============================================================================= 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. TRP 6 1.040 -38.414 10.897 39.581 -99.200 -91.000 TRP6 6 1.020 -39.295 9.360 38.051 -99.200 -91.000 TYR 18 0.840 -39.349 -1.197 42.818 -99.200 -91.000 TYR 19 0.840 -42.861 4.648 37.602 -99.200 -91.000 PHE 20 1.000 -36.466 3.627 46.571 -99.200 -91.000 HIS 22 0.900 -32.943 6.615 44.040 -99.200 -91.000 TRP 29 1.040 -47.136 -0.669 43.160 -99.200 -91.000 TRP6 29 1.020 -45.789 -2.536 42.693 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1i6cA5 LYS 1 HA -0.15 -0.11 0.13 -0.75 4.32 3.43 1i6cA5 LYS 1 HB2 -0.07 -0.00 0.04 -0.04 1.87 1.79 1i6cA5 LYS 1 HB3 -0.10 0.02 -0.05 -0.04 1.79 1.61 1i6cA5 LYS 1 HG2 -0.08 -0.04 -0.02 -0.04 1.46 1.29 1i6cA5 LYS 1 HG3 -0.06 -0.00 -0.00 -0.04 1.46 1.35 1i6cA5 LYS 1 HD2 -0.07 0.03 -0.01 -0.04 1.69 1.59 1i6cA5 LYS 1 HD3 -0.12 -0.05 -0.02 -0.04 1.68 1.45 1i6cA5 LYS 1 HE2 -0.06 -0.04 0.00 -0.04 2.99 2.85 1i6cA5 LYS 1 HE3 -0.06 0.21 0.00 -0.04 2.99 3.09 1i6cA5 LEU 2 H -0.25 0.09 0.03 -0.55 8.37 7.68 1i6cA5 LEU 2 HA -0.13 0.08 0.19 -0.75 4.35 3.74 1i6cA5 LEU 2 HB2 -0.57 -0.02 0.13 -0.04 1.64 1.14 1i6cA5 LEU 2 HB3 -0.19 -0.09 -0.08 -0.04 1.64 1.23 1i6cA5 LEU 2 HG -0.45 0.10 0.10 -0.04 1.64 1.36 1i6cA5 LEU 2 HD13 -0.73 -0.04 -0.11 -0.04 0.93 0.01 1i6cA5 LEU 2 HD23 -0.06 0.02 -0.17 -0.04 0.89 0.64 1i6cA5 PRO 3 HA -0.18 -0.05 -0.14 -0.51 4.44 3.56 1i6cA5 PRO 3 HB2 -0.02 -0.01 0.01 -0.04 2.28 2.22 1i6cA5 PRO 3 HB3 -0.86 -0.03 0.09 -0.04 2.02 1.18 1i6cA5 PRO 3 HG2 -0.07 0.08 0.04 -0.04 2.03 2.03 1i6cA5 PRO 3 HG3 -0.20 0.03 0.03 -0.04 2.03 1.84 1i6cA5 PRO 3 HD2 -0.13 0.20 -0.16 -0.04 3.68 3.55 1i6cA5 PRO 3 HD3 -0.28 0.01 0.08 -0.04 3.65 3.42 1i6cA5 PRO 4 HA 0.04 0.04 0.30 -0.51 4.44 4.31 1i6cA5 PRO 4 HB2 -0.01 0.03 0.16 -0.04 2.28 2.42 1i6cA5 PRO 4 HB3 0.00 0.04 0.13 -0.04 2.02 2.15 1i6cA5 PRO 4 HG2 -0.03 -0.02 0.15 -0.04 2.03 2.09 1i6cA5 PRO 4 HG3 -0.02 0.07 0.12 -0.04 2.03 2.16 1i6cA5 PRO 4 HD2 -0.05 0.39 0.53 -0.04 3.68 4.51 1i6cA5 