============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 8 rings ring int. center anis. iso. TYR 2 0.840 21.859 -2.139 -1.731 -99.200 -91.000 TYR 4 0.840 25.662 3.865 -8.924 -99.200 -91.000 TYR 5 0.840 21.744 -0.596 -7.127 -99.200 -91.000 PHE 13 1.000 23.952 14.914 2.069 -99.200 -91.000 PHE 23 1.000 43.743 3.691 8.541 -99.200 -91.000 TYR 25 0.840 33.373 -2.267 6.651 -99.200 -91.000 PHE 26 1.000 42.935 -2.578 4.042 -99.200 -91.000 PHE 35 1.000 31.973 -6.701 1.459 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1bzkA4 ARG 2 H 0.10 0.01 0.08 -0.55 8.46 8.10 1bzkA4 ARG 2 HA 0.08 -0.01 0.22 -0.75 4.34 3.88 1bzkA4 ARG 2 HB2 0.06 0.03 0.09 -0.04 1.90 2.04 1bzkA4 ARG 2 HB3 0.14 -0.09 0.05 -0.04 1.80 1.86 1bzkA4 ARG 2 HG2 0.15 0.02 -0.01 -0.04 1.67 1.79 1bzkA4 ARG 2 HG3 0.07 -0.00 -0.02 -0.04 1.67 1.67 1bzkA4 ARG 2 HD2 0.05 -0.00 0.02 -0.04 3.22 3.25 1bzkA4 ARG 2 HD3 0.05 -0.01 0.05 -0.04 3.22 3.27 1bzkA4 TYR 3 H 0.20 0.09 0.01 -0.55 8.29 8.04 1bzkA4 TYR 3 HA 0.22 0.02 0.42 -0.75 4.56 4.46 1bzkA4 TYR 3 HB2 0.09 0.04 -0.46 -0.04 3.06 2.68 1bzkA4 TYR 3 HB3 0.10 -0.02 0.20 -0.04 2.98 3.21 1bzkA4 TYR 3 HD2 0.06 0.10 0.15 -0.04 7.15 7.42 1bzkA4 TYR 3 HE2 -0.18 0.01 -0.00 -0.04 6.85 6.64 1bzkA4 PRO 4 HA 0.03 0.21 0.62 -0.51 4.44 4.79 1bzkA4 PRO 4 HB2 0.02 0.16 -0.00 -0.04 2.28 2.42 1bzkA4 PRO 4 HB3 -0.00 0.07 0.06 -0.04 2.02 2.10 1bzkA4 PRO 4 HG2 0.06 0.11 0.14 -0.04 2.03 2.29 1bzkA4 PRO 4 HG3 0.05 0.08 0.10 -0.04 2.03 2.22 1bzkA4 PRO 4 HD2 0.20 0.03 0.17 -0.04 3.68 4.04 1bzkA4 PRO 4 HD3 0.20 0.06 0.13 -0.04 3.65 4.00 1bzkA4 TYR 5 H 0.07 0.19 0.12 -0.55 8.29 8.12 1bzkA4 TYR 5 HA -0.14 0.20 0.41 -0.75 4.56 4.27 1bzkA4 TYR 5 HB2 -0.16 0.08 0.06 -0.04 3.06 2.99 1bzkA4 TYR 5 HB3 -0.35 -0.02 0.06 -0.04 2.98 2.62 1bzkA4 TYR 5 HD2 -0.46 0.00 -0.14 -0.04 7.15 6.52 1bzkA4 TYR 5 HE2 -0.17 0.01 -0.03 -0.04 6.85 6.62 1bzkA4 TYR 6 H -0.09 -0.01 -0.27 -0.55 8.29 7.38 1bzkA4 TYR 6 HA -0.29 0.14 0.45 -0.75 4.56 4.11 1bzkA4 TYR 6 HB2 -0.89 -0.08 0.04 -0.04 3.06 2.08 1bzkA4 TYR 6 HB3 -0.80 0.07 -0.04 -0.04 2.98 2.16 1bzkA4 TYR 6 HD2 0.01 -0.02 -0.00 -0.04 7.15 7.09 1bzkA4 TYR 6 HE2 0.09 0.02 -0.02 -0.04 6.85 6.90 1bzkA4 LEU 7 H -0.29 0.06 -0.40 -0.55 8.37 7.20 1bzkA4 LEU 7 HA -0.16 0.12 0.60 -0.75 4.35 4.15 1bzkA4 LEU 7 HB2 -0.08 0.06 0.10 -0.04 1.64 1.68 1bzkA4 LEU 7 HB3 -0.01 0.08 -0.00 -0.04 1.64 1.66 1bzkA4 LEU 7 HG 0.01 -0.05 0.06 -0.04 1.64 1.62 1bzkA4 LEU 7 HD13 0.13 -0.01 -0.02 -0.04 0.93 0.99 1bzkA4 LEU 7 HD23 0.14 0.01 -0.00 -0.04 0.89 0.99 1bzkA4 SER 8 H -0.13 0.34 -0.20 -0.55 8.46 7.92 1bzkA4 SER 8 HA -0.09 0.03 0.47 -0.75 4.49 4.15 1bzkA4 SER 8 HB2 -0.04 -0.03 0.13 -0.04 3.95 3.96 1bzkA4 SER 8 HB3 -0.09 0.14 0.13 -0.04 3.93 4.08 1bzkA4 ASP 9 H -0.25 0.14 -1.18 -0.55 8.40 6.56 1bzkA4 ASP 9 HA -0.39 0.17 0.66 -0.75 4.63 4.32 1bzkA4 ASP 9 HB2 -0.43 0.16 0.07 -0.04 2.71 2.47 1bzkA4 ASP 9 HB3 -0.32 -0.08 0.04 -0.04 2.70 2.31 1bzkA4 ILE 10 H -0.18 0.21 0.09 -0.55 8.25 7.81 1bzkA4 ILE 10 HA -0.21 0.19 0.66 -0.75 4.18 4.06 1bzkA4 ILE 10 HB -0.10 0.03 0.05 -0.04 1.89 1.83 1bzkA4 ILE 10 HG12 -0.14 -0.04 0.05 -0.04 1.49 1.32 1bzkA4 ILE 10 HG13 -0.08 0.03 0.03 -0.04 1.21 1.16 1bzkA4 ILE 10 HG23 -0.20 0.00 0.05 -0.04 0.93 0.74 1bzkA4 ILE 10 HD13 -0.12 0.03 -0.05 -0.04 0.88 0.69 1bzkA4 THR 11 H -0.12 0.20 -0.04 -0.55 8.28 7.77 1bzkA4 THR 11 HA -0.03 0.05 0.40 -0.75 4.39 4.05 1bzkA4 THR 11 HB -0.04 0.05 0.16 -0.04 4.32 4.45 1bzkA4 THR 11 HG23 -0.06 -0.05 -0.10 -0.04 1.22 0.96 1bzkA4 ASP 12 H -0.11 0.13 -0.64 -0.55 8.40 7.23 1bzkA4 ASP 12 HA -0.04 0.22 0.33 -0.75 4.63 4.39 1bzkA4 ASP 12 HB2 -0.07 0.01 0.00 -0.04 2.71 2.61 1bzkA4 ASP 12 HB3 -0.09 0.11 -0.11 -0.04 2.70 2.58 1bzkA4 ALA 13 H -0.18 0.26 -0.91 -0.55 8.40 7.02 1bzkA4 ALA 13 HA -0.13 0.11 0.56 -0.75 4.34 4.13 1bzkA4 ALA 13 HB3 -0.50 -0.01 0.10 -0.04 1.41 0.96 1bzkA4 PHE 14 H -0.30 0.29 0.03 -0.55 8.34 7.80 1bzkA4 PHE 14 HA -0.01 0.09 0.52 -0.75 4.62 4.47 1bzkA4 PHE 14 HB2 -0.01 0.03 0.07 -0.04 3.15 3.20 1bzkA4 PHE 14 HB3 -0.01 -0.02 0.16 -0.04 3.06 3.15 1bzkA4 PHE 14 HD2 -0.01 0.03 -0.04 -0.04 7.28 7.22 1bzkA4 PHE 14 