============================================================================= 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 3.229 1.364 10.887 -99.200 -91.000 TYR 9 0.840 2.070 2.328 3.907 -99.200 -91.000 TYR 13 0.840 0.641 10.734 -10.218 -99.200 -91.000 PHE 15 1.000 0.055 4.420 -10.531 -99.200 -91.000 TRP 56 1.040 4.113 -4.330 -7.670 -99.200 -91.000 TRP6 56 1.020 3.617 -5.837 -9.417 -99.200 -91.000 PHE 70 1.000 -1.098 -0.957 -1.464 -99.200 -91.000 TYR 74 0.840 3.538 3.063 -9.595 -99.200 -91.000 PHE 77 1.000 4.530 6.055 7.240 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2kt1A19 MET 1 HA -0.01 -0.11 0.21 -0.75 4.52 3.86 2kt1A19 MET 1 HB2 -0.02 -0.04 0.03 -0.04 2.15 2.09 2kt1A19 MET 1 HB3 -0.02 -0.00 0.05 -0.04 2.03 2.02 2kt1A19 MET 1 HG2 -0.02 -0.04 -0.09 -0.04 2.63 2.43 2kt1A19 MET 1 HG3 -0.02 0.05 -0.37 -0.04 2.56 2.18 2kt1A19 MET 1 HE3 -0.02 0.00 -0.06 -0.04 2.10 1.98 2kt1A19 ALA 2 H -0.01 0.07 0.10 -0.55 8.40 8.02 2kt1A19 ALA 2 HA -0.01 0.18 0.82 -0.75 4.34 4.58 2kt1A19 ALA 2 HB3 -0.01 -0.01 0.05 -0.04 1.41 1.41 2kt1A19 GLY 3 H -0.01 0.22 0.18 -0.55 8.43 8.27 2kt1A19 GLY 3 HA2 -0.01 -0.03 0.26 -0.51 4.01 3.72 2kt1A19 GLY 3 HA3 -0.01 0.17 0.65 -0.51 4.01 4.31 2kt1A19 PRO 4 HA 0.01 0.12 0.64 -0.51 4.44 4.70 2kt1A19 PRO 4 HB2 0.01 -0.21 0.05 -0.04 2.28 2.10 2kt1A19 PRO 4 HB3 0.02 0.05 0.05 -0.04 2.02 2.10 2kt1A19 PRO 4 HG2 -0.02 0.08 -0.14 -0.04 2.03 1.91 2kt1A19 PRO 4 HG3 -0.00 0.04 -0.02 -0.04 2.03 2.01 2kt1A19 PRO 4 HD2 -0.02 0.18 0.08 -0.04 3.68 3.88 2kt1A19 PRO 4 HD3 -0.01 0.12 0.15 -0.04 3.65 3.86 2kt1A19 GLU 5 H 0.01 -0.08 0.17 -0.55 8.60 8.15 2kt1A19 GLU 5 HA -0.04 0.35 0.90 -0.75 4.29 4.75 2kt1A19 GLU 5 HB2 -0.01 0.04 0.10 -0.04 2.09 2.17 2kt1A19 GLU 5 HB3 -0.00 0.09 -0.01 -0.04 1.99 2.03 2kt1A19 GLU 5 HG2 0.03 0.00 0.13 -0.04 2.34 2.46 2kt1A19 GLU 5 HG3 0.04 -0.19 0.03 -0.04 2.34 2.17 2kt1A19 GLY 6 H 0.02 -0.12 0.07 -0.55 8.43 7.85 2kt1A19 GLY 6 HA2 0.03 -0.02 0.44 -0.51 4.01 3.96 2kt1A19 GLY 6 HA3 0.15 0.23 0.45 -0.51 4.01 4.32 2kt1A19 PHE 7 H 0.42 0.47 0.30 -0.55 8.34 8.99 2kt1A19 PHE 7 HA -0.02 0.20 0.92 -0.75 4.62 4.96 2kt1A19 PHE 7 HB2 0.10 -0.01 0.05 -0.04 3.15 3.24 2kt1A19 PHE 7 HB3 0.04 0.05 -0.01 -0.04 3.06 3.11 2kt1A19 PHE 7 HD2 0.22 -0.03 -0.07 -0.04 7.28 7.36 2kt1A19 PHE 7 HE2 0.09 -0.02 -0.01 -0.04 7.38 7.40 2kt1A19 PHE 7 HZ 0.05 0.01 -0.01 -0.04 7.32 7.32 2kt1A19 GLN 8 H -0.15 0.63 0.31 -0.55 8.47 8.72 2kt1A19 GLN 8 HA -0.00 0.17 0.95 -0.75 4.36 4.72 2kt1A19 GLN 8 HB2 -0.16 0.20 0.14 -0.04 2.15 2.29 2kt1A19 GLN 8 HB3 -0.12 -0.01 -0.03 -0.04 2.02 1.82 2kt1A19 GLN 8 HG2 -0.02 -0.03 -0.15 -0.04 2.40 2.16 2kt1A19 GLN 8 HG3 -0.05 -0.04 -0.23 -0.04 2.39 2.04 2kt1A19 GLN 8 HE21 -0.03 -0.04 -0.10 -0.04 6.97 6.76 2kt1A19 GLN 8 HE22 -0.04 0.01 -0.07 -0.04 7.69 7.55 2kt1A19 TYR 9 H 0.18 0.72 0.41 -0.55 8.29 9.05 2kt1A19 TYR 9 HA 0.05 0.14 1.10 -0.75 4.56 5.08 2kt1A19 TYR 9 HB2 0.13 -0.03 0.04 -0.04 3.06 3.15 2kt1A19 TYR 9 HB3 0.16 0.06 0.05 -0.04 2.98 3.21 2kt1A19 TYR 9 HD2 0.24 0.13 -0.10 -0.04 7.15 7.39 2kt1A19 TYR 9 HE2 0.21 0.04 -0.03 -0.04 6.85 7.02 2kt1A19 ARG 10 H 0.19 0.61 0.32 -0.55 8.46 9.02 2kt1A19 ARG 10 HA 0.03 0.33 1.12 -0.75 4.34 5.06 2kt1A19 ARG 10 HB2 0.00 -0.00 -0.21 -0.04 1.90 1.65 2kt1A19 ARG 10 HB3 0.04 -0.05 0.04 -0.04 1.80 1.78 2kt1A19 ARG 10 HG2 0.00 0.01 -0.33 -0.04 1.67 1.31 2kt1A19 ARG 10 HG3 -0.01 0.05 -0.20 -0.04 1.67 1.48 2kt1A19 ARG 10 HD2 -0.02 -0.00 -0.12 -0.04 3.22 3.04 2kt1A19 ARG 10 HD3 -0.01 -0.03 -0.10 -0.04 3.22 3.04 2kt1A19 ALA 11 H 0.01 0.69 0.31 -0.55 8.40 8.86 2kt1A19 ALA 11 HA 0.12 0.09 0.63 -0.75 4.34 4.42 2kt1A19 ALA 11 HB3 0.06 0.03 0.09 -0.04 1.41 1.54 2kt1A19 LEU 12 H 0.11 0.37 0.28 -0.55 8.37 8.58 2kt1A19 LEU 12 HA -0.17 0.06 0.53 -0.75 4.35 4.02 2kt1A19 LEU 12 HB2 -0.21 0.01 0.19 -0.04 1.64 1.59 2kt1A19 LEU 12 HB3 -0.67 -0.03 0.05 -0.04 1.64 0.95 2kt1A19 LEU 12 HG 0.04 0.20 0.19 -0.04 1.64 2.03 2kt1A19 LEU 12 HD13 0.05 -0.01 -0.01 -0.04 0.93 0.92 2kt1A19 LEU 12 HD23 -0.05 -0.02 -0.07 -0.04 0.89 0.71 2kt1A19 TYR 13 H 0.21 0.12 0.05 -0.55 8.29 8.11 2kt1A19 TYR 13 HA -0.11 0.22 0.83 -0.75 4.56 4.74 2kt1A19 TYR 13 HB2 -0.60 -0.03 -0.07 -0.04 3.06 2.32 2kt1A19 TYR 13 HB3 -0.38 0.08 0.06 -0.04 2.98 2.69 2kt1A19 TYR 13 HD2 0.11 0.02 -0.02 -0.04 7.15 7.22 2kt1A19 TYR 13 HE2 0.07 0.01 -0.03 -0.04 6.85 6.86 2kt1A19 PRO 14 HA -0.09 0.34 0.50 -0.51 4.44 4.68 2kt1A19 PRO 14 HB2 -0.12 0.01 0.04 -0.04 2.28 2.17 2kt1A19 PRO 14 HB3 -0.08 -0.01 0.17 -0.04 2.02 2.07 2kt1A19 PRO 14 HG2 -0.20 0.01 0.16 -0.04 2.03 1.96 2kt1A19 PRO 14 HG3 -0.09 0.04 0.11 -0.04 2.03 2.05 2kt1A19 PRO 14 HD2 -0.10 0.08 0.21 -0.04 3.68 3.82 2kt1A19 PRO 14 HD3 -0.04 0.14 0.18 -0.04 3.65 3.89 2kt1A19 PHE 15 H 0.05 0.39 0.31 -0.55 8.34 8.54 2kt1A19 PHE 15 HA -0.08 0.17 0.92 -0.75 4.62 4.87 2kt1A19 PHE 15 HB2 -0.03 -0.04 0.09 -0.04 3.15 3.12 2kt1A19 PHE 15 HB3 -0.09 0.03 0.03 -0.04 3.06 2.98 2kt1A19 PHE 15 HD2 -0.16 0.02 -0.04 -0.04 7.28 7.06 2kt1A19 PHE 15 HE2 -0.26 -0.08 -0.02 -0.04 7.38 6.98 2kt1A19 PHE 15 HZ -0.16 0.00 -0.05 -0.04 7.32 7.07 2kt1A19 ARG 16 H 0.08 0.20 0.16 -0.55 8.46 8.35 2kt1A19 ARG 16 HA 0.01 0.12 0.88 -0.75 4.34 4.60 2kt1A19 ARG 16 HB2 0.00 -0.02 -0.04 -0.04 1.90 1.81 2kt1A19 ARG 16 HB3 -0.00 0.13 -0.02 -0.04 1.80 1.87 2kt1A19 ARG 16 HG2 -0.00 0.06 -0.19 -0.04 1.67 1.49 2kt1A19 ARG 16 HG3 -0.02 0.00 -0.20 -0.04 1.67 1.41 2kt1A19 ARG 16 HD2 -0.01 -0.00 -0.07 -0.04 3.22 3.09 2kt1A19 ARG 16 HD3 -0.01 0.01 -0.07 -0.04 3.22 3.11 2kt1A19 ARG 17 H -0.02 0.16 0.04 -0.55 8.46 8.10 2kt1A19 ARG 17 HA -0.04 0.17 0.87 -0.75 4.34 4.59 2kt1A19 ARG 17 HB2 -0.11 0.02 0.01 -0.04 1.90 1.78 2kt1A19 ARG 17 HB3 -0.04 0.15 0.03 -0.04 1.80 1.90 2kt1A19 ARG 17 HG2 -0.05 -0.00 0.08 -0.04 1.67 1.66 2kt1A19 ARG 17 HG3 -0.02 -0.31 0.08 -0.04 1.67 1.38 2kt1A19 ARG 17 HD2 -0.01 -0.00 0.07 -0.04 3.22 3.24 2kt1A19 ARG 17 HD3 -0.09 0.04 0.16 -0.04 3.22 3.29 2kt1A19 GLU 18 H 0.00 0.14 0.11 -0.55 8.60 8.31 2kt1A19 GLU 18 HA 0.01 0.09 0.39 -0.75 4.29 4.03 2kt1A19 GLU 18 HB2 0.03 -0.05 0.12 -0.04 2.09 2.15 2kt1A19 GLU 18 HB3 0.02 0.03 0.03 -0.04 1.99 2.03 2kt1A19 GLU 18 HG2 0.04 0.02 0.04 -0.04 2.34 2.39 2kt1A19 GLU 18 HG3 0.02 0.03 0.03 -0.04 2.34 2.39 2kt1A19 ARG 19 H 0.01 0.01 -0.14 -0.55 8.46 7.78 