PRO 4 HD3 -0.03 0.12 0.24 -0.04 3.65 3.94 1i6cA5 GLY 5 H 0.08 0.32 0.49 -0.55 8.43 8.77 1i6cA5 GLY 5 HA2 -0.09 0.05 0.41 -0.51 4.01 3.87 1i6cA5 GLY 5 HA3 -0.14 0.04 0.84 -0.51 4.01 4.24 1i6cA5 TRP 6 H 0.19 0.17 0.21 -0.55 7.97 7.99 1i6cA5 TRP 6 HA -0.42 0.29 0.79 -0.75 4.62 4.52 1i6cA5 TRP 6 HB2 -0.07 -0.06 -0.22 -0.04 3.23 2.85 1i6cA5 TRP 6 HB3 -0.13 0.00 -0.14 -0.04 3.23 2.93 1i6cA5 TRP 6 HD1 -0.06 0.12 0.13 -0.04 7.22 7.37 1i6cA5 TRP 6 HE1 -0.00 0.02 -0.01 -0.04 10.20 10.16 1i6cA5 TRP 6 HE3 0.08 -0.03 -0.33 -0.04 7.59 7.27 1i6cA5 TRP 6 HZ2 0.05 0.03 -0.05 -0.04 7.44 7.43 1i6cA5 TRP 6 HZ3 0.18 -0.01 -0.08 -0.04 7.13 7.17 1i6cA5 TRP 6 HH2 0.18 0.02 -0.03 -0.04 7.19 7.33 1i6cA5 GLU 7 H 0.34 0.39 0.18 -0.55 8.60 8.96 1i6cA5 GLU 7 HA -0.45 0.05 0.13 -0.75 4.29 3.27 1i6cA5 GLU 7 HB2 0.05 0.12 -0.07 -0.04 2.09 2.15 1i6cA5 GLU 7 HB3 0.15 -0.00 -0.00 -0.04 1.99 2.09 1i6cA5 GLU 7 HG2 -0.26 -0.02 0.13 -0.04 2.34 2.14 1i6cA5 GLU 7 HG3 -0.09 -0.01 0.03 -0.04 2.34 2.24 1i6cA5 LYS 8 H -0.07 0.13 0.08 -0.55 8.42 8.00 1i6cA5 LYS 8 HA -0.41 0.09 0.68 -0.75 4.32 3.93 1i6cA5 LYS 8 HB2 -0.07 -0.02 0.11 -0.04 1.87 1.84 1i6cA5 LYS 8 HB3 -0.13 -0.01 0.18 -0.04 1.79 1.79 1i6cA5 LYS 8 HG2 -0.69 0.07 -0.07 -0.04 1.46 0.72 1i6cA5 LYS 8 HG3 -0.20 -0.00 -0.02 -0.04 1.46 1.20 1i6cA5 LYS 8 HD2 -0.19 -0.02 -0.28 -0.04 1.69 1.17 1i6cA5 LYS 8 HD3 -0.11 0.01 -0.08 -0.04 1.68 1.45 1i6cA5 LYS 8 HE2 -0.06 0.01 -0.01 -0.04 2.99 2.89 1i6cA5 LYS 8 HE3 -0.06 0.00 0.02 -0.04 2.99 2.90 1i6cA5 ARG 9 H -0.47 0.76 0.26 -0.55 8.46 8.45 1i6cA5 ARG 9 HA -0.26 0.11 0.76 -0.75 4.34 4.20 1i6cA5 ARG 9 HB2 -0.94 -0.03 -0.07 -0.04 1.90 0.81 1i6cA5 ARG 9 HB3 -0.41 0.03 -0.07 -0.04 1.80 1.31 1i6cA5 ARG 9 HG2 -0.08 0.05 -0.35 -0.04 1.67 1.24 1i6cA5 ARG 9 HG3 0.02 0.18 -0.31 -0.04 1.67 1.51 1i6cA5 ARG 9 HD2 0.19 -0.01 -0.10 -0.04 3.22 3.26 1i6cA5 ARG 9 HD3 -0.00 -0.01 -0.08 -0.04 3.22 3.09 1i6cA5 MET 10 H -0.19 0.17 0.15 -0.55 8.47 8.06 1i6cA5 MET 10 HA -0.05 0.02 0.71 -0.75 4.52 4.44 1i6cA5 MET 10 HB2 -0.03 -0.01 0.11 -0.04 2.15 2.19 