============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. PHE 12 1.000 -19.443 4.734 -12.907 -99.200 -91.000 PHE 19 1.000 -18.274 -0.242 -1.571 -99.200 -91.000 TYR 24 0.840 -16.501 1.691 4.870 -99.200 -91.000 HIS 27 0.900 -14.158 7.922 1.817 -99.200 -91.000 HIS 28 0.900 -15.801 2.414 -4.975 -99.200 -91.000 TYR 31 0.840 -11.529 10.823 -1.918 -99.200 -91.000 HIS 33 0.900 -17.067 4.131 -9.902 -99.200 -91.000 HIS 35 0.900 -9.736 11.705 -12.103 -99.200 -91.000 PHE 39 1.000 -0.692 13.495 -7.383 -99.200 -91.000 PHE 50 1.000 -0.518 7.431 0.377 -99.200 -91.000 PHE 52 1.000 -1.152 18.336 2.719 -99.200 -91.000 HIS 55 0.900 1.966 10.967 4.364 -99.200 -91.000 HIS 59 0.900 1.772 4.143 -1.243 -99.200 -91.000 HIS 63 0.900 3.377 0.274 -4.111 -99.200 -91.000 TYR 69 0.840 17.705 -5.581 -1.433 -99.200 -91.000 PHE 73 1.000 12.791 -12.631 10.934 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2dlkA11 GLY 1 HA2 -0.06 -0.16 0.23 -0.51 4.01 3.51 2dlkA11 GLY 1 HA3 -0.07 0.01 0.16 -0.51 4.01 3.60 2dlkA11 SER 2 H -0.05 0.04 0.09 -0.55 8.46 7.98 2dlkA11 SER 2 HA -0.03 0.04 0.34 -0.75 4.49 4.09 2dlkA11 SER 2 HB2 -0.04 -0.02 0.17 -0.04 3.95 4.02 2dlkA11 SER 2 HB3 -0.04 -0.08 0.08 -0.04 3.93 3.85 2dlkA11 SER 3 H -0.05 -0.07 -0.22 -0.55 8.46 7.57 2dlkA11 SER 3 HA -0.03 0.06 0.65 -0.75 4.49 4.42 2dlkA11 SER 3 HB2 -0.03 -0.06 -0.01 -0.04 3.95 3.82 2dlkA11 SER 3 HB3 -0.04 -0.06 -0.02 -0.04 3.93 3.76 2dlkA11 GLY 4 H -0.03 -0.08 0.07 -0.55 8.43 7.84 2dlkA11 GLY 4 HA2 -0.04 0.25 0.78 -0.51 4.01 4.48 2dlkA11 GLY 4 HA3 -0.03 -0.01 0.30 -0.51 4.01 3.76 2dlkA11 SER 5 H -0.02 0.07 0.15 -0.55 8.46 8.11 2dlkA11 SER 5 HA -0.02 0.06 0.36 -0.75 4.49 4.13 2dlkA11 SER 5 HB2 -0.01 0.00 0.17 -0.04 3.95 4.07 2dlkA11 SER 5 HB3 -0.01 -0.11 0.14 -0.04 3.93 3.91 2dlkA11 SER 6 H -0.01 -0.10 -0.14 -0.55 8.46 7.66 2dlkA11 SER 6 HA -0.01 0.18 0.63 -0.75 4.49 4.53 2dlkA11 SER 6 HB2 -0.00 -0.01 0.11 -0.04 3.95 4.00 2dlkA11 SER 6 HB3 -0.01 -0.04 0.05 -0.04 3.93 3.89 2dlkA11 GLY 7 H 0.00 0.14 0.14 -0.55 8.43 8.16 2dlkA11 GLY 7 HA2 0.01 0.05 0.25 -0.51 4.01 3.81 2dlkA11 GLY 7 HA3 -0.01 0.19 0.45 -0.51 4.01 4.12 2dlkA11 MET 8 H 0.06 0.77 0.21 -0.55 8.47 8.96 2dlkA11 MET 8 HA 0.05 0.20 0.96 -0.75 4.52 4.97 2dlkA11 MET 8 HB2 0.12 0.09 0.07 -0.04 