2kt1A19 ARG 19 HA 0.01 0.30 0.90 -0.75 4.34 4.79 2kt1A19 ARG 19 HB2 0.01 -0.07 0.06 -0.04 1.90 1.86 2kt1A19 ARG 19 HB3 0.01 0.05 0.05 -0.04 1.80 1.88 2kt1A19 ARG 19 HG2 0.01 0.11 -0.08 -0.04 1.67 1.67 2kt1A19 ARG 19 HG3 0.02 -0.11 -0.22 -0.04 1.67 1.31 2kt1A19 ARG 19 HD2 0.03 -0.03 -0.01 -0.04 3.22 3.16 2kt1A19 ARG 19 HD3 0.02 0.03 -0.01 -0.04 3.22 3.21 2kt1A19 PRO 20 HA -0.00 0.09 0.17 -0.51 4.44 4.19 2kt1A19 PRO 20 HB2 0.00 0.06 0.09 -0.04 2.28 2.40 2kt1A19 PRO 20 HB3 0.00 0.03 0.09 -0.04 2.02 2.10 2kt1A19 PRO 20 HG2 0.01 0.03 -0.02 -0.04 2.03 2.01 2kt1A19 PRO 20 HG3 0.00 0.05 0.06 -0.04 2.03 2.10 2kt1A19 PRO 20 HD2 0.01 0.06 0.17 -0.04 3.68 3.88 2kt1A19 PRO 20 HD3 0.00 0.20 0.19 -0.04 3.65 4.00 2kt1A19 GLU 21 H 0.00 0.01 -0.90 -0.55 8.60 7.18 2kt1A19 GLU 21 HA 0.01 0.07 0.40 -0.75 4.29 4.02 2kt1A19 GLU 21 HB2 0.02 -0.03 0.03 -0.04 2.09 2.06 2kt1A19 GLU 21 HB3 0.01 -0.04 0.03 -0.04 1.99 1.96 2kt1A19 GLU 21 HG2 0.03 -0.02 -0.03 -0.04 2.34 2.27 2kt1A19 GLU 21 HG3 0.02 0.01 -0.15 -0.04 2.34 2.18 2kt1A19 ASP 22 H -0.01 0.11 -0.12 -0.55 8.40 7.83 2kt1A19 ASP 22 HA -0.01 0.00 0.48 -0.75 4.63 4.35 2kt1A19 ASP 22 HB2 -0.08 -0.05 0.04 -0.04 2.71 2.58 2kt1A19 ASP 22 HB3 -0.10 0.22 0.24 -0.04 2.70 3.01 2kt1A19 LEU 23 H -0.01 0.67 0.14 -0.55 8.37 8.62 2kt1A19 LEU 23 HA 0.01 0.16 0.81 -0.75 4.35 4.58 2kt1A19 LEU 23 HB2 0.06 -0.11 -0.30 -0.04 1.64 1.25 2kt1A19 LEU 23 HB3 0.12 -0.01 -0.43 -0.04 1.64 1.29 2kt1A19 LEU 23 HG 0.00 0.20 -0.29 -0.04 1.64 1.51 2kt1A19 LEU 23 HD13 0.01 -0.03 -0.11 -0.04 0.93 0.76 2kt1A19 LEU 23 HD23 0.02 -0.06 -0.12 -0.04 0.89 0.69 2kt1A19 GLU 24 H 0.01 0.13 0.03 -0.55 8.60 8.22 2kt1A19 GLU 24 HA 0.02 0.11 0.46 -0.75 4.29 4.13 2kt1A19 GLU 24 HB2 0.00 -0.04 0.08 -0.04 2.09 2.09 2kt1A19 GLU 24 HB3 0.00 0.05 -0.09 -0.04 1.99 1.91 2kt1A19 GLU 24 HG2 -0.00 0.00 -0.00 -0.04 2.34 2.29 2kt1A19 GLU 24 HG3 0.01 0.17 0.18 -0.04 2.34 2.65 2kt1A19 LEU 25 H 0.08 0.67 0.37 -0.55 8.37 8.94 2kt1A19 LEU 25 HA 0.02 0.11 0.88 -0.75 4.35 4.61 2kt1A19 LEU 25 HB2 0.32 -0.11 0.22 -0.04 1.64 2.03 2kt1A19 LEU 25 HB3 0.19 0.07 0.04 -0.04 1.64 1.90 2kt1A19 LEU 25 HG 0.15 0.06 -0.14 -0.04 1.64 1.67 2kt1A19 LEU 25 HD13 0.25 -0.02 -0.07 -0.04 0.93 1.05 2kt1A19 LEU 25 HD23 -0.03 0.02 -0.13 -0.04 0.89 0.72 2kt1A19 LEU 26 H 0.00 0.13 0.09 -0.55 8.37 8.04 2kt1A19 LEU 26 HA -0.02 0.18 0.75 -0.75 4.35 4.50 2kt1A19 LEU 26 HB2 -0.02 -0.09 -0.07 -0.04 1.64 1.43 2kt1A19 LEU 26 HB3 -0.02 0.13 -0.08 -0.04 1.64 1.63 2kt1A19 LEU 26 HG -0.02 0.01 -0.10 -0.04 1.64 1.49 2kt1A19 LEU 26 HD13 -0.03 0.03 0.02 -0.04 0.93 0.91 2kt1A19 LEU 26 HD23 -0.01 -0.02 -0.49 -0.04 0.89 0.34 2kt1A19 PRO 27 HA -0.04 0.16 -0.04 -0.51 4.44 4.01 2kt1A19 PRO 27 HB2 -0.02 0.03 0.06 -0.04 2.28 2.30 2kt1A19 PRO 27 HB3 -0.01 0.06 0.15 -0.04 2.02 2.18 2kt1A19 PRO 27 HG2 -0.02 0.02 0.11 -0.04 2.03 2.11 2kt1A19 PRO 27 HG3 -0.02 0.03 0.10 -0.04 2.03 2.10 2kt1A19 PRO 27 HD2 -0.03 0.07 0.13 -0.04 3.68 3.81 2kt1A19 PRO 27 HD3 -0.04 0.11 0.08 -0.04 3.65 3.76 2kt1A19 GLY 28 H -0.04 0.70 0.34 -0.55 8.43 8.89 2kt1A19 GLY 28 HA2 -0.03 0.00 0.32 -0.51 4.01 3.80 2kt1A19 GLY 28 HA3 -0.03 0.09 