============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 9 rings ring int. center anis. iso. PHE 7 1.000 4.764 1.839 9.996 -99.200 -91.000 TYR 9 0.840 2.540 2.372 2.908 -99.200 -91.000 TYR 13 0.840 -0.729 11.491 -10.531 -99.200 -91.000 PHE 15 1.000 -1.593 -0.301 -10.757 -99.200 -91.000 TRP 56 1.040 6.808 -7.629 -3.351 -99.200 -91.000 TRP6 56 1.020 5.747 -9.363 -2.153 -99.200 -91.000 PHE 70 1.000 -0.248 -0.904 -1.232 -99.200 -91.000 TYR 74 0.840 1.672 3.427 -10.322 -99.200 -91.000 PHE 77 1.000 5.578 6.065 6.326 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2kt1A14 MET 1 HA -0.02 -0.03 0.06 -0.75 4.52 3.77 2kt1A14 MET 1 HB2 -0.02 -0.02 0.12 -0.04 2.15 2.19 2kt1A14 MET 1 HB3 -0.02 -0.02 0.05 -0.04 2.03 2.00 2kt1A14 MET 1 HG2 -0.01 0.00 -0.04 -0.04 2.63 2.54 2kt1A14 MET 1 HG3 -0.01 -0.01 -0.18 -0.04 2.56 2.32 2kt1A14 MET 1 HE3 -0.01 -0.00 -0.02 -0.04 2.10 2.03 2kt1A14 ALA 2 H -0.03 0.57 -0.01 -0.55 8.40 8.38 2kt1A14 ALA 2 HA -0.02 0.00 0.40 -0.75 4.34 3.97 2kt1A14 ALA 2 HB3 -0.02 -0.01 0.11 -0.04 1.41 1.45 2kt1A14 GLY 3 H -0.02 0.33 0.27 -0.55 8.43 8.47 2kt1A14 GLY 3 HA2 -0.01 -0.03 0.27 -0.51 4.01 3.72 2kt1A14 GLY 3 HA3 -0.02 0.14 0.49 -0.51 4.01 4.11 2kt1A14 PRO 4 HA -0.02 0.09 0.57 -0.51 4.44 4.56 2kt1A14 PRO 4 HB2 -0.01 -0.23 0.04 -0.04 2.28 2.03 2kt1A14 PRO 4 HB3 -0.00 0.06 0.10 -0.04 2.02 2.13 2kt1A14 PRO 4 HG2 -0.02 0.05 -0.05 -0.04 2.03 1.97 2kt1A14 PRO 4 HG3 0.01 0.05 -0.04 -0.04 2.03 2.01 2kt1A14 PRO 4 HD2 -0.02 0.19 0.17 -0.04 3.68 3.98 2kt1A14 PRO 4 HD3 -0.01 0.12 0.13 -0.04 3.65 3.85 2kt1A14 GLU 5 H -0.05 0.10 0.16 -0.55 8.60 8.26 2kt1A14 GLU 5 HA -0.12 0.23 0.42 -0.75 4.29 4.07 2kt1A14 GLU 5 HB2 -0.06 -0.11 0.15 -0.04 2.09 2.03 2kt1A14 GLU 5 HB3 -0.10 0.04 0.24 -0.04 1.99 2.13 2kt1A14 GLU 5 HG2 -0.07 0.10 0.01 -0.04 2.34 2.35 2kt1A14 GLU 5 HG3 -0.05 0.00 0.02 -0.04 2.34 2.27 2kt1A14 GLY 6 H -0.08 -0.05 -0.79 -0.55 8.43 6.96 2kt1A14 GLY 6 HA2 -0.13 0.03 0.55 -0.51 4.01 3.95 2kt1A14 GLY 6 HA3 -0.01 0.21 0.44 -0.51 4.01 4.14 2kt1A14 PHE 7 H 0.13 0.53 0.26 -0.55 8.34 8.71 2kt1A14 PHE 7 HA -0.06 0.22 0.81 -0.75 4.62 4.84 2kt1A14 PHE 7 HB2 -0.03 -0.06 -0.07 -0.04 3.15 2.94 2kt1A14 PHE 7 HB3 0.03 0.05 -0.07 -0.04 3.06 3.03 2kt1A14 PHE 7 HD2 0.16 -0.04 -0.30 -0.04 7.28 7.06 2kt1A14 PHE 7 HE2 0.09 -0.01 -0.06 -0.04 7.38 7.35 2kt1A14 PHE 7 HZ 0.03 -0.04 -0.03 -0.04 7.32 7.24 2kt1A14 GLN 8 H -0.11 0.67 0.33 -0.55 8.47 8.82 2kt1A14 GLN 8 HA -0.07 0.27 1.15 -0.75 4.36 4.96 2kt1A14 GLN 8 HB2 -0.13 0.03 0.13 -0.04 2.15 2.13 2kt1A14 GLN 8 HB3 -0.07 0.03 0.00 -0.04 2.02 1.94 2kt1A14 GLN 8 HG2 -0.03 -0.05 -0.11 -0.04 2.40 2.17 2kt1A14 GLN 8 HG3 -0.07 -0.01 -0.23 -0.04 2.39 2.03 2kt1A14 GLN 8 HE21 -0.08 0.10 -0.13 -0.04 6.97 6.82 2kt1A14 GLN 8 HE22 -0.06 -0.02 -0.05 -0.04 7.69 7.52 2kt1A14 TYR 9 H 0.06 0.68 0.37 -0.55 8.29 8.85 2kt1A14 TYR 9 HA 0.03 0.17 1.02 -0.75 4.56 5.03 2kt1A14 TYR 9 HB2 -0.02 -0.05 -0.00 -0.04 3.06 2.95 2kt1A14 TYR 9 HB3 0.07 0.01 -0.02 -0.04 2.98 3.00 2kt1A14 TYR 9 HD2 0.26 0.04 -0.20 -0.04 7.15 7.21 2kt1A14 TYR 9 HE2 0.23 0.10 -0.14 -0.04 6.85 7.00 2kt1A14 ARG 10 H 0.16 0.52 0.26 -0.55 8.46 8.85 2kt1A14 ARG 10 HA 0.00 0.23 1.00 -0.75 4.34 4.82 2kt1A14 ARG 10 HB2 -0.01 0.01 -0.19 -0.04 1.90 1.67 2kt1A14 ARG 10 HB3 0.02 -0.02 0.08 -0.04 1.80 1.83 2kt1A14 ARG 10 HG2 -0.02 0.04 -0.31 -0.04 1.67 1.34 2kt1A14 ARG 10 HG3 -0.02 0.04 -0.19 -0.04 1.67 1.46 2kt1A14 ARG 10 HD2 -0.02 -0.00 -0.09 -0.04 3.22 3.06 2kt1A14 ARG 10 HD3 -0.01 -0.03 -0.08 -0.04 3.22 3.05 2kt1A14 ALA 11 H -0.02 0.64 0.26 -0.55 8.40 8.74 2kt1A14 ALA 11 HA 0.02 0.13 0.56 -0.75 4.34 4.29 2kt1A14 ALA 11 HB3 -0.01 0.04 0.02 -0.04 1.41 1.42 2kt1A14 LEU 12 H 0.07 0.76 0.45 -0.55 8.37 9.11 2kt1A14 LEU 12 HA -0.12 0.05 0.54 -0.75 4.35 4.07 2kt1A14 LEU 12 HB2 0.20 0.02 0.14 -0.04 1.64 1.96 2kt1A14 LEU 12 HB3 -0.05 -0.04 0.04 -0.04 1.64 1.55 2kt1A14 LEU 12 HG 0.08 0.09 -0.06 -0.04 1.64 1.70 2kt1A14 LEU 12 HD13 0.11 0.00 -0.10 -0.04 0.93 0.90 2kt1A14 LEU 12 HD23 0.01 -0.02 -0.08 -0.04 0.89 0.76 2kt1A14 TYR 13 H 0.14 0.21 0.11 -0.55 8.29 8.20 2kt1A14 TYR 13 HA 0.02 0.18 0.79 -0.75 4.56 4.80 2kt1A14 TYR 13 HB2 0.04 -0.04 -0.02 -0.04 3.06 3.01 2kt1A14 TYR 13 HB3 0.01 0.08 0.05 -0.04 2.98 3.07 2kt1A14 TYR 13 HD2 0.06 -0.02 -0.03 -0.04 7.15 7.11 2kt1A14 TYR 13 HE2 0.04 -0.02 -0.02 -0.04 6.85 6.81 2kt1A14 PRO 14 HA 0.04 0.32 0.52 -0.51 4.44 4.81 2kt1A14 PRO 14 HB2 0.01 -0.00 0.02 -0.04 2.28 2.26 2kt1A14 PRO 14 HB3 0.02 -0.00 0.16 -0.04 2.02 2.16 2kt1A14 PRO 14 HG2 0.06 0.01 0.15 -0.04 2.03 2.21 2kt1A14 PRO 14 HG3 0.06 0.03 0.12 -0.04 2.03 2.20 2kt1A14 PRO 14 HD2 0.26 0.09 0.23 -0.04 3.68 4.21 2kt1A14 PRO 14 HD3 0.10 0.14 0.21 -0.04 3.65 4.06 2kt1A14 PHE 15 H 0.08 0.61 0.38 -0.55 8.34 8.86 2kt1A14 PHE 15 HA -0.18 0.15 0.95 -0.75 4.62 4.80 2kt1A14 PHE 15 HB2 -0.52 0.06 -0.03 -0.04 3.15 2.62 2kt1A14 PHE 15 HB3 -0.11 -0.06 0.22 -0.04 3.06 3.07 2kt1A14 PHE 15 HD2 -0.15 0.05 0.03 -0.04 7.28 7.17 2kt1A14 PHE 15 HE2 0.11 -0.03 -0.02 -0.04 7.38 7.40 2kt1A14 PHE 15 HZ 0.11 -0.03 -0.04 -0.04 7.32 7.32 2kt1A14 ARG 16 H -0.44 0.26 0.16 -0.55 8.46 7.89 2kt1A14 ARG 16 HA -0.33 0.12 0.75 -0.75 4.34 4.12 2kt1A14 ARG 16 HB2 -0.14 0.04 0.00 -0.04 1.90 1.76 2kt1A14 ARG 16 HB3 -0.12 0.03 -0.13 -0.04 1.80 1.54 2kt1A14 ARG 16 HG2 -0.09 0.03 -0.11 -0.04 1.67 1.46 2kt1A14 ARG 16 HG3 -0.15 -0.02 -0.03 -0.04 1.67 1.43 2kt1A14 ARG 16 HD2 -0.17 -0.02 -0.52 -0.04 3.22 2.47 2kt1A14 ARG 16 HD3 -0.10 0.03 -0.23 -0.04 3.22 2.89 2kt1A14 ARG 17 H -0.21 0.21 0.05 -0.55 8.46 7.96 2kt1A14 ARG 17 HA -0.19 0.19 0.90 -0.75 4.34 4.48 2kt1A14 ARG 17 HB2 -0.11 0.01 -0.04 -0.04 1.90 1.72 2kt1A14 ARG 17 HB3 -0.06 -0.10 0.04 -0.04 1.80 1.64 2kt1A14 ARG 17 HG2 -0.14 0.06 0.02 -0.04 1.67 1.56 2kt1A14 ARG 17 HG3 -0.53 -0.01 -0.35 -0.04 1.67 0.73 2kt1A14 ARG 17 HD2 0.27 0.04 -0.02 -0.04 3.22 3.47 2kt1A14 ARG 17 HD3 0.12 -0.02 -0.02 -0.04 3.22 3.26 2kt1A14 GLU 18 H -0.06 0.15 0.13 -0.55 8.60 8.27 2kt1A14 GLU 18 HA -0.04 0.12 0.48 -0.75 4.29 4.09 2kt1A14 GLU 18 HB2 -0.02 -0.04 0.11 -0.04 2.09 2.10 2kt1A14 GLU 18 HB3 -0.02 0.04 0.05 -0.04 1.99 2.02 2kt1A14 GLU 18 HG2 -0.03 0.04 0.02 -0.04 2.34 2.33 2kt1A14 GLU 18 HG3 -0.04 -0.05 0.07 -0.04 2.34 2.28 2kt1A14 ARG 19 H -0.02 -0.00 -0.06 -0.55 8.46 