1i6cA5 MET 10 HB3 0.02 0.09 -0.01 -0.04 2.03 2.09 1i6cA5 MET 10 HG2 -0.04 -0.02 -0.04 -0.04 2.63 2.49 1i6cA5 MET 10 HG3 -0.06 0.01 0.00 -0.04 2.56 2.47 1i6cA5 MET 10 HE3 0.04 0.04 -0.15 -0.04 2.10 1.99 1i6cA5 SER 11 H 0.19 0.40 0.30 -0.55 8.46 8.80 1i6cA5 SER 11 HA 0.35 0.08 0.43 -0.75 4.49 4.59 1i6cA5 SER 11 HB2 0.28 -0.01 0.01 -0.04 3.95 4.18 1i6cA5 SER 11 HB3 0.50 0.06 -0.06 -0.04 3.93 4.39 1i6cA5 ARG 12 H 0.13 0.37 0.25 -0.55 8.46 8.65 1i6cA5 ARG 12 HA 0.05 0.10 0.41 -0.75 4.34 4.16 1i6cA5 ARG 12 HB2 0.05 0.05 0.15 -0.04 1.90 2.11 1i6cA5 ARG 12 HB3 0.03 -0.01 0.05 -0.04 1.80 1.83 1i6cA5 ARG 12 HG2 0.02 0.03 0.05 -0.04 1.67 1.73 1i6cA5 ARG 12 HG3 0.03 0.01 0.09 -0.04 1.67 1.75 1i6cA5 ARG 12 HD2 0.01 0.00 0.02 -0.04 3.22 3.22 1i6cA5 ARG 12 HD3 0.01 -0.00 0.00 -0.04 3.22 3.18 1i6cA5 SER 13 H 0.07 -0.00 -0.41 -0.55 8.46 7.58 1i6cA5 SER 13 HA 0.03 0.12 0.56 -0.75 4.49 4.45 1i6cA5 SER 13 HB2 0.04 0.01 0.04 -0.04 3.95 4.01 1i6cA5 SER 13 HB3 0.09 -0.07 0.06 -0.04 3.93 3.96 1i6cA5 SER 14 H 0.09 0.03 -0.08 -0.55 8.46 7.95 1i6cA5 SER 14 HA 0.04 0.19 0.65 -0.75 4.49 4.62 1i6cA5 SER 14 HB2 0.02 0.02 0.07 -0.04 3.95 4.02 1i6cA5 SER 14 HB3 0.03 0.12 -0.24 -0.04 3.93 3.79 1i6cA5 GLY 15 H 0.07 0.15 0.09 -0.55 8.43 8.20 1i6cA5 GLY 15 HA2 0.05 0.02 0.30 -0.51 4.01 3.87 1i6cA5 GLY 15 HA3 0.04 0.07 0.26 -0.51 4.01 3.87 1i6cA5 ARG 16 H 0.13 0.11 0.09 -0.55 8.46 8.23 1i6cA5 ARG 16 HA 0.13 0.22 0.75 -0.75 4.34 4.68 1i6cA5 ARG 16 HB2 0.38 -0.10 -0.07 -0.04 1.90 2.07 1i6cA5 ARG 16 HB3 0.44 0.11 -0.00 -0.04 1.80 2.31 1i6cA5 ARG 16 HG2 -0.27 -0.00 -0.03 -0.04 1.67 1.33 1i6cA5 ARG 16 HG3 -0.02 0.06 0.06 -0.04 1.67 1.73 1i6cA5 ARG 16 HD2 0.00 0.21 -0.40 -0.04 3.22 2.99 1i6cA5 ARG 16 HD3 0.03 -0.15 -0.27 -0.04 3.22 2.80 1i6cA5 VAL 17 H 0.25 0.27 0.19 -0.55 8.24 8.40 1i6cA5 VAL 17 HA 0.10 0.00 0.81 -0.75 4.13 4.29 1i6cA5 VAL 17 HB 0.03 -0.00 0.03 -0.04 2.12 2.14 1i6cA5 VAL 17 HG13 0.16 0.01 0.03 -0.04 0.97 1.12 1i6cA5 VAL 17 HG23 -0.18 0.01 -0.22 -0.04 0.95 0.53 1i6cA5 TYR 18 H -0.15 0.65 0.33 -0.55 8.29 