0.65 -0.51 4.01 4.22 2kt1A19 ASP 29 H -0.02 0.36 0.07 -0.55 8.40 8.27 2kt1A19 ASP 29 HA -0.03 0.12 0.74 -0.75 4.63 4.71 2kt1A19 ASP 29 HB2 -0.03 0.08 0.17 -0.04 2.71 2.89 2kt1A19 ASP 29 HB3 -0.05 -0.07 -0.04 -0.04 2.70 2.50 2kt1A19 VAL 30 H -0.03 0.15 0.18 -0.55 8.24 7.99 2kt1A19 VAL 30 HA -0.01 0.35 1.05 -0.75 4.13 4.77 2kt1A19 VAL 30 HB -0.03 -0.07 0.16 -0.04 2.12 2.15 2kt1A19 VAL 30 HG13 -0.03 0.01 -0.10 -0.04 0.97 0.82 2kt1A19 VAL 30 HG23 -0.03 0.03 -0.04 -0.04 0.95 0.87 2kt1A19 LEU 31 H 0.01 0.73 0.28 -0.55 8.37 8.85 2kt1A19 LEU 31 HA -0.07 0.36 1.19 -0.75 4.35 5.08 2kt1A19 LEU 31 HB2 -0.26 -0.04 -0.04 -0.04 1.64 1.27 2kt1A19 LEU 31 HB3 -0.41 -0.02 -0.23 -0.04 1.64 0.95 2kt1A19 LEU 31 HG -0.24 -0.06 -0.19 -0.04 1.64 1.11 2kt1A19 LEU 31 HD13 -0.16 -0.03 -0.34 -0.04 0.93 0.35 2kt1A19 LEU 31 HD23 -1.01 0.02 -0.23 -0.04 0.89 -0.37 2kt1A19 VAL 32 H 0.03 0.50 0.32 -0.55 8.24 8.54 2kt1A19 VAL 32 HA 0.17 0.40 1.00 -0.75 4.13 4.94 2kt1A19 VAL 32 HB 0.05 -0.06 0.15 -0.04 2.12 2.22 2kt1A19 VAL 32 HG13 0.06 -0.01 -0.29 -0.04 0.97 0.69 2kt1A19 VAL 32 HG23 0.01 0.02 -0.10 -0.04 0.95 0.85 2kt1A19 VAL 33 H 0.41 0.64 0.31 -0.55 8.24 9.05 2kt1A19 VAL 33 HA 0.22 0.13 1.06 -0.75 4.13 4.79 2kt1A19 VAL 33 HB 0.52 -0.02 0.09 -0.04 2.12 2.67 2kt1A19 VAL 33 HG13 0.14 0.09 -0.10 -0.04 0.97 1.05 2kt1A19 VAL 33 HG23 0.32 0.02 -0.24 -0.04 0.95 1.01 2kt1A19 SER 34 H 0.14 0.26 0.20 -0.55 8.46 8.52 2kt1A19 SER 34 HA 0.12 -0.07 0.53 -0.75 4.49 4.32 2kt1A19 SER 34 HB2 0.09 0.05 0.20 -0.04 3.95 4.25 2kt1A19 SER 34 HB3 0.07 -0.03 0.11 -0.04 3.93 4.04 2kt1A19 ARG 35 H 0.14 0.19 0.18 -0.55 8.46 8.42 2kt1A19 ARG 35 HA 0.28 0.10 0.39 -0.75 4.34 4.35 2kt1A19 ARG 35 HB2 0.27 0.05 0.06 -0.04 1.90 2.24 2kt1A19 ARG 35 HB3 0.35 0.09 0.13 -0.04 1.80 2.33 2kt1A19 ARG 35 HG2 0.08 -0.12 0.01 -0.04 1.67 1.59 2kt1A19 ARG 35 HG3 0.09 0.01 -0.11 -0.04 1.67 1.62 2kt1A19 ARG 35 HD2 -0.00 0.18 0.03 -0.04 3.22 3.39 2kt1A19 ARG 35 HD3 0.03 0.02 0.00 -0.04 3.22 3.23 2kt1A19 ALA 36 H 0.09 0.05 -0.25 -0.55 8.40 7.73 2kt1A19 ALA 36 HA 0.06 0.11 0.45 -0.75 4.34 4.20 2kt1A19 ALA 36 HB3 0.05 0.02 0.04 -0.04 1.41 1.48 2kt1A19 ALA 37 H 0.08 0.19 -0.27 -0.55 8.40 7.85 2kt1A19 ALA 37 HA 0.04 0.06 0.42 -0.75 4.34 4.11 2kt1A19 ALA 37 HB3 0.06 0.03 0.12 -0.04 1.41 1.58 2kt1A19 LEU 38 H 0.09 0.30 -0.14 -0.55 8.37 8.07 2kt1A19 LEU 38 HA 0.01 0.03 0.37 -0.75 4.35 4.01 2kt1A19 LEU 38 HB2 0.07 0.16 0.14 -0.04 1.64 1.97 2kt1A19 LEU 38 HB3 -0.00 0.01 -0.01 -0.04 1.64 1.60 2kt1A19 LEU 38 HG 0.14 0.03 -0.06 -0.04 1.64 1.71 2kt1A19 LEU 38 HD13 0.08 -0.02 -0.02 -0.04 0.93 0.92 2kt1A19 LEU 38 HD23 0.04 0.00 -0.07 -0.04 0.89 0.82 2kt1A19 GLN 39 H 0.05 0.45 -0.23 -0.55 8.47 8.19 2kt1A19 GLN 39 HA 0.01 0.05 0.39 -0.75 4.36 4.06 2kt1A19 GLN 39 HB2 0.03 0.13 0.19 -0.04 2.15 2.46 2kt1A19 GLN 39 HB3 0.02 -0.02 0.01 -0.04 2.02 1.99 2kt1A19 GLN 39 HG2 0.04 -0.03 0.02 -0.04 2.40 2.38 2kt1A19 GLN 39 HG3 0.06 0.28 0.09 -0.04 2.39 2.78 2kt1A19 GLN 39 HE21 0.08 -0.01 -0.18 -0.04 6.97 6.83 2kt1A19 GLN 39 HE22 0.05 -0.02 -0.08 -0.04 7.69 7.60 2kt1A19 ALA 40 H 0.02 0.53 -0.05 -0.55 8.40 8.36 2kt1A19 ALA 40 