2.15 2.38 2dlkA11 MET 8 HB3 0.10 0.02 0.01 -0.04 2.03 2.12 2dlkA11 MET 8 HG2 0.04 -0.01 -0.17 -0.04 2.63 2.45 2dlkA11 MET 8 HG3 0.05 -0.12 -0.09 -0.04 2.56 2.36 2dlkA11 MET 8 HE3 0.04 -0.03 -0.00 -0.04 2.10 2.06 2dlkA11 PRO 9 HA 0.04 0.17 0.36 -0.51 4.44 4.50 2dlkA11 PRO 9 HB2 0.05 0.05 -0.16 -0.04 2.28 2.18 2dlkA11 PRO 9 HB3 0.02 0.04 -0.07 -0.04 2.02 1.97 2dlkA11 PRO 9 HG2 0.05 -0.02 -0.03 -0.04 2.03 1.99 2dlkA11 PRO 9 HG3 0.03 0.05 0.00 -0.04 2.03 2.07 2dlkA11 PRO 9 HD2 0.04 0.03 0.26 -0.04 3.68 3.98 2dlkA11 PRO 9 HD3 0.03 0.30 0.12 -0.04 3.65 4.05 2dlkA11 CYS 10 H 0.11 0.27 0.22 -0.55 8.50 8.56 2dlkA11 CYS 10 HA 0.20 0.02 0.62 -0.75 4.58 4.67 2dlkA11 CYS 10 HB2 0.30 0.12 0.16 -0.04 2.97 3.51 2dlkA11 CYS 10 HB3 0.22 -0.10 0.22 -0.04 2.97 3.27 2dlkA11 ASP 11 H 0.09 0.20 0.18 -0.55 8.40 8.32 2dlkA11 ASP 11 HA 0.05 0.04 0.24 -0.75 4.63 4.20 2dlkA11 ASP 11 HB2 0.02 0.02 0.11 -0.04 2.71 2.83 2dlkA11 ASP 11 HB3 0.02 -0.06 0.08 -0.04 2.70 2.70 2dlkA11 PHE 12 H 0.14 -0.07 -0.44 -0.55 8.34 7.42 2dlkA11 PHE 12 HA -0.00 0.06 0.39 -0.75 4.62 4.30 2dlkA11 PHE 12 HB2 -0.36 -0.08 0.06 -0.04 3.15 2.73 2dlkA11 PHE 12 HB3 0.10 -0.05 0.00 -0.04 3.06 3.07 2dlkA11 PHE 12 HD2 -0.09 0.10 -0.05 -0.04 7.28 7.19 2dlkA11 PHE 12 HE2 0.09 0.01 0.00 -0.04 7.38 7.44 2dlkA11 PHE 12 HZ 0.09 -0.01 0.00 -0.04 7.32 7.36 2dlkA11 PRO 13 HA 0.13 0.07 0.49 -0.51 4.44 4.61 2dlkA11 PRO 13 HB2 0.10 0.02 0.01 -0.04 2.28 2.36 2dlkA11 PRO 13 HB3 0.04 0.04 0.14 -0.04 2.02 2.21 2dlkA11 PRO 13 HG2 0.09 0.02 0.11 -0.04 2.03 2.21 2dlkA11 PRO 13 HG3 -0.07 0.03 0.10 -0.04 2.03 2.05 2dlkA11 PRO 13 HD2 -0.66 0.04 0.24 -0.04 3.68 3.26 2dlkA11 PRO 13 HD3 -0.16 0.20 0.24 -0.04 3.65 3.89 2dlkA11 GLY 14 H 0.12 0.15 0.11 -0.55 8.43 8.26 2dlkA11 GLY 14 HA2 0.08 0.01 0.36 -0.51 4.01 3.95 2dlkA11 GLY 14 HA3 0.12 0.17 0.60 -0.51 4.01 4.40 2dlkA11 CYS 15 H 0.23 0.33 -0.84 -0.55 8.50 7.68 2dlkA11 CYS 15 HA 0.07 0.07 0.29 -0.75 4.58 4.25 2dlkA11 CYS 15 HB2 0.33 0.02 -0.01 -0.04 2.97 3.27 2dlkA11 CYS 15 HB3 0.28 0.11 0.08 -0.04 2.97 3.40 2dlkA11 GLY 16 H 0.12 0.18 -0.14 -0.55 8.43 8.05 2dlkA11 GLY 16 HA2 0.05 -0.02 0.24 -0.51 4.01 3.77 2dlkA11 GLY 16 HA3 0.03 0.10 0.30 -0.51 4.01 3.93 2dlkA11 ARG 17 H 0.06 0.04 -0.06 -0.55 8.46 7.95 2dlkA11 ARG 17 HA -0.16 