8.57 1i6cA5 TYR 18 HA 0.05 0.16 0.92 -0.75 4.56 4.93 1i6cA5 TYR 18 HB2 -0.91 0.27 0.24 -0.04 3.06 2.61 1i6cA5 TYR 18 HB3 -0.65 -0.10 -0.03 -0.04 2.98 2.16 1i6cA5 TYR 18 HD2 -0.11 -0.05 -0.15 -0.04 7.15 6.81 1i6cA5 TYR 18 HE2 -0.16 0.03 -0.29 -0.04 6.85 6.38 1i6cA5 TYR 19 H 0.17 0.71 0.17 -0.55 8.29 8.78 1i6cA5 TYR 19 HA 0.10 0.12 0.81 -0.75 4.56 4.83 1i6cA5 TYR 19 HB2 0.01 -0.18 -0.18 -0.04 3.06 2.67 1i6cA5 TYR 19 HB3 0.01 0.05 -0.16 -0.04 2.98 2.84 1i6cA5 TYR 19 HD2 0.07 -0.04 -0.44 -0.04 7.15 6.70 1i6cA5 TYR 19 HE2 0.20 0.04 -0.13 -0.04 6.85 6.92 1i6cA5 PHE 20 H 0.37 0.37 0.09 -0.55 8.34 8.63 1i6cA5 PHE 20 HA 0.13 0.32 0.92 -0.75 4.62 5.23 1i6cA5 PHE 20 HB2 0.30 0.00 -0.39 -0.04 3.15 3.02 1i6cA5 PHE 20 HB3 0.18 0.07 -0.03 -0.04 3.06 3.24 1i6cA5 PHE 20 HD2 0.20 -0.01 -0.27 -0.04 7.28 7.16 1i6cA5 PHE 20 HE2 0.12 -0.01 -0.20 -0.04 7.38 7.25 1i6cA5 PHE 20 HZ 0.09 0.05 -0.09 -0.04 7.32 7.33 1i6cA5 ASN 21 H -0.11 0.44 0.06 -0.55 8.53 8.38 1i6cA5 ASN 21 HA -0.27 0.11 0.33 -0.75 4.76 4.18 1i6cA5 ASN 21 HB2 -0.10 0.07 -0.08 -0.04 2.88 2.72 1i6cA5 ASN 21 HB3 -0.16 -0.21 0.12 -0.04 2.79 2.50 1i6cA5 ASN 21 HD21 -0.06 0.01 -0.05 -0.04 7.03 6.90 1i6cA5 ASN 21 HD22 -0.08 0.65 -0.10 -0.04 7.74 8.17 1i6cA5 HIS 22 H -0.84 0.77 0.25 -0.55 8.41 8.05 1i6cA5 HIS 22 HA -0.60 0.06 0.22 -0.75 4.63 3.55 1i6cA5 HIS 22 HB2 -0.07 -0.01 0.09 -0.04 3.26 3.23 1i6cA5 HIS 22 HB3 -0.01 -0.01 0.02 -0.04 3.20 3.15 1i6cA5 HIS 22 HD2 -0.02 -0.05 -0.01 -0.04 6.97 6.84 1i6cA5 HIS 22 HE1 0.05 -0.01 -0.09 -0.04 7.75 7.65 1i6cA5 ILE 23 H -0.14 0.16 -0.01 -0.55 8.25 7.70 1i6cA5 ILE 23 HA 0.00 0.12 0.50 -0.75 4.18 4.05 1i6cA5 ILE 23 HB -0.04 0.09 0.16 -0.04 1.89 2.06 1i6cA5 ILE 23 HG12 -0.04 0.01 0.19 -0.04 1.49 1.60 1i6cA5 ILE 23 HG13 -0.01 -0.00 0.06 -0.04 1.21 1.21 1i6cA5 ILE 23 HG23 -0.00 -0.01 -0.03 -0.04 0.93 0.85 1i6cA5 ILE 23 HD13 0.03 -0.01 -0.04 -0.04 0.88 0.82 1i6cA5 THR 24 H -0.08 0.02 -0.10 -0.55 8.28 7.57 1i6cA5 THR 24 HA -0.01 0.11 0.59 -0.75 4.39 4.33 1i6cA5 THR 24 HB -0.02 0.06 -0.01 -0.04 4.32 4.31 1i6cA5 