HA 0.01 0.02 0.37 -0.75 4.34 3.98 2kt1A19 ALA 40 HB3 0.01 -0.01 0.10 -0.04 1.41 1.48 2kt1A19 LEU 41 H 0.00 0.65 -0.08 -0.55 8.37 8.40 2kt1A19 LEU 41 HA -0.02 0.01 0.42 -0.75 4.35 4.01 2kt1A19 LEU 41 HB2 -0.02 0.00 0.08 -0.04 1.64 1.66 2kt1A19 LEU 41 HB3 -0.03 -0.02 0.01 -0.04 1.64 1.56 2kt1A19 LEU 41 HG -0.00 0.17 0.06 -0.04 1.64 1.83 2kt1A19 LEU 41 HD13 -0.04 -0.03 -0.08 -0.04 0.93 0.74 2kt1A19 LEU 41 HD23 -0.01 -0.01 0.02 -0.04 0.89 0.84 2kt1A19 GLY 42 H -0.01 0.29 -0.47 -0.55 8.43 7.69 2kt1A19 GLY 42 HA2 -0.02 0.06 0.22 -0.51 4.01 3.77 2kt1A19 GLY 42 HA3 -0.02 0.12 0.75 -0.51 4.01 4.35 2kt1A19 VAL 43 H -0.02 0.48 0.07 -0.55 8.24 8.22 2kt1A19 VAL 43 HA -0.05 0.03 0.41 -0.75 4.13 3.77 2kt1A19 VAL 43 HB -0.04 -0.05 0.04 -0.04 2.12 2.03 2kt1A19 VAL 43 HG13 -0.08 -0.00 -0.30 -0.04 0.97 0.55 2kt1A19 VAL 43 HG23 -0.04 0.02 -0.04 -0.04 0.95 0.84 2kt1A19 ALA 44 H -0.04 0.17 0.20 -0.55 8.40 8.18 2kt1A19 ALA 44 HA -0.03 0.09 0.47 -0.75 4.34 4.11 2kt1A19 ALA 44 HB3 -0.03 0.03 0.08 -0.04 1.41 1.44 2kt1A19 GLU 45 H -0.03 0.16 0.14 -0.55 8.60 8.32 2kt1A19 GLU 45 HA -0.07 -0.02 0.42 -0.75 4.29 3.87 2kt1A19 GLU 45 HB2 -0.03 0.05 0.14 -0.04 2.09 2.21 2kt1A19 GLU 45 HB3 -0.03 0.02 0.14 -0.04 1.99 2.08 2kt1A19 GLU 45 HG2 -0.03 0.03 -0.20 -0.04 2.34 2.09 2kt1A19 GLU 45 HG3 -0.04 -0.05 0.03 -0.04 2.34 2.24 2kt1A19 GLY 46 H -0.10 0.08 0.14 -0.55 8.43 8.00 2kt1A19 GLY 46 HA2 -0.08 0.02 0.41 -0.51 4.01 3.86 2kt1A19 GLY 46 HA3 -0.06 0.28 0.82 -0.51 4.01 4.54 2kt1A19 GLY 47 H -0.08 0.59 -0.33 -0.55 8.43 8.07 2kt1A19 GLY 47 HA2 -0.07 0.10 0.41 -0.51 4.01 3.94 2kt1A19 GLY 47 HA3 -0.08 0.10 0.23 -0.51 4.01 3.75 2kt1A19 GLU 48 H -0.16 0.07 -0.34 -0.55 8.60 7.63 2kt1A19 GLU 48 HA -0.24 0.08 0.31 -0.75 4.29 3.69 2kt1A19 GLU 48 HB2 -0.30 0.02 0.01 -0.04 2.09 1.77 2kt1A19 GLU 48 HB3 -0.33 -0.07 -0.01 -0.04 1.99 1.54 2kt1A19 GLU 48 HG2 -0.57 0.01 -0.08 -0.04 2.34 1.65 2kt1A19 GLU 48 HG3 -1.02 0.05 -0.25 -0.04 2.34 1.08 2kt1A19 ARG 49 H -0.25 0.22 -0.36 -0.55 8.46 7.53 2kt1A19 ARG 49 HA -0.50 0.07 0.43 -0.75 4.34 3.59 2kt1A19 ARG 49 HB2 -0.11 0.14 0.06 -0.04 1.90 1.95 2kt1A19 ARG 49 HB3 -0.07 0.00 0.13 -0.04 1.80 1.82 2kt1A19 ARG 49 HG2 -0.22 -0.12 0.01 -0.04 1.67 1.30 2kt1A19 ARG 49 HG3 -0.08 0.01 0.03 -0.04 1.67 1.59 2kt1A19 ARG 49 HD2 -0.70 -0.01 -0.15 -0.04 3.22 2.32 2kt1A19 ARG 49 HD3 -0.09 -0.01 -0.04 -0.04 3.22 3.04 2kt1A19 CYS 50 H -0.12 0.32 -0.86 -0.55 8.50 7.30 2kt1A19 CYS 50 HA 0.00 0.19 0.92 -0.75 4.58 4.93 2kt1A19 CYS 50 HB2 -0.05 0.00 0.13 -0.04 2.97 3.01 2kt1A19 CYS 50 HB3 -0.03 -0.10 0.11 -0.04 2.97 2.92 2kt1A19 PRO 51 HA -0.06 0.02 0.50 -0.51 4.44 4.38 2kt1A19 PRO 51 HB2 -0.06 0.29 -0.02 -0.04 2.28 2.45 2kt1A19 PRO 51 HB3 -0.15 -0.05 0.04 -0.04 2.02 1.82 2kt1A19 PRO 51 HG2 0.13 0.28 0.04 -0.04 2.03 2.44 2kt1A19 PRO 51 HG3 0.38 -0.03 -0.13 -0.04 2.03 2.20 2kt1A19 PRO 51 HD2 0.10 0.19 -0.09 -0.04 3.68 3.84 2kt1A19 PRO 51 HD3 0.14 0.29 -0.12 -0.04 3.65 3.92 2kt1A19 GLN 52 H 0.01 0.16 -0.23 -0.55 8.47 7.87 2kt1A19 GLN 52 HA -0.06 0.08 0.53 -0.75 4.36 4.16 2kt1A19 GLN 52 HB2 -0.01 -0.01 0.08 -0.04 2.15 2.17 2kt1A19 GLN 52 HB3 0.02 0.13 