0.25 0.93 -0.75 4.34 4.61 2dlkA11 ARG 17 HB2 0.00 -0.11 -0.02 -0.04 1.90 1.73 2dlkA11 ARG 17 HB3 -0.49 0.04 -0.10 -0.04 1.80 1.21 2dlkA11 ARG 17 HG2 -0.11 0.12 -0.09 -0.04 1.67 1.56 2dlkA11 ARG 17 HG3 0.00 0.07 -0.25 -0.04 1.67 1.45 2dlkA11 ARG 17 HD2 -0.11 -0.07 -0.07 -0.04 3.22 2.94 2dlkA11 ARG 17 HD3 -0.21 0.00 -0.04 -0.04 3.22 2.93 2dlkA11 ILE 18 H -0.33 0.25 0.10 -0.55 8.25 7.72 2dlkA11 ILE 18 HA -0.07 0.28 0.75 -0.75 4.18 4.38 2dlkA11 ILE 18 HB -0.15 0.06 -0.09 -0.04 1.89 1.67 2dlkA11 ILE 18 HG12 -0.02 -0.04 -0.36 -0.04 1.49 1.02 2dlkA11 ILE 18 HG13 -0.07 -0.09 -0.42 -0.04 1.21 0.59 2dlkA11 ILE 18 HG23 -0.04 0.00 -0.50 -0.04 0.93 0.35 2dlkA11 ILE 18 HD13 -0.04 0.04 -0.19 -0.04 0.88 0.66 2dlkA11 PHE 19 H 0.12 0.65 0.20 -0.55 8.34 8.76 2dlkA11 PHE 19 HA -0.06 0.19 0.88 -0.75 4.62 4.87 2dlkA11 PHE 19 HB2 0.04 0.10 0.03 -0.04 3.15 3.27 2dlkA11 PHE 19 HB3 0.01 -0.17 0.03 -0.04 3.06 2.90 2dlkA11 PHE 19 HD2 0.03 0.06 -0.12 -0.04 7.28 7.21 2dlkA11 PHE 19 HE2 -0.08 0.01 -0.13 -0.04 7.38 7.15 2dlkA11 PHE 19 HZ -0.86 0.01 -0.10 -0.04 7.32 6.33 2dlkA11 SER 20 H -0.01 0.16 0.13 -0.55 8.46 8.19 2dlkA11 SER 20 HA -0.01 0.10 0.38 -0.75 4.49 4.21 2dlkA11 SER 20 HB2 -0.04 0.02 0.02 -0.04 3.95 3.91 2dlkA11 SER 20 HB3 -0.08 0.04 0.12 -0.04 3.93 3.97 2dlkA11 ASN 21 H 0.03 0.02 0.00 -0.55 8.53 8.03 2dlkA11 ASN 21 HA 0.05 0.30 0.87 -0.75 4.76 5.23 2dlkA11 ASN 21 HB2 0.07 -0.14 0.17 -0.04 2.88 2.94 2dlkA11 ASN 21 HB3 0.05 0.12 0.02 -0.04 2.79 2.94 2dlkA11 ASN 21 HD21 0.11 0.06 0.02 -0.04 7.03 7.19 2dlkA11 ASN 21 HD22 0.33 0.07 -0.01 -0.04 7.74 8.09 2dlkA11 ARG 22 H 0.06 0.17 0.16 -0.55 8.46 8.29 2dlkA11 ARG 22 HA 0.05 0.21 0.55 -0.75 4.34 4.40 2dlkA11 ARG 22 HB2 0.03 0.10 0.11 -0.04 1.90 2.10 2dlkA11 ARG 22 HB3 0.03 -0.04 0.16 -0.04 1.80 1.91 2dlkA11 ARG 22 HG2 0.02 -0.03 0.02 -0.04 1.67 1.64 2dlkA11 ARG 22 HG3 0.02 0.07 0.01 -0.04 1.67 1.73 2dlkA11 ARG 22 HD2 0.02 -0.01 -0.51 -0.04 3.22 2.67 2dlkA11 ARG 22 HD3 0.01 0.01 -0.14 -0.04 3.22 3.06 2dlkA11 GLN 23 H 0.05 0.10 0.04 -0.55 8.47 8.12 2dlkA11 GLN 23 HA 0.01 0.09 0.33 -0.75 4.36 4.03 2dlkA11 GLN 23 HB2 0.08 -0.08 0.07 -0.04 2.15 2.18 2dlkA11 GLN 23 HB3 -0.06 0.10 -0.03 -0.04 2.02 1.99 2dlkA11 GLN 23 HG2 0.02 -0.06 0.10 -0.04 2.40 2.43 2dlkA11 GLN 23 HG3 0.01 