HE2 -0.01 -0.00 -0.02 -0.04 7.38 7.31 1bzkA4 PHE 14 HZ -0.01 -0.01 -0.01 -0.04 7.32 7.26 1bzkA4 SER 15 H 0.03 0.12 -1.07 -0.55 8.46 7.00 1bzkA4 SER 15 HA 0.05 0.03 0.63 -0.75 4.49 4.45 1bzkA4 SER 15 HB2 0.06 -0.00 -0.26 -0.04 3.95 3.70 1bzkA4 SER 15 HB3 0.02 0.13 0.11 -0.04 3.93 4.15 1bzkA4 PRO 16 HA 0.01 0.24 0.63 -0.51 4.44 4.80 1bzkA4 PRO 16 HB2 0.01 -0.01 0.08 -0.04 2.28 2.32 1bzkA4 PRO 16 HB3 0.00 0.22 0.12 -0.04 2.02 2.32 1bzkA4 PRO 16 HG2 0.03 -0.08 0.14 -0.04 2.03 2.08 1bzkA4 PRO 16 HG3 0.03 0.25 0.07 -0.04 2.03 2.34 1bzkA4 PRO 16 HD2 0.04 -0.09 0.10 -0.04 3.68 3.68 1bzkA4 PRO 16 HD3 0.06 0.27 -0.36 -0.04 3.65 3.59 1bzkA4 GLN 17 H 0.02 0.24 0.13 -0.55 8.47 8.31 1bzkA4 GLN 17 HA 0.02 0.10 0.43 -0.75 4.36 4.15 1bzkA4 GLN 17 HB2 0.02 0.06 0.14 -0.04 2.15 2.33 1bzkA4 GLN 17 HB3 0.02 -0.02 0.15 -0.04 2.02 2.12 1bzkA4 GLN 17 HG2 0.01 0.01 -0.16 -0.04 2.40 2.22 1bzkA4 GLN 17 HG3 0.01 -0.03 0.03 -0.04 2.39 2.36 1bzkA4 GLN 17 HE21 0.01 -0.01 0.03 -0.04 6.97 6.96 1bzkA4 GLN 17 HE22 0.01 0.03 0.01 -0.04 7.69 7.70 1bzkA4 VAL 18 H 0.02 0.14 -0.19 -0.55 8.24 7.66 1bzkA4 VAL 18 HA 0.02 0.02 0.33 -0.75 4.13 3.75 1bzkA4 VAL 18 HB 0.02 0.04 -0.08 -0.04 2.12 2.06 1bzkA4 VAL 18 HG13 0.02 -0.01 -0.01 -0.04 0.97 0.93 1bzkA4 VAL 18 HG23 0.02 0.02 0.02 -0.04 0.95 0.96 1bzkA4 LEU 19 H 0.02 0.07 -1.13 -0.55 8.37 6.79 1bzkA4 LEU 19 HA 0.01 0.01 0.32 -0.75 4.35 3.93 1bzkA4 LEU 19 HB2 0.01 0.41 0.26 -0.04 1.64 2.27 1bzkA4 LEU 19 HB3 0.02 0.13 0.21 -0.04 1.64 1.97 1bzkA4 LEU 19 HG 0.02 -0.08 -0.16 -0.04 1.64 1.38 1bzkA4 LEU 19 HD13 -0.01 -0.00 -0.01 -0.04 0.93 0.87 1bzkA4 LEU 19 HD23 0.01 -0.01 0.00 -0.04 0.89 0.85 1bzkA4 ALA 20 H 0.04 0.39 -0.08 -0.55 8.40 8.21 1bzkA4 ALA 20 HA 0.09 0.03 0.36 -0.75 4.34 4.06 1bzkA4 ALA 20 HB3 0.07 0.04 0.10 -0.04 1.41 1.58 1bzkA4 ALA 21 H 0.06 0.39 -0.12 -0.55 8.40 8.18 1bzkA4 ALA 21 HA 0.09 -0.00 0.36 -0.75 4.34 4.04 1bzkA4 ALA 21 HB3 0.03 0.03 0.09 -0.04 1.41 1.51 1bzkA4 VAL 22 H 0.06 0.66 -0.16 -0.55 8.24 8.26 1bzkA4 VAL 22 HA 0.08 -0.04 0.40 -0.75 4.13 3.81 1bzkA4 