0.15 -0.04 2.02 2.27 2kt1A19 GLN 52 HG2 0.00 -0.19 0.01 -0.04 2.40 2.18 2kt1A19 GLN 52 HG3 -0.01 0.02 -0.16 -0.04 2.39 2.20 2kt1A19 GLN 52 HE21 0.01 -0.02 0.08 -0.04 6.97 7.00 2kt1A19 GLN 52 HE22 0.03 -0.01 0.05 -0.04 7.69 7.71 2kt1A19 SER 53 H -0.04 0.36 -0.56 -0.55 8.46 7.67 2kt1A19 SER 53 HA -0.06 0.11 0.60 -0.75 4.49 4.39 2kt1A19 SER 53 HB2 -0.04 -0.07 0.03 -0.04 3.95 3.83 2kt1A19 SER 53 HB3 -0.05 0.16 0.11 -0.04 3.93 4.10 2kt1A19 VAL 54 H -0.07 0.15 -0.14 -0.55 8.24 7.63 2kt1A19 VAL 54 HA -0.08 0.05 0.32 -0.75 4.13 3.66 2kt1A19 VAL 54 HB -0.10 0.02 0.07 -0.04 2.12 2.07 2kt1A19 VAL 54 HG13 -0.08 -0.02 -0.23 -0.04 0.97 0.60 2kt1A19 VAL 54 HG23 -0.07 0.02 -0.02 -0.04 0.95 0.83 2kt1A19 GLY 55 H -0.09 0.43 -0.10 -0.55 8.43 8.12 2kt1A19 GLY 55 HA2 -0.09 0.02 0.19 -0.51 4.01 3.62 2kt1A19 GLY 55 HA3 -0.16 0.20 0.90 -0.51 4.01 4.44 2kt1A19 TRP 56 H -0.05 0.27 0.09 -0.55 7.97 7.72 2kt1A19 TRP 56 HA -0.26 -0.04 1.01 -0.75 4.62 4.57 2kt1A19 TRP 56 HB2 -0.11 0.04 0.08 -0.04 3.23 3.19 2kt1A19 TRP 56 HB3 -0.13 0.02 -0.16 -0.04 3.23 2.93 2kt1A19 TRP 56 HD1 -0.17 -0.07 -0.57 -0.04 7.22 6.37 2kt1A19 TRP 56 HE1 -0.10 0.03 -0.06 -0.04 10.20 10.03 2kt1A19 TRP 56 HE3 -0.04 0.01 -0.07 -0.04 7.59 7.45 2kt1A19 TRP 56 HZ2 0.00 0.01 -0.02 -0.04 7.44 7.40 2kt1A19 TRP 56 HZ3 -0.01 -0.01 -0.02 -0.04 7.13 7.05 2kt1A19 TRP 56 HH2 0.01 -0.01 -0.01 -0.04 7.19 7.14 2kt1A19 MET 57 H -0.45 0.58 0.35 -0.55 8.47 8.40 2kt1A19 MET 57 HA -0.11 0.23 0.86 -0.75 4.52 4.75 2kt1A19 MET 57 HB2 -0.54 -0.04 -0.05 -0.04 2.15 1.47 2kt1A19 MET 57 HB3 -0.17 0.04 -0.05 -0.04 2.03 1.81 2kt1A19 MET 57 HG2 -0.12 0.14 -0.30 -0.04 2.63 2.31 2kt1A19 MET 57 HG3 -0.21 -0.08 -0.52 -0.04 2.56 1.71 2kt1A19 MET 57 HE3 -0.38 -0.00 -0.09 -0.04 2.10 1.59 2kt1A19 PRO 58 HA 0.07 0.24 0.66 -0.51 4.44 4.90 2kt1A19 PRO 58 HB2 0.06 0.02 -0.04 -0.04 2.28 2.28 2kt1A19 PRO 58 HB3 0.04 0.01 -0.03 -0.04 2.02 2.00 2kt1A19 PRO 58 HG2 0.03 -0.04 0.15 -0.04 2.03 2.13 2kt1A19 PRO 58 HG3 0.02 0.07 0.06 -0.04 2.03 2.14 2kt1A19 PRO 58 HD2 -0.03 0.08 0.19 -0.04 3.68 3.88 2kt1A19 PRO 58 HD3 -0.02 0.19 0.15 -0.04 3.65 3.92 2kt1A19 GLY 59 H 0.30 0.75 0.41 -0.55 8.43 9.35 2kt1A19 GLY 59 HA2 0.19 0.06 0.77 -0.51 4.01 4.52 2kt1A19 GLY 59 HA3 0.44 0.00 0.17 -0.51 4.01 4.11 2kt1A19 LEU 60 H 0.10 0.61 0.23 -0.55 8.37 8.76 2kt1A19 LEU 60 HA 0.02 0.27 0.85 -0.75 4.35 4.74 2kt1A19 LEU 60 HB2 0.04 -0.00 -0.01 -0.04 1.64 1.63 2kt1A19 LEU 60 HB3 0.04 0.00 0.27 -0.04 1.64 1.92 2kt1A19 LEU 60 HG -0.00 -0.10 -0.40 -0.04 1.64 1.10 2kt1A19 LEU 60 HD13 0.01 0.05 -0.37 -0.04 0.93 0.58 2kt1A19 LEU 60 HD23 0.01 -0.00 -0.06 -0.04 0.89 0.80 2kt1A19 ASN 61 H -0.03 0.69 0.25 -0.55 8.53 8.90 2kt1A19 ASN 61 HA -0.11 0.13 0.78 -0.75 4.76 4.81 2kt1A19 ASN 61 HB2 -0.11 0.12 0.05 -0.04 2.88 2.90 2kt1A19 ASN 61 HB3 -0.04 0.02 0.24 -0.04 2.79 2.96 2kt1A19 ASN 61 HD21 -0.11 0.08 -0.02 -0.04 7.03 6.94 2kt1A19 ASN 61 HD22 -0.05 -0.03 -0.03 -0.04 7.74 7.59 2kt1A19 GLU 62 H -0.05 0.68 0.37 -0.55 8.60 9.05 2kt1A19 GLU 62 HA -0.02 0.05 0.28 -0.75 4.29 3.84 2kt1A19 GLU 62 HB2 -0.03 0.07 0.19 -0.04 2.09 2.29 2kt1A19 GLU 62 HB3 -0.02 0.01 