0.06 0.04 -0.04 2.39 2.46 2dlkA11 GLN 23 HE21 -0.04 0.01 0.00 -0.04 6.97 6.90 2dlkA11 GLN 23 HE22 -0.02 0.04 0.00 -0.04 7.69 7.67 2dlkA11 TYR 24 H 0.23 0.02 -0.44 -0.55 8.29 7.55 2dlkA11 TYR 24 HA -0.08 0.07 0.34 -0.75 4.56 4.14 2dlkA11 TYR 24 HB2 0.01 -0.04 0.01 -0.04 3.06 3.00 2dlkA11 TYR 24 HB3 -0.09 0.11 -0.07 -0.04 2.98 2.88 2dlkA11 TYR 24 HD2 0.05 -0.03 -0.00 -0.04 7.15 7.13 2dlkA11 TYR 24 HE2 0.00 0.04 0.01 -0.04 6.85 6.85 2dlkA11 LEU 25 H -0.07 0.19 -0.26 -0.55 8.37 7.69 2dlkA11 LEU 25 HA -0.91 0.04 0.35 -0.75 4.35 3.08 2dlkA11 LEU 25 HB2 0.01 0.08 0.14 -0.04 1.64 1.83 2dlkA11 LEU 25 HB3 -0.02 0.03 0.25 -0.04 1.64 1.86 2dlkA11 LEU 25 HG 0.01 -0.06 -0.21 -0.04 1.64 1.35 2dlkA11 LEU 25 HD13 0.19 0.06 -0.10 -0.04 0.93 1.04 2dlkA11 LEU 25 HD23 0.06 -0.00 0.01 -0.04 0.89 0.91 2dlkA11 ASN 26 H -0.04 0.46 -0.05 -0.55 8.53 8.36 2dlkA11 ASN 26 HA -0.01 0.01 0.37 -0.75 4.76 4.37 2dlkA11 ASN 26 HB2 -0.00 -0.03 0.06 -0.04 2.88 2.86 2dlkA11 ASN 26 HB3 0.01 0.05 0.06 -0.04 2.79 2.87 2dlkA11 ASN 26 HD21 0.02 0.02 -0.13 -0.04 7.03 6.89 2dlkA11 ASN 26 HD22 -0.01 0.01 -0.06 -0.04 7.74 7.65 2dlkA11 HIS 27 H 0.04 0.59 -0.11 -0.55 8.41 8.39 2dlkA11 HIS 27 HA 0.02 -0.01 0.34 -0.75 4.63 4.22 2dlkA11 HIS 27 HB2 -0.14 0.05 0.10 -0.04 3.26 3.23 2dlkA11 HIS 27 HB3 -0.17 0.06 0.08 -0.04 3.20 3.13 2dlkA11 HIS 27 HD2 -0.06 -0.03 -0.00 -0.04 6.97 6.83 2dlkA11 HIS 27 HE1 -0.36 0.00 -0.03 -0.04 7.75 7.32 2dlkA11 HIS 28 H 0.01 0.64 -0.23 -0.55 8.41 8.29 2dlkA11 HIS 28 HA 0.04 -0.01 0.42 -0.75 4.63 4.32 2dlkA11 HIS 28 HB2 -0.05 -0.03 0.09 -0.04 3.26 3.23 2dlkA11 HIS 28 HB3 -0.42 0.19 0.25 -0.04 3.20 3.19 2dlkA11 HIS 28 HD2 0.10 -0.03 0.05 -0.04 6.97 7.05 2dlkA11 HIS 28 HE1 0.14 0.06 -0.08 -0.04 7.75 7.82 2dlkA11 LYS 29 H 0.05 0.53 0.08 -0.55 8.42 8.52 2dlkA11 LYS 29 HA -0.21 -0.11 0.35 -0.75 4.32 3.60 2dlkA11 LYS 29 HB2 -0.05 0.05 0.10 -0.04 1.87 1.93 2dlkA11 LYS 29 HB3 -0.18 -0.03 0.03 -0.04 1.79 1.57 2dlkA11 LYS 29 HG2 0.09 -0.04 0.06 -0.04 1.46 1.53 2dlkA11 LYS 29 HG3 0.17 0.33 0.14 -0.04 1.46 2.06 2dlkA11 LYS 29 HD2 -0.04 -0.01 -0.00 -0.04 1.69 1.60 2dlkA11 LYS 29 HD3 0.08 -0.14 0.02 -0.04 1.68 1.59 2dlkA11 LYS 29 HE2 0.01 0.07 -0.31 -0.04 2.99 2.72 2dlkA11 LYS 29 HE3 -0.01 0.03 -0.03 -0.04 2.99 2.94 2dlkA11 LYS 30 