VAL 22 HB 0.01 0.22 0.16 -0.04 2.12 2.46 1bzkA4 VAL 22 HG13 -0.10 -0.02 -0.14 -0.04 0.97 0.66 1bzkA4 VAL 22 HG23 0.01 -0.03 0.03 -0.04 0.95 0.91 1bzkA4 ILE 23 H 0.10 0.60 -0.24 -0.55 8.25 8.17 1bzkA4 ILE 23 HA 0.24 -0.02 0.45 -0.75 4.18 4.10 1bzkA4 ILE 23 HB 0.14 0.12 0.13 -0.04 1.89 2.23 1bzkA4 ILE 23 HG12 0.06 0.34 0.08 -0.04 1.49 1.93 1bzkA4 ILE 23 HG13 0.08 -0.06 -0.05 -0.04 1.21 1.14 1bzkA4 ILE 23 HG23 0.21 -0.03 -0.03 -0.04 0.93 1.03 1bzkA4 ILE 23 HD13 0.07 -0.03 -0.06 -0.04 0.88 0.82 1bzkA4 PHE 24 H 0.27 0.56 -0.29 -0.55 8.34 8.34 1bzkA4 PHE 24 HA 0.10 0.03 0.46 -0.75 4.62 4.46 1bzkA4 PHE 24 HB2 0.04 0.07 0.17 -0.04 3.15 3.39 1bzkA4 PHE 24 HB3 0.05 -0.00 0.16 -0.04 3.06 3.23 1bzkA4 PHE 24 HD2 0.02 -0.01 -0.11 -0.04 7.28 7.14 1bzkA4 PHE 24 HE2 -0.03 -0.01 -0.01 -0.04 7.38 7.29 1bzkA4 PHE 24 HZ -0.04 -0.00 -0.01 -0.04 7.32 7.23 1bzkA4 ILE 25 H 0.29 0.45 -0.01 -0.55 8.25 8.44 1bzkA4 ILE 25 HA 0.22 0.04 0.55 -0.75 4.18 4.24 1bzkA4 ILE 25 HB 0.17 0.11 0.11 -0.04 1.89 2.25 1bzkA4 ILE 25 HG12 0.11 -0.01 0.04 -0.04 1.49 1.59 1bzkA4 ILE 25 HG13 0.21 -0.06 0.02 -0.04 1.21 1.34 1bzkA4 ILE 25 HG23 0.11 -0.01 0.02 -0.04 0.93 1.01 1bzkA4 ILE 25 HD13 0.09 0.02 0.02 -0.04 0.88 0.96 1bzkA4 TYR 26 H 0.30 0.39 -0.35 -0.55 8.29 8.08 1bzkA4 TYR 26 HA 0.04 -0.00 0.43 -0.75 4.56 4.28 1bzkA4 TYR 26 HB2 0.08 0.34 0.18 -0.04 3.06 3.62 1bzkA4 TYR 26 HB3 0.08 0.03 0.01 -0.04 2.98 3.06 1bzkA4 TYR 26 HD2 0.06 0.01 -0.03 -0.04 7.15 7.14 1bzkA4 TYR 26 HE2 0.02 -0.01 -0.03 -0.04 6.85 6.79 1bzkA4 PHE 27 H 0.26 0.28 -0.74 -0.55 8.34 7.59 1bzkA4 PHE 27 HA -0.02 0.03 0.52 -0.75 4.62 4.40 1bzkA4 PHE 27 HB2 -0.08 0.20 0.17 -0.04 3.15 3.40 1bzkA4 PHE 27 HB3 -0.19 0.08 0.17 -0.04 3.06 3.08 1bzkA4 PHE 27 HD2 -0.07 0.01 -0.20 -0.04 7.28 6.98 1bzkA4 PHE 27 HE2 -0.05 -0.02 -0.04 -0.04 7.38 7.24 1bzkA4 PHE 27 HZ -0.04 -0.01 -0.02 -0.04 7.32 7.21 1bzkA4 ALA 28 H 0.19 0.42 -0.01 -0.55 8.40 8.45 1bzkA4 ALA 28 HA 0.14 0.01 0.36 -0.75 4.34 4.10 1bzkA4 ALA 28 HB3 0.11 0.01 0.16 -0.04 1.41 1.65 1bzkA4 ALA 29 H 0.00 0.45 -0.24 -0.55 8.40 8.07 1bzkA4 ALA 29 HA -0.05 0.05 0.50 -0.75 4.34 4.08 1bzkA4 ALA 29 HB3 -0.13 0.01 0.05 -0.04 1.41 1.30 1bzkA4 LEU 30 H -0.20 0.32 -0.37 -0.55 8.37 7.58 1bzkA4 LEU 30 HA -0.25 -0.11 0.37 -0.75 4.35 3.61 1bzkA4 LEU 30 HB2 -0.33 0.12 0.34 -0.04 1.64 1.73 1bzkA4 LEU 30 HB3 -0.32 -0.14 0.02 -0.04 1.64 1.16 1bzkA4 LEU 30 HG -0.20 0.00 0.00 -0.04 1.64 1.40 1bzkA4 LEU 30 HD13 -0.02 -0.06 -0.12 -0.04 0.93 0.70 1bzkA4 LEU 30 HD23 -0.74 -0.05 0.03 -0.04 0.89 0.09 1bzkA4 SER 31 H -0.13 0.25 -1.12 -0.55 8.46 6.91 1bzkA4 SER 31 HA -0.14 -0.02 0.33 -0.75 4.49 3.91 1bzkA4 SER 31 HB2 -0.01 -0.05 0.12 -0.04 3.95 3.97 1bzkA4 SER 31 HB3 -0.04 0.17 0.15 -0.04 3.93 4.16 1bzkA4 PRO 32 HA -0.05 0.10 0.60 -0.51 4.44 4.59 1bzkA4 PRO 32 HB2 -0.05 -0.01 -0.01 -0.04 2.28 2.16 1bzkA4 PRO 32 HB3 -0.04 0.01 0.07 -0.04 2.02 2.02 1bzkA4 PRO 32 HG2 -0.08 0.01 0.04 -0.04 2.03 1.95 1bzkA4 PRO 32 HG3 -0.05 0.01 0.07 -0.04 2.03 2.01 1bzkA4 PRO 32 HD2 -0.12 0.01 -0.03 -0.04 3.68 3.49 1bzkA4 PRO 32 HD3 -0.08 0.13 0.11 -0.04 3.65 3.78 1bzkA4 ALA 33 H -0.12 0.27 -0.15 -0.55 8.40 7.86 1bzkA4 ALA 33 HA -0.01 0.03 0.57 -0.75 4.34 4.17 1bzkA4 ALA 33 HB3 -0.14 0.00 0.12 -0.04 1.41 1.35 1bzkA4 ILE 34 H -0.10 0.41 -0.51 -0.55 8.25 7.49 1bzkA4 ILE 34 HA -0.10 0.01 0.29 -0.75 4.18 3.63 1bzkA4 ILE 34 HB -0.06 -0.04 0.03 -0.04 1.89 1.77 1bzkA4 ILE 34 HG12 -0.06 0.23 0.05 -0.04 1.49 1.67 1bzkA4 ILE 34 HG13 -0.03 -0.19 -0.15 -0.04 1.21 0.80 1bzkA4 ILE 34 HG23 -0.21 0.11 0.03 -0.04 0.93 0.82 1bzkA4 ILE 34 HD13 -0.02 -0.02 -0.10 -0.04 0.88 0.70 1bzkA4 THR 35 H 0.01 0.11 -0.76 -0.55 8.28 7.09 1bzkA4 THR 35 HA -0.00 0.13 0.51 -0.75 4.39 4.28 1bzkA4 THR 35 HB 0.00 0.01 0.02 -0.04 4.32 4.31 1bzkA4 THR 35 HG23 0.04 0.02 -0.00 -0.04 1.22 1.23 1bzkA4 PHE 36 H 0.16 0.21 0.02 -0.55 8.34 8.17 1bzkA4 PHE 36 HA -0.00 -0.02 0.36 -0.75 4.62 4.20 1bzkA4 PHE 36 HB2 -0.01 -0.05 0.14 -0.04 3.15 3.18 1bzkA4 PHE 36 HB3 -0.04 0.15 0.23 -0.04 3.06 3.36 1bzkA4 PHE 36 HD2 0.00 0.04 -0.06 -0.04 7.28 7.23 1bzkA4 PHE 36 HE2 0.12 -0.01 -0.06 -0.04 