0.14 -0.04 1.99 2.08 2kt1A19 GLU 62 HG2 -0.01 -0.04 -0.01 -0.04 2.34 2.24 2kt1A19 GLU 62 HG3 -0.02 0.11 0.09 -0.04 2.34 2.48 2kt1A19 ARG 63 H -0.03 0.02 -0.44 -0.55 8.46 7.45 2kt1A19 ARG 63 HA -0.02 0.19 0.64 -0.75 4.34 4.40 2kt1A19 ARG 63 HB2 -0.03 -0.05 0.05 -0.04 1.90 1.83 2kt1A19 ARG 63 HB3 -0.02 -0.01 -0.05 -0.04 1.80 1.67 2kt1A19 ARG 63 HG2 -0.02 0.03 0.02 -0.04 1.67 1.66 2kt1A19 ARG 63 HG3 -0.02 0.03 0.03 -0.04 1.67 1.67 2kt1A19 ARG 63 HD2 -0.02 0.03 -0.06 -0.04 3.22 3.13 2kt1A19 ARG 63 HD3 -0.02 -0.02 -0.11 -0.04 3.22 3.03 2kt1A19 THR 64 H -0.02 0.14 -0.07 -0.55 8.28 7.78 2kt1A19 THR 64 HA -0.01 0.24 0.84 -0.75 4.39 4.70 2kt1A19 THR 64 HB -0.01 0.03 0.11 -0.04 4.32 4.40 2kt1A19 THR 64 HG23 -0.01 -0.00 -0.11 -0.04 1.22 1.05 2kt1A19 ARG 65 H -0.01 0.24 0.06 -0.55 8.46 8.19 2kt1A19 ARG 65 HA -0.01 -0.02 0.20 -0.75 4.34 3.76 2kt1A19 ARG 65 HB2 -0.00 0.25 -0.06 -0.04 1.90 2.04 2kt1A19 ARG 65 HB3 -0.00 -0.06 0.18 -0.04 1.80 1.88 2kt1A19 ARG 65 HG2 -0.00 -0.02 -0.05 -0.04 1.67 1.55 2kt1A19 ARG 65 HG3 -0.01 -0.04 -0.00 -0.04 1.67 1.58 2kt1A19 ARG 65 HD2 -0.01 0.02 -0.08 -0.04 3.22 3.11 2kt1A19 ARG 65 HD3 -0.01 -0.03 -0.33 -0.04 3.22 2.81 2kt1A19 GLN 66 H -0.01 0.02 -0.33 -0.55 8.47 7.61 2kt1A19 GLN 66 HA 0.01 0.16 0.67 -0.75 4.36 4.44 2kt1A19 GLN 66 HB2 0.00 -0.08 -0.00 -0.04 2.15 2.03 2kt1A19 GLN 66 HB3 0.01 0.07 0.01 -0.04 2.02 2.07 2kt1A19 GLN 66 HG2 -0.00 0.03 -0.16 -0.04 2.40 2.22 2kt1A19 GLN 66 HG3 0.00 -0.01 -0.02 -0.04 2.39 2.32 2kt1A19 GLN 66 HE21 -0.00 0.19 0.03 -0.04 6.97 7.15 2kt1A19 GLN 66 HE22 0.00 -0.06 -0.03 -0.04 7.69 7.55 2kt1A19 ARG 67 H 0.02 0.19 0.19 -0.55 8.46 8.30 2kt1A19 ARG 67 HA 0.04 0.29 1.06 -0.75 4.34 4.98 2kt1A19 ARG 67 HB2 0.03 -0.01 0.13 -0.04 1.90 2.02 2kt1A19 ARG 67 HB3 0.05 -0.00 -0.04 -0.04 1.80 1.76 2kt1A19 ARG 67 HG2 0.04 -0.03 -0.05 -0.04 1.67 1.58 2kt1A19 ARG 67 HG3 0.04 -0.02 -0.16 -0.04 1.67 1.49 2kt1A19 ARG 67 HD2 0.02 0.01 -0.11 -0.04 3.22 3.10 2kt1A19 ARG 67 HD3 0.02 -0.12 -0.30 -0.04 3.22 2.78 2kt1A19 GLY 68 H 0.10 0.66 0.36 -0.55 8.43 9.00 2kt1A19 GLY 68 HA2 0.05 0.11 0.47 -0.51 4.01 4.13 2kt1A19 GLY 68 HA3 0.06 0.12 0.20 -0.51 4.01 3.87 2kt1A19 ASP 69 H 0.04 0.23 0.09 -0.55 8.40 8.22 2kt1A19 ASP 69 HA 0.03 0.14 0.58 -0.75 4.63 4.62 2kt1A19 ASP 69 HB2 -0.00 -0.05 0.11 -0.04 2.71 2.73 2kt1A19 ASP 69 HB3 0.01 0.04 -0.14 -0.04 2.70 2.57 2kt1A19 PHE 70 H -0.15 0.69 0.35 -0.55 8.34 8.67 2kt1A19 PHE 70 HA -0.17 0.26 0.93 -0.75 4.62 4.89 2kt1A19 PHE 70 HB2 -0.04 0.05 -0.07 -0.04 3.15 3.04 2kt1A19 PHE 70 HB3 -0.04 0.01 -0.19 -0.04 3.06 2.80 2kt1A19 PHE 70 HD2 -0.02 0.06 -0.24 -0.04 7.28 7.05 2kt1A19 PHE 70 HE2 -0.04 -0.04 -0.26 -0.04 7.38 6.99 2kt1A19 PHE 70 HZ -0.16 -0.01 -0.21 -0.04 7.32 6.90 2kt1A19 PRO 71 HA -0.27 0.05 0.52 -0.51 4.44 4.23 2kt1A19 PRO 71 HB2 0.08 -0.03 0.18 -0.04 2.28 2.47 2kt1A19 PRO 71 HB3 -0.22 0.05 0.06 -0.04 2.02 1.87 2kt1A19 PRO 71 HG2 -0.13 0.05 0.02 -0.04 2.03 1.92 2kt1A19 PRO 71 HG3 -0.78 0.04 0.00 -0.04 2.03 1.25 2kt1A19 PRO 71 HD2 0.05 0.11 0.11 -0.04 3.68 3.91 2kt1A19 PRO 71 HD3 -0.21 0.21 0.16 -0.04 3.65 3.77 2kt1A19 GLY 72 H -0.21 0.28 0.56 -0.55 8.43 8.51 2kt1A19 GLY 72 HA2 0.08 -0.01 0.26 -0.51 4.01 3.83 2kt1A19 GLY 72 HA3 -0.24 0.03 0.31 -0.51 4.01 3.60 2kt1A19 THR 73 H -0.08 0.12 -0.45 -0.55 8.28 7.32 2kt1A19 THR 73 HA -0.11 0.09 0.39 -0.75 4.39 4.01 2kt1A19 THR 73 HB -0.60 -0.06 -0.03 -0.04 4.32 3.59 2kt1A19 THR 73 HG23 -0.23 0.04 0.02 -0.04 1.22 1.01 2kt1A19 TYR 74 H -0.13 0.36 -0.32 -0.55 8.29 7.64 2kt1A19 TYR 74 HA 0.02 0.14 0.47 -0.75 4.56 4.44 2kt1A19 TYR 74 HB2 -0.26 0.09 0.04 -0.04 3.06 2.89 2kt1A19 TYR 74 HB3 -0.03 -0.10 0.15 -0.04 2.98 2.96 2kt1A19 TYR 74 HD2 -0.32 0.06 -0.00 -0.04 7.15 6.84 2kt1A19 TYR 74 HE2 -0.14 -0.01 -0.03 -0.04 6.85 6.63 2kt1A19 VAL 75 H 0.11 0.33 -0.51 -0.55 8.24 7.61 2kt1A19 VAL 75 HA 0.15 0.21 0.98 -0.75 4.13 4.72 2kt1A19 VAL 75 HB 0.21 -0.07 -0.14 -0.04 2.12 2.08 2kt1A19 VAL 75 HG13 0.24 -0.02 -0.24 -0.04 0.97 0.90 2kt1A19 VAL 75 HG23 0.18 0.06 -0.09 -0.04 0.95 1.05 2kt1A19 GLU 76 H 0.14 0.63 0.37 -0.55 8.60 9.19 2kt1A19 GLU 76 HA 0.17 0.19 0.91 -0.75 4.29 4.80 2kt1A19 GLU 76 HB2 0.10 0.03 0.11 -0.04 2.09 2.28 2kt1A19 GLU 76 HB3 0.08 0.02 0.06 -0.04 1.99 2.11 2kt1A19 GLU 76 HG2 0.06 0.13 0.12 -0.04 2.34 2.61 2kt1A19 GLU 76 HG3 0.06 -0.07 -0.22 -0.04 2.34 2.08 2kt1A19 PHE 77 H 0.26 0.19 0.18 -0.55 8.34 8.42 2kt1A19 PHE 77 HA 0.04 0.08 0.80 -0.75 4.62 4.78 2kt1A19 PHE 77 HB2 0.10 0.07 0.08 -0.04 3.15 3.37 2kt1A19 PHE 77 HB3 0.03 0.01 0.18 -0.04 3.06 3.24 2kt1A19 PHE 77 HD2 -0.25 0.01 -0.08 -0.04 7.28 6.92 2kt1A19 PHE 77 HE2 -0.13 -0.04 -0.10 -0.04 7.38 7.07 2kt1A19 PHE 77 HZ 0.16 -0.04 -0.12 -0.04 7.32 7.28 2kt1A19 LEU 78 H -0.48 0.51 0.44 -0.55 8.37 8.29 2kt1A19 LEU 78 HA -0.19 0.12 0.78 -0.75 4.35 4.31 2kt1A19 LEU 78 HB2 -0.26 0.09 0.03 -0.04 1.64 1.45 2kt1A19 LEU 78 HB3 -0.17 -0.03 -0.03 -0.04 1.64 1.37 2kt1A19 LEU 78 HG -0.07 -0.05 -0.29 -0.04 1.64 1.19 2kt1A19 LEU 78 HD13 -0.06 -0.01 -0.19 -0.04 0.93 0.62 2kt1A19 LEU 78 HD23 -0.05 0.01 -0.16 -0.04 0.89 0.64 2kt1A19 GLY 79 H -1.01 0.32 0.30 -0.55 8.43 7.50 2kt1A19 GLY 79 HA2 -0.71 -0.01 0.26 -0.51 4.01 3.04 2kt1A19 GLY 79 HA3 -0.28 0.22 0.80 -0.51 4.01 4.24 2kt1A19 PRO 80 HA -0.19 0.07 0.71 -0.51 4.44 4.51 2kt1A19 PRO 80 HB2 -0.18 0.11 0.02 -0.04 2.28 2.18 2kt1A19 PRO 80 HB3 -0.10 -0.01 0.09 -0.04 2.02 1.96 2kt1A19 PRO 80 HG2 0.02 0.03 -0.05 -0.04 2.03 1.98 2kt1A19 PRO 80 HG3 0.19 0.03 0.03 -0.04 2.03 2.23 2kt1A19 PRO 80 HD2 0.02 0.15 0.21 -0.04 3.68 4.02 2kt1A19 PRO 80 HD3 0.28 0.09 0.16 -0.04 3.65 4.14 2kt1A19 LEU 81 H -0.24 0.32 0.17 -0.55 8.37 8.07 2kt1A19 LEU 81 HA -0.08 0.13 0.87 -0.75 4.35 4.52 2kt1A19 LEU 81 HB2 -0.07 0.05 -0.11 -0.04 1.64 1.47 2kt1A19 LEU 81 HB3 -0.08 0.00 -0.05 -0.04 1.64 1.48 2kt1A19 LEU 81 HG -0.16 0.14 0.05 -0.04 1.64 1.63 2kt1A19 LEU 81 HD13 -0.06 -0.02 -0.24 -0.04 0.93 0.57 2kt1A19 LEU 81 HD23 -0.10 -0.05 -0.23 -0.04 0.89 0.47 2kt1A19 GLU 82 H -0.05 0.13 0.01 -0.55 8.60 8.14 2kt1A19 GLU 82 HA -0.03 0.03 0.15 -0.75 4.29 3.69 2kt1A19 GLU 82 HB2 -0.03 0.01 0.06 -0.04 2.09 2.09 2kt1A19 GLU 82 HB3 -0.03 -0.01 -0.00 -0.04 1.99 1.91 2kt1A19 GLU 82 HG2 -0.05 -0.05 -0.32 -0.04 2.34 1.88 2kt1A19 GLU 82 HG3 -0.06 0.36 -0.26 -0.04 2.34 2.33