H -0.06 0.68 -0.19 -0.55 8.42 8.30 2dlkA11 LYS 30 HA -0.10 -0.08 0.32 -0.75 4.32 3.71 2dlkA11 LYS 30 HB2 -0.05 -0.02 0.04 -0.04 1.87 1.80 2dlkA11 LYS 30 HB3 -0.02 0.13 0.10 -0.04 1.79 1.96 2dlkA11 LYS 30 HG2 -0.36 0.05 -0.19 -0.04 1.46 0.92 2dlkA11 LYS 30 HG3 -0.15 -0.06 0.02 -0.04 1.46 1.23 2dlkA11 LYS 30 HD2 0.01 -0.01 -0.05 -0.04 1.69 1.61 2dlkA11 LYS 30 HD3 -0.08 -0.05 -0.04 -0.04 1.68 1.46 2dlkA11 LYS 30 HE2 -0.04 0.00 -0.04 -0.04 2.99 2.86 2dlkA11 LYS 30 HE3 -0.00 -0.02 -0.16 -0.04 2.99 2.77 2dlkA11 TYR 31 H 0.03 0.36 -0.34 -0.55 8.29 7.79 2dlkA11 TYR 31 HA -0.11 0.31 0.81 -0.75 4.56 4.82 2dlkA11 TYR 31 HB2 -0.19 0.05 0.20 -0.04 3.06 3.09 2dlkA11 TYR 31 HB3 -0.09 -0.04 -0.03 -0.04 2.98 2.78 2dlkA11 TYR 31 HD2 -0.26 0.11 -0.03 -0.04 7.15 6.94 2dlkA11 TYR 31 HE2 -0.19 -0.08 -0.05 -0.04 6.85 6.48 2dlkA11 GLN 32 H -0.00 0.21 0.16 -0.55 8.47 8.29 2dlkA11 GLN 32 HA -0.02 -0.02 0.25 -0.75 4.36 3.82 2dlkA11 GLN 32 HB2 -0.65 0.04 -0.11 -0.04 2.15 1.39 2dlkA11 GLN 32 HB3 -0.21 -0.02 -0.09 -0.04 2.02 1.66 2dlkA11 GLN 32 HG2 0.14 -0.03 0.08 -0.04 2.40 2.55 2dlkA11 GLN 32 HG3 0.37 -0.04 -0.02 -0.04 2.39 2.66 2dlkA11 GLN 32 HE21 0.06 0.03 -0.02 -0.04 6.97 6.99 2dlkA11 GLN 32 HE22 0.09 -0.03 -0.03 -0.04 7.69 7.68 2dlkA11 HIS 33 H -0.14 0.04 -0.13 -0.55 8.41 7.64 2dlkA11 HIS 33 HA -0.24 -0.03 0.39 -0.75 4.63 4.00 2dlkA11 HIS 33 HB2 -0.17 0.15 0.19 -0.04 3.26 3.39 2dlkA11 HIS 33 HB3 -0.18 -0.05 -0.03 -0.04 3.20 2.90 2dlkA11 HIS 33 HD2 -0.45 -0.02 -0.05 -0.04 6.97 6.40 2dlkA11 HIS 33 HE1 -0.87 0.01 -0.05 -0.04 7.75 6.79 2dlkA11 ILE 34 H -0.05 0.56 -0.20 -0.55 8.25 8.01 2dlkA11 ILE 34 HA -0.27 -0.04 0.84 -0.75 4.18 3.96 2dlkA11 ILE 34 HB -0.16 0.35 0.23 -0.04 1.89 2.27 2dlkA11 ILE 34 HG12 -0.05 -0.11 -0.02 -0.04 1.49 1.27 2dlkA11 ILE 34 HG13 -0.01 -0.07 -0.19 -0.04 1.21 0.90 2dlkA11 ILE 34 HG23 -0.18 -0.01 -0.00 -0.04 0.93 0.70 2dlkA11 ILE 34 HD13 -0.03 -0.03 -0.11 -0.04 0.88 0.66 2dlkA11 HIS 35 H -0.66 0.03 0.16 -0.55 8.41 7.39 2dlkA11 HIS 35 HA -0.04 0.13 0.45 -0.75 4.63 4.41 2dlkA11 HIS 35 HB2 0.00 0.01 0.02 -0.04 3.26 3.26 2dlkA11 HIS 35 HB3 0.00 0.05 0.08 -0.04 3.20 3.30 2dlkA11 HIS 35 HD2 -0.03 -0.04 -0.14 -0.04 6.97 6.72 2dlkA11 HIS 35 HE1 0.01 -0.03 0.04 -0.04 7.75 7.72 2dlkA11 GLN 36 H 0.04 0.23 