 LEU 83 HA -0.08 0.13 0.76 -0.75 4.35 4.41 2cuwA1 LEU 83 HB2 -0.13 -0.03 -0.04 -0.04 1.64 1.40 2cuwA1 LEU 83 HB3 -0.07 0.04 -0.01 -0.04 1.64 1.55 2cuwA1 LEU 83 HG -0.09 -0.03 -0.30 -0.04 1.64 1.18 2cuwA1 LEU 83 HD13 -0.05 -0.02 -0.20 -0.04 0.93 0.62 2cuwA1 LEU 83 HD23 -0.03 0.01 -0.12 -0.04 0.89 0.70 2cuwA1 PRO 84 HA -0.06 0.10 0.20 -0.51 4.44 4.17 2cuwA1 PRO 84 HB2 -0.04 0.02 0.06 -0.04 2.28 2.28 2cuwA1 PRO 84 HB3 -0.04 0.03 0.06 -0.04 2.02 2.04 2cuwA1 PRO 84 HG2 -0.03 0.04 0.05 -0.04 2.03 2.04 2cuwA1 PRO 84 HG3 -0.04 0.05 0.03 -0.04 2.03 2.04 2cuwA1 PRO 84 HD2 -0.04 0.09 0.10 -0.04 3.68 3.79 2cuwA1 PRO 84 HD3 -0.05 0.16 0.18 -0.04 3.65 3.90