7.83 2kt1A14 ARG 19 HA -0.01 0.22 0.64 -0.75 4.34 4.44 2kt1A14 ARG 19 HB2 0.00 -0.04 0.13 -0.04 1.90 1.96 2kt1A14 ARG 19 HB3 0.00 0.03 0.04 -0.04 1.80 1.83 2kt1A14 ARG 19 HG2 -0.00 0.07 -0.00 -0.04 1.67 1.70 2kt1A14 ARG 19 HG3 -0.01 -0.09 -0.01 -0.04 1.67 1.52 2kt1A14 ARG 19 HD2 -0.00 0.02 0.01 -0.04 3.22 3.21 2kt1A14 ARG 19 HD3 0.01 -0.02 0.03 -0.04 3.22 3.20 2kt1A14 PRO 20 HA 0.00 0.10 0.10 -0.51 4.44 4.13 2kt1A14 PRO 20 HB2 0.01 0.05 0.10 -0.04 2.28 2.40 2kt1A14 PRO 20 HB3 0.00 0.05 0.11 -0.04 2.02 2.13 2kt1A14 PRO 20 HG2 0.01 0.03 -0.01 -0.04 2.03 2.01 2kt1A14 PRO 20 HG3 0.00 0.04 0.08 -0.04 2.03 2.11 2kt1A14 PRO 20 HD2 0.00 0.03 0.18 -0.04 3.68 3.85 2kt1A14 PRO 20 HD3 -0.00 0.28 0.29 -0.04 3.65 4.18 2kt1A14 GLU 21 H 0.02 0.04 -0.77 -0.55 8.60 7.33 2kt1A14 GLU 21 HA 0.03 0.13 0.55 -0.75 4.29 4.24 2kt1A14 GLU 21 HB2 0.02 -0.03 0.03 -0.04 2.09 2.06 2kt1A14 GLU 21 HB3 0.02 -0.03 -0.00 -0.04 1.99 1.94 2kt1A14 GLU 21 HG2 0.04 0.01 -0.08 -0.04 2.34 2.27 2kt1A14 GLU 21 HG3 0.03 0.01 0.08 -0.04 2.34 2.42 2kt1A14 ASP 22 H 0.04 0.20 -0.15 -0.55 8.40 7.94 2kt1A14 ASP 22 HA 0.12 0.13 0.47 -0.75 4.63 4.59 2kt1A14 ASP 22 HB2 0.07 -0.00 0.07 -0.04 2.71 2.81 2kt1A14 ASP 22 HB3 0.07 -0.03 -0.04 -0.04 2.70 2.66 2kt1A14 LEU 23 H 0.21 0.20 -0.02 -0.55 8.37 8.22 2kt1A14 LEU 23 HA 0.09 0.18 0.70 -0.75 4.35 4.57 2kt1A14 LEU 23 HB2 0.17 -0.00 -0.37 -0.04 1.64 1.39 2kt1A14 LEU 23 HB3 0.25 -0.03 -0.18 -0.04 1.64 1.63 2kt1A14 LEU 23 HG 0.10 0.04 -0.48 -0.04 1.64 1.25 2kt1A14 LEU 23 HD13 0.07 -0.03 -0.23 -0.04 0.93 0.70 2kt1A14 LEU 23 HD23 0.14 -0.02 -0.21 -0.04 0.89 0.76 2kt1A14 GLU 24 H 0.04 0.16 0.01 -0.55 8.60 8.26 2kt1A14 GLU 24 HA -0.01 0.32 0.70 -0.75 4.29 4.54 2kt1A14 GLU 24 HB2 0.00 -0.05 0.14 -0.04 2.09 2.14 2kt1A14 GLU 24 HB3 -0.01 0.03 -0.05 -0.04 1.99 1.91 2kt1A14 GLU 24 HG2 -0.03 0.03 0.01 -0.04 2.34 2.30 2kt1A14 GLU 24 HG3 -0.08 -0.02 0.08 -0.04 2.34 2.29 2kt1A14 LEU 25 H 0.11 0.68 0.45 -0.55 8.37 9.07 2kt1A14 LEU 25 HA 0.03 0.04 0.84 -0.75 4.35 4.50 2kt1A14 LEU 25 HB2 0.14 -0.01 0.19 -0.04 1.64 1.92 2kt1A14 LEU 25 HB3 0.03 -0.00 0.00 -0.04 1.64 1.63 2kt1A14 LEU 25 HG 0.27 0.22 0.01 -0.04 1.64 2.10 2kt1A14 LEU 25 HD13 0.09 -0.02 -0.08 -0.04 0.93 0.88 2kt1A14 LEU 25 HD23 -0.03 -0.01 -0.29 -0.04 0.89 0.52 2kt1A14 LEU 26 H 0.00 0.09 0.12 -0.55 8.37 8.04 2kt1A14 LEU 26 HA 0.01 0.20 0.85 -0.75 4.35 4.66 2kt1A14 LEU 26 HB2 -0.00 -0.13 0.04 -0.04 1.64 1.50 2kt1A14 LEU 26 HB3 -0.01 0.14 -0.06 -0.04 1.64 1.67 2kt1A14 LEU 26 HG -0.00 0.01 -0.08 -0.04 1.64 1.53 2kt1A14 LEU 26 HD13 0.00 0.03 -0.02 -0.04 0.93 0.90 2kt1A14 LEU 26 HD23 0.00 -0.02 -0.43 -0.04 0.89 0.40 2kt1A14 PRO 27 HA -0.06 0.13 -0.08 -0.51 4.44 3.93 2kt1A14 PRO 27 HB2 -0.09 0.05 0.00 -0.04 2.28 2.21 2kt1A14 PRO 27 HB3 -0.10 0.09 0.04 -0.04 2.02 2.01 2kt1A14 PRO 27 HG2 -0.02 0.02 0.11 -0.04 2.03 2.10 2kt1A14 PRO 27 HG3 0.01 0.04 0.10 -0.04 2.03 2.14 2kt1A14 PRO 27 HD2 0.00 0.06 0.16 -0.04 3.68 3.86 2kt1A14 PRO 27 HD3 0.02 0.12 0.09 -0.04 3.65 3.84 2kt1A14 GLY 28 H -0.06 0.82 0.32 -0.55 8.43 8.96 2kt1A14 GLY 28 HA2 -0.04 0.01 0.34 -0.51 4.01 3.81 2kt1A14 GLY 28 HA3 -0.04 