THR 24 HG23 -0.04 0.03 0.06 -0.04 1.22 1.23 1i6cA5 ASN 25 H -0.10 -0.05 -0.20 -0.55 8.53 7.64 1i6cA5 ASN 25 HA 0.00 0.23 0.21 -0.75 4.76 4.45 1i6cA5 ASN 25 HB2 0.10 0.10 0.28 -0.04 2.88 3.32 1i6cA5 ASN 25 HB3 0.27 -0.09 0.14 -0.04 2.79 3.07 1i6cA5 ASN 25 HD21 0.05 0.12 -0.61 -0.04 7.03 6.55 1i6cA5 ASN 25 HD22 0.08 0.07 -0.10 -0.04 7.74 7.74 1i6cA5 ALA 26 H -0.05 -0.00 -0.03 -0.55 8.40 7.77 1i6cA5 ALA 26 HA 0.05 0.17 0.60 -0.75 4.34 4.41 1i6cA5 ALA 26 HB3 -0.02 0.02 0.07 -0.04 1.41 1.44 1i6cA5 SER 27 H 0.15 0.38 0.05 -0.55 8.46 8.50 1i6cA5 SER 27 HA 0.30 0.13 0.82 -0.75 4.49 4.98 1i6cA5 SER 27 HB2 -0.21 -0.01 0.01 -0.04 3.95 3.70 1i6cA5 SER 27 HB3 0.05 -0.01 0.01 -0.04 3.93 3.95 1i6cA5 GLN 28 H 0.02 0.55 0.35 -0.55 8.47 8.84 1i6cA5 GLN 28 HA -0.33 0.14 0.62 -0.75 4.36 4.04 1i6cA5 GLN 28 HB2 0.02 -0.12 0.13 -0.04 2.15 2.14 1i6cA5 GLN 28 HB3 -0.01 0.16 -0.20 -0.04 2.02 1.93 1i6cA5 GLN 28 HG2 0.01 0.17 -0.27 -0.04 2.40 2.26 1i6cA5 GLN 28 HG3 0.00 -0.14 -0.05 -0.04 2.39 2.17 1i6cA5 GLN 28 HE21 -0.11 -0.07 0.03 -0.04 6.97 6.79 1i6cA5 GLN 28 HE22 -0.06 0.03 -0.03 -0.04 7.69 7.59 1i6cA5 TRP 29 H 0.08 0.17 0.15 -0.55 7.97 7.82 1i6cA5 TRP 29 HA 0.30 0.08 0.79 -0.75 4.62 5.03 1i6cA5 TRP 29 HB2 0.06 0.01 0.10 -0.04 3.23 3.36 1i6cA5 TRP 29 HB3 0.13 0.09 0.23 -0.04 3.23 3.64 1i6cA5 TRP 29 HD1 0.04 0.00 -0.03 -0.04 7.22 7.19 1i6cA5 TRP 29 HE1 0.03 0.04 -0.08 -0.04 10.20 10.15 1i6cA5 TRP 29 HE3 0.16 0.27 0.07 -0.04 7.59 8.05 1i6cA5 TRP 29 HZ2 -0.00 0.01 -0.06 -0.04 7.44 7.35 1i6cA5 TRP 29 HZ3 0.14 -0.12 -0.23 -0.04 7.13 6.89 1i6cA5 TRP 29 HH2 0.02 -0.06 -0.07 -0.04 7.19 7.04 1i6cA5 GLU 30 H -0.03 0.07 -0.01 -0.55 8.60 8.08 1i6cA5 GLU 30 HA -0.31 0.15 0.80 -0.75 4.29 4.18 1i6cA5 GLU 30 HB2 -0.02 0.05 -0.23 -0.04 2.09 1.85 1i6cA5 GLU 30 HB3 -0.05 -0.06 -0.01 -0.04 1.99 1.83 1i6cA5 GLU 30 HG2 -0.16 0.13 -0.14 -0.04 2.34 2.13 1i6cA5 GLU 30 HG3 -0.07 -0.00 -0.05 -0.04 2.34 2.18 1i6cA5 ARG 31 H -0.68 0.18 0.14 -0.55 8.46 7.55 1i6cA5 ARG 31 HA -0.61 0.06 0.50 -0.75 4.34 3.54 1i6cA5 ARG 31 HB2 -0.25 0.02 