7.38 7.38 1bzkA4 PHE 36 HZ 0.13 -0.01 -0.06 -0.04 7.32 7.34 1bzkA4 GLY 37 H 0.03 0.33 -0.73 -0.55 8.43 7.51 1bzkA4 GLY 37 HA2 -0.48 0.02 0.81 -0.51 4.01 3.85 1bzkA4 GLY 37 HA3 -0.13 0.00 0.28 -0.51 4.01 3.66 1bzkA4 GLY 38 H -0.17 0.19 0.01 -0.55 8.43 7.92 1bzkA4 GLY 38 HA2 -0.04 0.17 0.90 -0.51 4.01 4.52 1bzkA4 GLY 38 HA3 -0.05 0.10 0.31 -0.51 4.01 3.86 1bzkA4 LEU 39 H -0.11 0.03 0.10 -0.55 8.37 7.85 1bzkA4 LEU 39 HA -0.04 0.24 0.54 -0.75 4.35 4.34 1bzkA4 LEU 39 HB2 -0.08 -0.06 0.13 -0.04 1.64 1.58 1bzkA4 LEU 39 HB3 -0.03 -0.00 0.15 -0.04 1.64 1.72 1bzkA4 LEU 39 HG -0.03 -0.10 0.07 -0.04 1.64 1.54 1bzkA4 LEU 39 HD13 -0.01 0.04 0.04 -0.04 0.93 0.95 1bzkA4 LEU 39 HD23 -0.06 0.03 -0.12 -0.04 0.89 0.70 1bzkA4 LEU 40 H -0.04 -0.02 -0.68 -0.55 8.37 7.08 1bzkA4 LEU 40 HA -0.01 0.07 0.47 -0.75 4.35 4.13 1bzkA4 LEU 40 HB2 -0.02 -0.01 -0.02 -0.04 1.64 1.55 1bzkA4 LEU 40 HB3 -0.01 -0.04 0.03 -0.04 1.64 1.59 1bzkA4 LEU 40 HG 0.01 0.01 -0.05 -0.04 1.64 1.57 1bzkA4 LEU 40 HD13 0.00 0.00 -0.11 -0.04 0.93 0.78 1bzkA4 LEU 40 HD23 -0.00 -0.02 -0.08 -0.04 0.89 0.75 1bzkA4 GLY 41 H -0.01 0.04 -0.04 -0.55 8.43 7.87 1bzkA4 GLY 41 HA2 -0.01 -0.04 0.34 -0.51 4.01 3.79 1bzkA4 GLY 41 HA3 -0.01 0.00 0.29 -0.51 4.01 3.79 1bzkA4 GLU 42 H -0.01 0.04 0.17 -0.55 8.60 8.25 1bzkA4 GLU 42 HA -0.02 0.18 0.46 -0.75 4.29 4.15 1bzkA4 GLU 42 HB2 -0.01 -0.08 0.14 -0.04 2.09 2.10 1bzkA4 GLU 42 HB3 -0.02 -0.02 0.02 -0.04 1.99 1.93 1bzkA4 GLU 42 HG2 -0.03 0.02 0.09 -0.04 2.34 2.38 1bzkA4 GLU 42 HG3 -0.02 0.06 0.05 -0.04 2.34 2.38 1bzkA4 LYS 43 H -0.01 -0.13 -0.50 -0.55 8.42 7.23 1bzkA4 LYS 43 HA -0.01 0.17 0.43 -0.75 4.32 4.16 1bzkA4 LYS 43 HB2 -0.01 -0.01 0.01 -0.04 1.87 1.82 1bzkA4 LYS 43 HB3 -0.01 0.03 0.03 -0.04 1.79 1.80 1bzkA4 LYS 43 HG2 -0.01 0.02 -0.02 -0.04 1.46 1.41 1bzkA4 LYS 43 HG3 -0.01 0.02 -0.17 -0.04 1.46 1.26 1bzkA4 LYS 43 HD2 -0.01 0.01 -0.03 -0.04 1.69 1.63 1bzkA4 LYS 43 HD3 -0.01 -0.09 0.00 -0.04 1.68 1.54 1bzkA4 LYS 43 HE2 -0.00 0.02 0.00 -0.04 2.99 2.97 1bzkA4 LYS 43 HE3 -0.00 0.02 -0.01 -0.04 2.99 2.96