0.09 0.61 -0.51 4.01 4.17 2kt1A14 ASP 29 H -0.03 0.35 -0.07 -0.55 8.40 8.10 2kt1A14 ASP 29 HA -0.02 0.16 0.76 -0.75 4.63 4.78 2kt1A14 ASP 29 HB2 -0.02 0.07 -0.03 -0.04 2.71 2.69 2kt1A14 ASP 29 HB3 -0.02 -0.01 0.11 -0.04 2.70 2.74 2kt1A14 VAL 30 H -0.02 0.11 0.22 -0.55 8.24 8.00 2kt1A14 VAL 30 HA -0.02 0.31 0.92 -0.75 4.13 4.59 2kt1A14 VAL 30 HB -0.02 -0.07 0.14 -0.04 2.12 2.13 2kt1A14 VAL 30 HG13 -0.03 0.03 -0.13 -0.04 0.97 0.81 2kt1A14 VAL 30 HG23 -0.03 0.02 -0.03 -0.04 0.95 0.87 2kt1A14 LEU 31 H -0.00 0.68 0.22 -0.55 8.37 8.73 2kt1A14 LEU 31 HA -0.04 0.23 0.95 -0.75 4.35 4.74 2kt1A14 LEU 31 HB2 -0.07 -0.09 0.03 -0.04 1.64 1.48 2kt1A14 LEU 31 HB3 -0.27 0.04 -0.17 -0.04 1.64 1.20 2kt1A14 LEU 31 HG -0.24 -0.02 -0.21 -0.04 1.64 1.13 2kt1A14 LEU 31 HD13 -0.11 -0.04 -0.27 -0.04 0.93 0.47 2kt1A14 LEU 31 HD23 -1.10 0.01 -0.22 -0.04 0.89 -0.46 2kt1A14 VAL 32 H 0.04 0.67 0.30 -0.55 8.24 8.70 2kt1A14 VAL 32 HA 0.05 0.15 0.80 -0.75 4.13 4.37 2kt1A14 VAL 32 HB 0.04 -0.02 0.18 -0.04 2.12 2.28 2kt1A14 VAL 32 HG13 0.02 -0.01 -0.14 -0.04 0.97 0.79 2kt1A14 VAL 32 HG23 0.00 0.02 -0.07 -0.04 0.95 0.86 2kt1A14 VAL 33 H 0.13 0.69 0.35 -0.55 8.24 8.86 2kt1A14 VAL 33 HA 0.18 0.09 1.07 -0.75 4.13 4.72 2kt1A14 VAL 33 HB 0.34 0.03 0.16 -0.04 2.12 2.60 2kt1A14 VAL 33 HG13 0.18 0.07 -0.06 -0.04 0.97 1.13 2kt1A14 VAL 33 HG23 0.56 0.01 -0.26 -0.04 0.95 1.22 2kt1A14 SER 34 H 0.09 0.21 0.17 -0.55 8.46 8.38 2kt1A14 SER 34 HA 0.03 0.02 0.49 -0.75 4.49 4.27 2kt1A14 SER 34 HB2 0.05 0.01 0.10 -0.04 3.95 4.07 2kt1A14 SER 34 HB3 0.03 -0.07 0.10 -0.04 3.93 3.94 2kt1A14 ARG 35 H 0.01 0.10 0.14 -0.55 8.46 8.15 2kt1A14 ARG 35 HA 0.08 0.13 0.34 -0.75 4.34 4.14 2kt1A14 ARG 35 HB2 -0.03 0.12 -0.21 -0.04 1.90 1.74 2kt1A14 ARG 35 HB3 0.00 -0.07 0.08 -0.04 1.80 1.78 2kt1A14 ARG 35 HG2 0.00 0.05 -0.03 -0.04 1.67 1.65 2kt1A14 ARG 35 HG3 0.03 -0.03 -0.19 -0.04 1.67 1.44 2kt1A14 ARG 35 HD2 0.08 0.01 0.01 -0.04 3.22 3.27 2kt1A14 ARG 35 HD3 0.12 -0.09 0.06 -0.04 3.22 3.28 2kt1A14 ALA 36 H 0.02 0.07 -0.11 -0.55 8.40 7.84 2kt1A14 ALA 36 HA 0.02 0.09 0.32 -0.75 4.34 4.01 2kt1A14 ALA 36 HB3 0.02 0.03 0.04 -0.04 1.41 1.46 2kt1A14 ALA 37 H 0.04 0.15 -0.51 -0.55 8.40 7.53 2kt1A14 ALA 37 HA 0.01 0.07 0.46 -0.75 4.34 4.12 2kt1A14 ALA 37 HB3 0.03 0.05 0.11 -0.04 1.41 1.56 2kt1A14 LEU 38 H 0.04 0.31 -0.04 -0.55 8.37 8.14 2kt1A14 LEU 38 HA -0.07 0.08 0.45 -0.75 4.35 4.05 2kt1A14 LEU 38 HB2 0.09 0.10 0.12 -0.04 1.64 1.91 2kt1A14 LEU 38 HB3 0.01 -0.03 0.02 -0.04 1.64 1.60 2kt1A14 LEU 38 HG 0.14 0.06 -0.00 -0.04 1.64 1.79 2kt1A14 LEU 38 HD13 0.26 -0.02 -0.07 -0.04 0.93 1.06 2kt1A14 LEU 38 HD23 0.02 0.00 -0.06 -0.04 0.89 0.81 2kt1A14 GLN 39 H 0.02 0.47 -0.16 -0.55 8.47 8.25 2kt1A14 GLN 39 HA -0.00 0.07 0.47 -0.75 4.36 4.14 2kt1A14 GLN 39 HB2 0.01 0.10 0.13 -0.04 2.15 2.35 2kt1A14 GLN 39 HB3 0.01 -0.01 0.02 -0.04 2.02 2.00 2kt1A14 GLN 39 HG2 0.03 0.25 -0.12 -0.04 2.40 2.52 2kt1A14 GLN 39 HG3 0.02 -0.07 -0.08 -0.04 2.39 2.21 2kt1A14 GLN 39 HE21 0.01 -0.01 -0.02 -0.04 6.97 6.91 2kt1A14 GLN 39 HE22 0.02 -0.01 -0.01 -0.04 7.69 7.65 2kt1A14 ALA 40 H -0.01 0.49 -0.16 -0.55 8.40 8.18 