0.12 -0.04 1.90 1.75 1i6cA5 ARG 31 HB3 -0.18 0.06 0.13 -0.04 1.80 1.77 1i6cA5 ARG 31 HG2 -0.06 -0.07 -0.16 -0.04 1.67 1.35 1i6cA5 ARG 31 HG3 0.15 -0.00 0.00 -0.04 1.67 1.78 1i6cA5 ARG 31 HD2 0.17 -0.00 -0.02 -0.04 3.22 3.33 1i6cA5 ARG 31 HD3 0.08 0.01 0.01 -0.04 3.22 3.29 1i6cA5 PRO 32 HA -0.24 0.16 0.14 -0.51 4.44 3.99 1i6cA5 PRO 32 HB2 -0.27 0.08 0.13 -0.04 2.28 2.17 1i6cA5 PRO 32 HB3 -0.42 -0.13 0.17 -0.04 2.02 1.59 1i6cA5 PRO 32 HG2 -0.39 0.04 -0.08 -0.04 2.03 1.56 1i6cA5 PRO 32 HG3 -1.16 0.01 0.06 -0.04 2.03 0.89 1i6cA5 PRO 32 HD2 -0.64 0.10 0.08 -0.04 3.68 3.17 1i6cA5 PRO 32 HD3 -1.09 0.15 0.21 -0.04 3.65 2.88 1i6cA5 SER 33 H -0.15 0.15 -1.00 -0.55 8.46 6.92 1i6cA5 SER 33 HA -0.05 -0.05 0.07 -0.75 4.49 3.70 1i6cA5 SER 33 HB2 -0.06 0.20 -0.30 -0.04 3.95 3.75 1i6cA5 SER 33 HB3 -0.04 0.12 0.08 -0.04 3.93 4.04 1i6cA5 GLY 34 H -0.04 0.42 -0.27 -0.55 8.43 7.99 1i6cA5 GLY 34 HA2 0.03 0.04 0.32 -0.51 4.01 3.89 1i6cA5 GLY 34 HA3 0.04 0.13 0.65 -0.51 4.01 4.32 1i6cA5 ASN 35 H 0.01 0.07 -0.37 -0.55 8.53 7.69 1i6cA5 ASN 35 HA 0.00 0.21 0.72 -0.75 4.76 4.93 1i6cA5 ASN 35 HB2 0.01 0.02 -0.21 -0.04 2.88 2.67 1i6cA5 ASN 35 HB3 0.01 -0.06 0.01 -0.04 2.79 2.72 1i6cA5 ASN 35 HD21 0.01 0.08 0.05 -0.04 7.03 7.12 1i6cA5 ASN 35 HD22 0.01 -0.02 0.00 -0.04 7.74 7.69 1i6cA5 SER 36 H -0.00 -0.02 0.02 -0.55 8.46 7.92 1i6cA5 SER 36 HA -0.01 0.20 0.45 -0.75 4.49 4.37 1i6cA5 SER 36 HB2 0.00 0.08 0.08 -0.04 3.95 4.08 1i6cA5 SER 36 HB3 -0.00 -0.10 0.12 -0.04 3.93 3.91 1i6cA5 SER 37 H -0.01 0.08 0.12 -0.55 8.46 8.10 1i6cA5 SER 37 HA -0.02 0.20 0.51 -0.75 4.49 4.43 1i6cA5 SER 37 HB2 -0.02 0.10 0.06 -0.04 3.95 4.05 1i6cA5 SER 37 HB3 -0.01 0.05 0.12 -0.04 3.93 4.05 1i6cA5 SER 38 H -0.02 -0.25 -0.04 -0.55 8.46 7.60 1i6cA5 SER 38 HA -0.05 0.19 0.20 -0.75 4.49 4.07 1i6cA5 SER 38 HB2 -0.04 0.17 -0.10 -0.04 3.95 3.94 1i6cA5 SER 38 HB3 -0.03 -0.06 -0.00 -0.04 3.93 3.80 1i6cA5 GLY 39 H -0.02 -0.04 -0.09 -0.55 8.43 7.73 1i6cA5 GLY 39 HA2 -0.00 0.14 0.18 -0.51 4.01 3.81 1i6cA5 GLY 39 HA3 -0.01 0.22 -0.51 -0.51 4.01 3.20