2kt1A14 ALA 40 HA -0.00 0.02 0.47 -0.75 4.34 4.08 2kt1A14 ALA 40 HB3 0.00 0.02 0.13 -0.04 1.41 1.52 2kt1A14 LEU 41 H -0.09 0.45 -0.11 -0.55 8.37 8.07 2kt1A14 LEU 41 HA -0.18 0.03 0.46 -0.75 4.35 3.91 2kt1A14 LEU 41 HB2 -0.19 0.02 0.12 -0.04 1.64 1.55 2kt1A14 LEU 41 HB3 -0.36 -0.00 0.08 -0.04 1.64 1.31 2kt1A14 LEU 41 HG -0.24 0.24 0.09 -0.04 1.64 1.70 2kt1A14 LEU 41 HD13 -0.37 -0.04 0.01 -0.04 0.93 0.50 2kt1A14 LEU 41 HD23 -0.88 -0.01 0.03 -0.04 0.89 -0.01 2kt1A14 GLY 42 H -0.05 0.19 -0.81 -0.55 8.43 7.21 2kt1A14 GLY 42 HA2 -0.02 0.05 0.26 -0.51 4.01 3.78 2kt1A14 GLY 42 HA3 -0.03 0.06 0.53 -0.51 4.01 4.06 2kt1A14 VAL 43 H -0.06 0.53 0.04 -0.55 8.24 8.20 2kt1A14 VAL 43 HA -0.07 0.15 0.77 -0.75 4.13 4.23 2kt1A14 VAL 43 HB -0.07 -0.04 0.03 -0.04 2.12 2.00 2kt1A14 VAL 43 HG13 -0.11 -0.02 -0.19 -0.04 0.97 0.61 2kt1A14 VAL 43 HG23 -0.15 0.03 -0.19 -0.04 0.95 0.60 2kt1A14 ALA 44 H -0.05 0.21 0.10 -0.55 8.40 8.12 2kt1A14 ALA 44 HA -0.01 0.12 0.73 -0.75 4.34 4.42 2kt1A14 ALA 44 HB3 -0.02 0.03 0.02 -0.04 1.41 1.40 2kt1A14 GLU 45 H 0.01 0.16 0.11 -0.55 8.60 8.33 2kt1A14 GLU 45 HA -0.05 -0.09 0.25 -0.75 4.29 3.65 2kt1A14 GLU 45 HB2 0.11 0.04 0.13 -0.04 2.09 2.33 2kt1A14 GLU 45 HB3 0.05 0.03 0.15 -0.04 1.99 2.17 2kt1A14 GLU 45 HG2 0.08 0.03 -0.19 -0.04 2.34 2.22 2kt1A14 GLU 45 HG3 0.29 -0.04 0.00 -0.04 2.34 2.55 2kt1A14 GLY 46 H -0.21 -0.04 0.19 -0.55 8.43 7.83 2kt1A14 GLY 46 HA2 -0.13 0.02 0.35 -0.51 4.01 3.74 2kt1A14 GLY 46 HA3 -0.08 0.25 0.72 -0.51 4.01 4.40 2kt1A14 GLY 47 H -0.16 0.27 0.17 -0.55 8.43 8.16 2kt1A14 GLY 47 HA2 -0.13 0.23 0.79 -0.51 4.01 4.39 2kt1A14 GLY 47 HA3 -0.13 0.12 0.28 -0.51 4.01 3.77 2kt1A14 GLU 48 H -0.27 0.04 0.03 -0.55 8.60 7.85 2kt1A14 GLU 48 HA -0.17 0.15 0.25 -0.75 4.29 3.76 2kt1A14 GLU 48 HB2 -0.11 0.06 -0.05 -0.04 2.09 1.95 2kt1A14 GLU 48 HB3 -0.23 0.03 -0.00 -0.04 1.99 1.75 2kt1A14 GLU 48 HG2 -1.11 0.09 -0.34 -0.04 2.34 0.95 2kt1A14 GLU 48 HG3 -1.32 0.06 -0.12 -0.04 2.34 0.92 2kt1A14 ARG 49 H -0.54 -0.04 -0.65 -0.55 8.46 6.67 2kt1A14 ARG 49 HA -1.79 0.04 0.28 -0.75 4.34 2.12 2kt1A14 ARG 49 HB2 -0.30 0.13 -0.16 -0.04 1.90 1.53 2kt1A14 ARG 49 HB3 -0.30 0.04 -0.01 -0.04 1.80 1.48 2kt1A14 ARG 49 HG2 -0.82 0.03 -0.07 -0.04 1.67 0.77 2kt1A14 ARG 49 HG3 -0.51 -0.21 -0.11 -0.04 1.67 0.80 2kt1A14 ARG 49 HD2 -0.07 -0.02 -0.03 -0.04 3.22 3.05 2kt1A14 ARG 49 HD3 -0.13 0.09 -0.01 -0.04 3.22 3.13 2kt1A14 CYS 50 H -0.22 0.43 -0.66 -0.55 8.50 7.50 2kt1A14 CYS 50 HA -0.04 0.20 0.89 -0.75 4.58 4.88 2kt1A14 CYS 50 HB2 -0.06 -0.12 0.10 -0.04 2.97 2.85 2kt1A14 CYS 50 HB3 -0.07 0.04 -0.01 -0.04 2.97 2.89 2kt1A14 PRO 51 HA -0.14 0.05 0.28 -0.51 4.44 4.12 2kt1A14 PRO 51 HB2 -0.04 0.34 0.04 -0.04 2.28 2.58 2kt1A14 PRO 51 HB3 -0.25 -0.06 0.00 -0.04 2.02 1.67 2kt1A14 PRO 51 HG2 0.20 0.06 -0.12 -0.04 2.03 2.13 2kt1A14 PRO 51 HG3 0.29 0.07 -0.07 -0.04 2.03 2.28 2kt1A14 PRO 51 HD2 0.06 0.07 0.16 -0.04 3.68 3.94 2kt1A14 PRO 51 HD3 0.07 0.30 -0.46 -0.04 3.65 3.53 2kt1A14 GLN 52 H -0.04 0.22 -0.22 -0.55 8.47 7.88 2kt1A14 GLN 52 HA -0.08 -0.03 0.15 -0.75 4.36 3.66 2kt1A14 GLN 52 HB2 -0.04 0.12 0.06 -0.04 2.15 2.25 2kt1A14 GLN 52 HB3 -0.04 -0.01 -0.02 -0.04 2.02 1.91 2kt1A14 GLN 52 HG2 -0.05 0.02 -0.10 -0.04 2.40 2.23 2kt1A14 GLN 52 HG3 -0.09 -0.06 0.07 -0.04 2.39 2.26 2kt1A14 GLN 52 HE21 -0.05 -0.01 -0.02 -0.04 6.97 6.85 2kt1A14 GLN 52 HE22 -0.03 -0.00 -0.01 -0.04 7.69 7.61 2kt1A14 SER 53 H -0.06 0.15 -0.47 -0.55 8.46 7.54 2kt1A14 SER 53 HA -0.04 0.06 0.46 -0.75 4.49 4.21 2kt1A14 SER 53 HB2 -0.05 -0.08 0.06 -0.04 3.95 3.84 2kt1A14 SER 53 HB3 -0.07 0.21 0.11 -0.04 3.93 4.13 2kt1A14 VAL 54 H -0.10 0.31 -0.15 -0.55 8.24 7.76 2kt1A14 VAL 54 HA -0.12 0.06 0.46 -0.75 4.13 3.77 2kt1A14 VAL 54 HB -0.19 0.04 -0.01 -0.04 2.12 1.91 2kt1A14 VAL 54 HG13 -0.32 -0.01 -0.12 -0.04 0.97 0.49 2kt1A14 VAL 54 HG23 -0.14 0.03 -0.13 -0.04 0.95 0.66 2kt1A14 GLY 55 H -0.10 0.52 -0.21 -0.55 8.43 8.10 2kt1A14 GLY 55 HA2 -0.02 -0.01 0.31 -0.51 4.01 3.78 2kt1A14 GLY 55 HA3 0.09 0.16 0.55 -0.51 4.01 4.30 2kt1A14 TRP 56 H -0.02 0.48 0.00 -0.55 7.97 7.88 2kt1A14 TRP 56 HA -0.19 0.18 0.91 -0.75 4.62 4.76 2kt1A14 TRP 56 HB2 -0.10 -0.01 -0.11 -0.04 3.23 2.97 2kt1A14 TRP 56 HB3 -0.08 -0.03 -0.11 -0.04 3.23 2.97 2kt1A14 TRP 56 HD1 -0.07 0.01 0.13 -0.04 7.22 7.25 2kt1A14 TRP 56 HE1 -0.04 0.03 0.06 -0.04 10.20 10.20 2kt1A14 TRP 56 HE3 -0.07 -0.03 -0.23 -0.04 7.59 7.22 2kt1A14 TRP 56 HZ2 -0.03 0.03 0.02 -0.04 7.44 7.42 2kt1A14 TRP 56 HZ3 -0.03 -0.03 -0.07 -0.04 7.13 6.96 2kt1A14 TRP 56 HH2 -0.02 0.00 -0.03 -0.04 7.19 7.10 2kt1A14 MET 57 H -0.39 0.57 0.15 -0.55 8.47 8.25 2kt1A14 MET 57 HA -0.49 0.20 0.70 -0.75 4.52 4.18 2kt1A14 MET 57 HB2 -0.97 -0.04 -0.08 -0.04 2.15 1.02 2kt1A14 MET 57 HB3 -0.36 0.02 -0.11 -0.04 2.03 1.54 2kt1A14 MET 57 HG2 -0.40 0.09 -0.10 -0.04 2.63 2.18 2kt1A14 MET 57 HG3 -0.43 -0.07 -0.73 -0.04 2.56 1.29 2kt1A14 MET 57 HE3 -0.60 -0.01 -0.14 -0.04 2.10 1.31 2kt1A14 PRO 58 HA 0.05 0.20 0.86 -0.51 4.44 5.04 2kt1A14 PRO 58 HB2 0.07 0.01 -0.00 -0.04 2.28 2.32 2kt1A14 PRO 58 HB3 0.09 0.02 0.03 -0.04 2.02 2.12 2kt1A14 PRO 58 HG2 -0.01 -0.06 0.14 -0.04 2.03 2.05 2kt1A14 PRO 58 HG3 0.00 0.07 0.05 -0.04 2.03 2.11 2kt1A14 PRO 58 HD2 -0.22 0.08 0.16 -0.04 3.68 3.67 2kt1A14 PRO 58 HD3 -0.22 0.17 0.07 -0.04 3.65 3.63 2kt1A14 GLY 59 H 0.26 0.65 0.41 -0.55 8.43 9.20 2kt1A14 GLY 59 HA2 0.21 0.05 0.73 -0.51 4.01 4.49 2kt1A14 GLY 59 HA3 0.49 0.00 0.13 -0.51 4.01 4.13 2kt1A14 LEU 60 H 0.15 0.68 0.28 -0.55 8.37 8.93 2kt1A14 LEU 60 HA 0.09 0.23 0.98 -0.75 4.35 4.89 2kt1A14 LEU 60 HB2 0.07 -0.05 0.04 -0.04 1.64 1.66 2kt1A14 LEU 60 HB3 0.06 -0.01 0.20 -0.04 1.64 1.86 2kt1A14 LEU 60 HG 0.03 0.07 -0.25 -0.04 1.64 1.46 2kt1A14 LEU 60 HD13 0.04 0.06 -0.14 -0.04 0.93 0.84 2kt1A14 LEU 60 HD23 0.03 -0.02 -0.04 -0.04 0.89 0.82 2kt1A14 ASN 61 H 0.04 0.49 0.20 -0.55 8.53 8.72 2kt1A14 ASN 61 HA -0.02 0.18 0.83 -0.75 4.76 4.99 2kt1A14 ASN 61 HB2 -0.00 0.08 -0.04 -0.04 2.88 2.88 2kt1A14 ASN 61 HB3 0.02 -0.04 0.09 -0.04 2.79 2.82 2kt1A14 ASN 61 HD21 -0.06 0.09 -0.06 -0.04 7.03 6.95 2kt1A14 ASN 61 HD22 -0.02 -0.08 0.06 -0.04 7.74 7.65 2kt1A14 GLU 62 H -0.01 0.21 0.23 -0.55 8.60 8.48 2kt1A14 GLU 62 HA 0.00 0.22 0.73 -0.75 4.29 4.48 2kt1A14 GLU 62 HB2 -0.01 -0.10 0.20 -0.04 2.09 2.14 2kt1A14 GLU 62 HB3 -0.01 0.04 0.08 -0.04 1.99 2.06 2kt1A14 GLU 62 HG2 -0.00 0.01 -0.03 -0.04 2.34 2.28 2kt1A14 GLU 62 HG3 -0.01 0.28 0.13 -0.04 2.34 2.70 2kt1A14 ARG 63 H -0.01 -0.01 0.09 -0.55 8.46 7.98 2kt1A14 ARG 63 HA -0.00 0.17 0.48 -0.75 4.34 4.23 2kt1A14 ARG 63 HB2 -0.01 -0.05 0.14 -0.04 1.90 1.95 2kt1A14 ARG 63 HB3 -0.00 -0.04 0.10 -0.04 1.80 1.81 2kt1A14 ARG 63 HG2 -0.01 0.04 0.01 -0.04 1.67 1.67 2kt1A14 ARG 63 HG3 -0.01 -0.00 -0.04 -0.04 1.67 1.59 2kt1A14 ARG 63 HD2 -0.00 0.01 -0.07 -0.04 3.22 3.12 2kt1A14 ARG 63 HD3 -0.00 -0.01 -0.20 -0.04 3.22 2.97 2kt1A14 THR 64 H 0.00 0.05 -0.02 -0.55 8.28 7.76 2kt1A14 THR 64 HA 0.01 0.15 0.45 -0.75 4.39 4.24 2kt1A14 THR 64 HB 0.01 0.03 0.07 -0.04 4.32 4.40 2kt1A14 THR 64 HG23 0.01 -0.01 0.01 -0.04 1.22 1.19 2kt1A14 ARG 65 H 0.01 -0.10 -0.74 -0.55 8.46 7.08 2kt1A14 ARG 65 HA 0.02 0.37 0.30 -0.75 4.34 4.27 2kt1A14 ARG 65 HB2 0.01 0.16 -0.03 -0.04 1.90 2.00 2kt1A14 ARG 65 HB3 0.01 -0.08 0.19 -0.04 1.80 1.88 2kt1A14 ARG 65 HG2 0.01 0.01 0.04 -0.04 1.67 1.68 2kt1A14 ARG 65 HG3 0.01 0.15 -0.37 -0.04 1.67 1.42 2kt1A14 ARG 65 HD2 0.00 -0.00 0.01 -0.04 3.22 3.19 2kt1A14 ARG 65 HD3 0.01 -0.02 -0.04 -0.04 3.22 3.12 2kt1A14 GLN 66 H 0.03 -0.13 -0.47 -0.55 8.47 7.36 2kt1A14 GLN 66 HA 0.03 0.20 0.74 -0.75 4.36 4.57 2kt1A14 GLN 66 HB2 0.04 -0.10 -0.05 -0.04 2.15 2.00 2kt1A14 GLN 66 HB3 0.04 0.07 0.07 -0.04 2.02 2.15 2kt1A14 GLN 66 HG2 0.02 0.10 -0.16 -0.04 2.40 2.32 2kt1A14 GLN 66 HG3 0.02 -0.03 -0.01 -0.04 2.39 2.33 2kt1A14 GLN 66 HE21 0.01 0.15 0.01 -0.04 6.97 7.11 2kt1A14 GLN 66 HE22 0.01 -0.06 -0.02 -0.04 7.69 7.58 2kt1A14 ARG 67 H 0.05 0.18 0.18 -0.55 8.46 8.32 2kt1A14 ARG 67 HA 0.08 0.19 0.95 -0.75 4.34 4.81 2kt1A14 ARG 67 HB2 0.05 -0.00 0.15 -0.04 1.90 2.06 2kt1A14 ARG 67 HB3 0.07 0.01 0.02 -0.04 1.80 1.86 2kt1A14 ARG 67 HG2 0.05 0.01 -0.08 -0.04 1.67 1.61 2kt1A14 ARG 67 HG3 0.04 -0.01 -0.09 -0.04 1.67 1.57 2kt1A14 ARG 67 HD2 0.03 0.01 -0.01 -0.04 3.22 3.21 2kt1A14 ARG 67 HD3 0.04 0.00 0.02 -0.04 3.22 3.24 2kt1A14 GLY 68 H 0.14 0.47 0.29 -0.55 8.43 8.79 2kt1A14 GLY 68 HA2 0.10 0.16 0.48 -0.51 4.01 4.25 2kt1A14 GLY 68 HA3 0.13 0.08 0.12 -0.51 4.01 3.83 2kt1A14 ASP 69 H 0.14 0.29 0.07 -0.55 8.40 8.36 2kt1A14 ASP 69 HA 0.09 0.15 0.90 -0.75 4.63 5.01 2kt1A14 ASP 69 HB2 0.15 0.00 -0.08 -0.04 2.71 2.74 2kt1A14 ASP 69 HB3 0.13 0.01 0.09 -0.04 2.70 2.89 2kt1A14 PHE 70 H -0.20 0.61 0.22 -0.55 8.34 8.42 2kt1A14 PHE 70 HA 0.14 0.15 0.67 -0.75 4.62 4.82 2kt1A14 PHE 70 HB2 0.07 0.05 -0.08 -0.04 3.15 3.16 2kt1A14 PHE 70 HB3 0.11 -0.03 -0.14 -0.04 3.06 2.95 2kt1A14 PHE 70 HD2 0.01 0.02 -0.36 -0.04 7.28 6.91 2kt1A14 PHE 70 HE2 -0.14 -0.05 -0.29 -0.04 7.38 6.86 2kt1A14 PHE 70 HZ -0.04 -0.01 -0.24 -0.04 7.32 6.99 2kt1A14 PRO 71 HA -0.01 0.34 0.77 -0.51 4.44 5.03 2kt1A14 PRO 71 HB2 -0.16 -0.07 0.10 -0.04 2.28 2.11 2kt1A14 PRO 71 HB3 -0.04 0.07 0.12 -0.04 2.02 2.13 2kt1A14 PRO 71 HG2 -0.14 -0.03 0.17 -0.04 2.03 1.98 2kt1A14 PRO 71 HG3 -0.46 0.05 0.10 -0.04 2.03 1.68 2kt1A14 PRO 71 HD2 0.14 0.09 0.20 -0.04 3.68 4.07 2kt1A14 PRO 71 HD3 0.15 0.17 0.21 -0.04 3.65 4.14 2kt1A14 GLY 72 H -0.09 0.75 0.22 -0.55 8.43 8.76 2kt1A14 GLY 72 HA2 0.08 0.01 0.11 -0.51 4.01 3.70 2kt1A14 GLY 72 HA3 -0.11 0.12 0.07 -0.51 4.01 3.58 2kt1A14 THR 73 H -0.13 0.11 -0.61 -0.55 8.28 7.11 2kt1A14 THR 73 HA -0.12 0.02 0.38 -0.75 4.39 3.92 2kt1A14 THR 73 HB -0.20 0.04 0.09 -0.04 4.32 4.20 2kt1A14 THR 73 HG23 -0.70 -0.00 -0.05 -0.04 1.22 0.43 2kt1A14 TYR 74 H -0.08 0.43 -0.22 -0.55 8.29 7.86 2kt1A14 TYR 74 HA 0.04 0.12 0.51 -0.75 4.56 4.46 2kt1A14 TYR 74 HB2 -0.08 0.09 0.06 -0.04 3.06 3.09 2kt1A14 TYR 74 HB3 0.03 -0.06 0.16 -0.04 2.98 3.07 2kt1A14 TYR 74 HD2 -0.28 0.03 0.01 -0.04 7.15 6.87 2kt1A14 TYR 74 HE2 -0.31 -0.01 -0.02 -0.04 6.85 6.47 2kt1A14 VAL 75 H 0.06 0.43 -0.51 -0.55 8.24 7.67 2kt1A14 VAL 75 HA 0.08 0.22 1.03 -0.75 4.13 4.71 2kt1A14 VAL 75 HB 0.09 -0.09 -0.15 -0.04 2.12 1.93 2kt1A14 VAL 75 HG13 -0.06 -0.03 -0.36 -0.04 0.97 0.48 2kt1A14 VAL 75 HG23 0.03 -0.01 -0.15 -0.04 0.95 0.78 2kt1A14 GLU 76 H 0.09 0.63 0.32 -0.55 8.60 9.09 2kt1A14 GLU 76 HA 0.14 0.17 0.96 -0.75 4.29 4.81 2kt1A14 GLU 76 HB2 0.08 0.07 0.07 -0.04 2.09 2.27 2kt1A14 GLU 76 HB3 0.07 0.01 0.06 -0.04 1.99 2.08 2kt1A14 GLU 76 HG2 0.04 0.12 0.11 -0.04 2.34 2.57 2kt1A14 GLU 76 HG3 0.04 -0.05 -0.08 -0.04 2.34 2.21 2kt1A14 PHE 77 H 0.28 0.17 0.18 -0.55 8.34 8.42 2kt1A14 PHE 77 HA 0.23 0.02 0.61 -0.75 4.62 4.72 2kt1A14 PHE 77 HB2 0.19 0.06 0.07 -0.04 3.15 3.42 2kt1A14 PHE 77 HB3 0.06 0.07 0.21 -0.04 3.06 3.35 2kt1A14 PHE 77 HD2 -0.12 0.02 -0.12 -0.04 7.28 7.02 2kt1A14 PHE 77 HE2 -0.13 -0.02 -0.16 -0.04 7.38 7.03 2kt1A14 PHE 77 HZ 0.06 -0.03 -0.15 -0.04 7.32 7.16 2kt1A14 LEU 78 H -0.46 0.42 0.37 -0.55 8.37 8.15 2kt1A14 LEU 78 HA -0.25 0.13 0.82 -0.75 4.35 4.30 2kt1A14 LEU 78 HB2 -0.28 0.09 0.20 -0.04 1.64 1.61 2kt1A14 LEU 78 HB3 -0.19 -0.03 0.00 -0.04 1.64 1.39 2kt1A14 LEU 78 HG -0.08 -0.02 -0.22 -0.04 1.64 1.27 2kt1A14 LEU 78 HD13 -0.07 -0.02 -0.20 -0.04 0.93 0.60 2kt1A14 LEU 78 HD23 -0.06 0.00 -0.16 -0.04 0.89 0.63 2kt1A14 GLY 79 H -0.63 0.31 0.32 -0.55 8.43 7.88 2kt1A14 GLY 79 HA2 -0.47 -0.01 0.31 -0.51 4.01 3.33 2kt1A14 GLY 79 HA3 -0.22 0.14 0.50 -0.51 4.01 3.93 2kt1A14 PRO 80 HA -0.33 0.22 0.67 -0.51 4.44 4.49 2kt1A14 PRO 80 HB2 -0.19 0.10 0.13 -0.04 2.28 2.27 2kt1A14 PRO 80 HB3 -0.35 0.01 0.15 -0.04 2.02 1.78 2kt1A14 PRO 80 HG2 -0.02 0.04 -0.06 -0.04 2.03 1.95 2kt1A14 PRO 80 HG3 0.08 0.01 0.05 -0.04 2.03 2.12 2kt1A14 PRO 80 HD2 0.03 0.13 0.19 -0.04 3.68 3.98 2kt1A14 PRO 80 HD3 0.29 0.08 0.16 -0.04 3.65 4.14 2kt1A14 LEU 81 H -0.21 0.24 0.12 -0.55 8.37 7.98 2kt1A14 LEU 81 HA -0.08 0.16 0.86 -0.75 4.35 4.53 2kt1A14 LEU 81 HB2 -0.10 0.09 -0.05 -0.04 1.64 1.54 2kt1A14 LEU 81 HB3 -0.07 0.15 -0.01 -0.04 1.64 1.67 2kt1A14 LEU 81 HG -0.08 0.01 -0.19 -0.04 1.64 1.34 2kt1A14 LEU 81 HD13 -0.13 -0.05 -0.37 -0.04 0.93 0.34 2kt1A14 LEU 81 HD23 -0.05 0.02 -0.03 -0.04 0.89 0.79 2kt1A14 GLU 82 H -0.05 0.20 0.03 -0.55 8.60 8.23 2kt1A14 GLU 82 HA -0.05 0.24 0.68 -0.75 4.29 4.41 2kt1A14 GLU 82 HB2 -0.03 0.02 0.05 -0.04 2.09 2.09 2kt1A14 GLU 82 HB3 -0.03 0.02 -0.09 -0.04 1.99 1.85 2kt1A14 GLU 82 HG2 -0.03 -0.00 0.08 -0.04 2.34 2.34 2kt1A14 GLU 82 HG3 -0.03 0.00 0.02 -0.04 2.34 2.29