0.18 -0.55 8.47 8.37 2dlkA11 GLN 36 HA -0.06 0.16 0.82 -0.75 4.36 4.53 2dlkA11 GLN 36 HB2 -0.36 0.02 0.03 -0.04 2.15 1.80 2dlkA11 GLN 36 HB3 -0.20 -0.21 0.12 -0.04 2.02 1.69 2dlkA11 GLN 36 HG2 -0.24 -0.03 0.01 -0.04 2.40 2.10 2dlkA11 GLN 36 HG3 -0.44 0.36 -0.31 -0.04 2.39 1.96 2dlkA11 GLN 36 HE21 -0.30 0.08 -0.03 -0.04 6.97 6.67 2dlkA11 GLN 36 HE22 -0.33 -0.10 -0.04 -0.04 7.69 7.17 2dlkA11 LYS 37 H -0.09 0.11 0.12 -0.55 8.42 8.01 2dlkA11 LYS 37 HA -0.16 0.03 0.33 -0.75 4.32 3.76 2dlkA11 LYS 37 HB2 -0.09 -0.00 0.16 -0.04 1.87 1.90 2dlkA11 LYS 37 HB3 -0.09 -0.07 0.14 -0.04 1.79 1.73 2dlkA11 LYS 37 HG2 -0.15 0.07 -0.16 -0.04 1.46 1.18 2dlkA11 LYS 37 HG3 -0.12 -0.01 0.05 -0.04 1.46 1.33 2dlkA11 LYS 37 HD2 -0.08 -0.01 0.03 -0.04 1.69 1.59 2dlkA11 LYS 37 HD3 -0.04 -0.03 0.01 -0.04 1.68 1.58 2dlkA11 LYS 37 HE2 -0.05 0.02 0.04 -0.04 2.99 2.96 2dlkA11 LYS 37 HE3 -0.03 -0.01 0.02 -0.04 2.99 2.93 2dlkA11 SER 38 H -0.04 -0.07 -0.25 -0.55 8.46 7.54 2dlkA11 SER 38 HA -0.06 0.13 0.45 -0.75 4.49 4.26 2dlkA11 SER 38 HB2 0.10 -0.02 -0.32 -0.04 3.95 3.66 2dlkA11 SER 38 HB3 0.04 -0.13 -0.02 -0.04 3.93 3.79 2dlkA11 PHE 39 H 0.08 0.10 0.22 -0.55 8.34 8.19 2dlkA11 PHE 39 HA 0.07 0.13 0.56 -0.75 4.62 4.63 2dlkA11 PHE 39 HB2 0.10 -0.11 0.15 -0.04 3.15 3.26 2dlkA11 PHE 39 HB3 0.08 0.05 -0.02 -0.04 3.06 3.13 2dlkA11 PHE 39 HD2 0.04 -0.04 0.05 -0.04 7.28 7.29 2dlkA11 PHE 39 HE2 0.01 -0.05 0.01 -0.04 7.38 7.31 2dlkA11 PHE 39 HZ 0.01 -0.04 0.01 -0.04 7.32 7.26 2dlkA11 SER 40 H 0.28 0.16 0.20 -0.55 8.46 8.55 2dlkA11 SER 40 HA 0.20 0.20 0.91 -0.75 4.49 5.04 2dlkA11 SER 40 HB2 0.11 0.07 -0.09 -0.04 3.95 4.00 2dlkA11 SER 40 HB3 0.14 0.01 -0.09 -0.04 3.93 3.95 2dlkA11 CYS 41 H 0.17 0.40 0.11 -0.55 8.50 8.63 2dlkA11 CYS 41 HA 0.14 0.13 0.56 -0.75 4.58 4.65 2dlkA11 CYS 41 HB2 0.38 0.13 0.13 -0.04 2.97 3.58 2dlkA11 CYS 41 HB3 0.18 -0.16 0.18 -0.04 2.97 3.13 2dlkA11 PRO 42 HA 0.01 0.13 0.34 -0.51 4.44 4.42 2dlkA11 PRO 42 HB2 -0.03 0.01 0.09 -0.04 2.28 2.30 2dlkA11 PRO 42 HB3 -0.01 0.04 0.12 -0.04 2.02 2.12 2dlkA11 PRO 42 HG2 -0.08 0.01 -0.01 -0.04 2.03 1.92 2dlkA11 PRO 42 HG3 -0.04 0.03 0.07 -0.04 2.03 2.05 2dlkA11 PRO 42 HD2 -0.00 0.04 0.22 -0.04 3.68 3.89 2dlkA11 PRO 42 HD3 0.02 0.24 0.25 -0.04 3.65 4.11 2dlkA11 GLU 43 H -0.02 -0.05 -0.83 -0.55 8.60 7.16 2dlkA11 GLU 43 HA -0.04 0.23 0.75 -0.75 4.29 4.48 2dlkA11 GLU 43 HB2 -0.10 -0.05 0.07 -0.04 2.09 1.97 2dlkA11 GLU 43 HB3 -0.03 -0.19 -0.01 -0.04 1.99 1.72 2dlkA11 GLU 43 HG2 -0.41 0.05 0.00 -0.04 2.34 1.94 2dlkA11 GLU 43 HG3 -0.11 0.04 0.02 -0.04 2.34 2.26 2dlkA11 PRO 44 HA 0.02 0.17 0.39 -0.51 4.44 4.51 2dlkA11 PRO 44 HB2 0.01 0.06 -0.02 -0.04 2.28 2.29 2dlkA11 PRO 44 HB3 0.01 0.08 0.08 -0.04 2.02 2.15 2dlkA11 PRO 44 HG2 0.01 -0.10 0.16 -0.04 2.03 2.05 2dlkA11 PRO 44 HG3 0.00 0.09 0.11 -0.04 2.03 2.19 2dlkA11 PRO 44 HD2 -0.01 0.03 0.26 -0.04 3.68 3.92 2dlkA11 PRO 44 HD3 -0.01 0.30 0.26 -0.04 3.65 4.16 2dlkA11 ALA 45 H 0.02 0.10 0.00 -0.55 8.40 7.97 2dlkA11 ALA 45 HA 0.03 0.12 0.38 -0.75 4.34 4.11 2dlkA11 ALA 45 HB3 0.03 -0.01 0.05 -0.04 1.41 1.45 2dlkA11 CYS 46 H 0.06 -0.06 -0.29 -0.55 8.50 7.65 2dlkA11 CYS 46 HA 0.11 0.11 0.43 -0.75 4.58 4.49 2dlkA11 CYS 46 HB2 0.23 0.04 0.03 -0.04 2.97 3.23 2dlkA11 CYS 46 HB3 0.10 -0.10 0.07 -0.04 2.97 3.00 2dlkA11 GLY 47 H 0.07 0.23 -0.15 -0.55 8.43 8.04 2dlkA11 GLY 47 HA2 0.08 0.13 0.35 -0.51 4.01 4.06 2dlkA11 GLY 47 HA3 0.06 0.07 0.29 -0.51 4.01 3.92 2dlkA11 LYS 48 H 0.16 -0.06 -0.29 -0.55 8.42 7.68 2dlkA11 LYS 48 HA -0.08 0.17 0.78 -0.75 4.32 4.43 2dlkA11 LYS 48 HB2 0.13 0.03 -0.03 -0.04 1.87 1.96 2dlkA11 LYS 48 HB3 -0.04 -0.07 -0.03 -0.04 1.79 1.62 2dlkA11 LYS 48 HG2 -0.85 0.08 -0.03 -0.04 1.46 0.61 2dlkA11 LYS 48 HG3 -0.20 0.03 0.08 -0.04 1.46 1.33 2dlkA11 LYS 48 HD2 0.20 -0.03 -0.04 -0.04 1.69 1.78 2dlkA11 LYS 48 HD3 -0.09 -0.04 -0.02 -0.04 1.68 1.49 2dlkA11 LYS 48 HE2 -0.01 0.01 0.01 -0.04 2.99 2.96 2dlkA11 LYS 48 HE3 0.13 0.05 -0.01 -0.04 2.99 3.12 2dlkA11 SER 49 H -0.30 0.15 0.20 -0.55 8.46 7.97 2dlkA11 SER 49 HA 0.08 0.34 0.95 -0.75 4.49 5.11 2dlkA11 SER 49 HB2 -0.03 -0.01 -0.09 -0.04 3.95 3.78 2dlkA11 SER 49 HB3 -0.04 0.07 -0.09 -0.04 3.93 3.84 2dlkA11 PHE 50 H 0.22 0.49 0.07 -0.55 8.34 8.57 2dlkA11 PHE 50 HA 0.04 0.06 0.76 -0.75 4.62 4.73 2dlkA11 PHE 50 HB2 0.13 0.04 0.09 -0.04 3.15 3.36 2dlkA11 PHE 50 HB3 0.18 -0.09 0.08 -0.04 3.06 3.18 2dlkA11 PHE 50 HD2 0.04 0.05 -0.17 -0.04 7.28 7.16 2dlkA11 PHE 50 HE2 -0.44 0.04 -0.19 -0.04 7.38 6.75 2dlkA11 PHE 50 HZ -0.86 0.02 -0.12 -0.04 7.32 6.32 2dlkA11 ASN 51 H 0.06 0.16 0.12 -0.55 8.53 8.32 2dlkA11 ASN 51 HA -0.06 0.07 0.41 -0.75 4.76 4.42 2dlkA11 ASN 51 HB2 -0.48 0.02 -0.01 -0.04 2.88 2.37 2dlkA11 ASN 51 HB3 -0.15 0.05 0.11 -0.04 2.79 2.76 2dlkA11 ASN 51 HD21 -0.50 0.03 0.01 -0.04 7.03 6.53 2dlkA11 ASN 51 HD22 0.03 0.04 0.05 -0.04 7.74 7.83 2dlkA11 PHE 52 H 0.09 0.04 -0.02 -0.55 8.34 7.89 2dlkA11 PHE 52 HA 0.01 0.24 0.81 -0.75 4.62 4.93 2dlkA11 PHE 52 HB2 -0.08 -0.00 0.07 -0.04 3.15 3.10 2dlkA11 PHE 52 HB3 -0.04 -0.12 0.05 -0.04 3.06 2.91 2dlkA11 PHE 52 HD2 -0.04 0.00 0.04 -0.04 7.28 7.24 2dlkA11 PHE 52 HE2 -0.02 0.04 -0.00 -0.04 7.38 7.35 2dlkA11 PHE 52 HZ -0.01 0.03 -0.01 -0.04 7.32 7.29 2dlkA11 LYS 53 H 0.26 0.20 0.17 -0.55 8.42 8.49 2dlkA11 LYS 53 HA 0.30 0.16 0.50 -0.75 4.32 4.53 2dlkA11 LYS 53 HB2 0.16 -0.02 0.08 -0.04 1.87 2.05 2dlkA11 LYS 53 HB3 0.28 0.06 0.04 -0.04 1.79 2.12 2dlkA11 LYS 53 HG2 0.31 0.10 0.04 -0.04 1.46 1.87 2dlkA11 LYS 53 HG3 0.16 -0.05 0.13 -0.04 1.46 1.67 2dlkA11 LYS 53 HD2 0.35 0.01 0.02 -0.04 1.69 2.02 2dlkA11 LYS 53 HD3 0.25 0.08 0.03 -0.04 1.68 2.00 2dlkA11 LYS 53 HE2 0.10 0.04 0.02 -0.04 2.99 3.12 2dlkA11 LYS 53 HE3 0.11 -0.04 0.06 -0.04 2.99 3.08 2dlkA11 LYS 54 H 0.08 0.09 -0.03 -0.55 8.42 8.00 2dlkA11 LYS 54 HA 0.03 0.09 0.31 -0.75 4.32 3.99 2dlkA11 LYS 54 HB2 -0.03 0.07 0.05 -0.04 1.87 1.92 2dlkA11 LYS 54 HB3 -0.07 0.01 0.10 -0.04 1.79 1.79 2dlkA11 LYS 54 HG2 -0.05 -0.22 -0.14 -0.04 1.46 1.01 2dlkA11 LYS 54 HG3 -0.15 0.09 -0.25 -0.04 1.46 1.11 2dlkA11 LYS 54 HD2 -0.25 0.01 0.00 -0.04 1.69 1.42 2dlkA11 LYS 54 HD3 -0.19 -0.01 -0.03 -0.04 1.68 1.41 2dlkA11 LYS 54 HE2 -0.14 0.02 -0.05 -0.04 2.99 2.77 2dlkA11 LYS 54 HE3 -0.08 0.02 -0.04 -0.04 2.99 2.86 2dlkA11 HIS 55 H 0.13 0.05 -0.81 -0.55 8.41 7.23 2dlkA11 HIS 55 HA -0.00 0.09 0.52 -0.75 4.63 4.48 2dlkA11 HIS 55 HB2 0.17 0.08 0.08 -0.04 3.26 3.55 2dlkA11 HIS 55 HB3 -0.07 0.08 -0.04 -0.04 3.20 3.12 2dlkA11 HIS 55 HD2 0.07 0.02 -0.09 -0.04 6.97 6.92 2dlkA11 HIS 55 HE1 0.14 0.02 -0.00 -0.04 7.75 7.86 2dlkA11 LEU 56 H -0.06 0.23 0.07 -0.55 8.37 8.06 2dlkA11 LEU 56 HA -0.66 0.04 0.26 -0.75 4.35 3.23 2dlkA11 LEU 56 HB2 0.07 0.06 0.13 -0.04 1.64 1.85 2dlkA11 LEU 56 HB3 0.07 0.01 0.07 -0.04 1.64 1.76 2dlkA11 LEU 56 HG 0.11 0.00 -0.08 -0.04 1.64 1.62 2dlkA11 LEU 56 HD13 -0.07 -0.01 -0.22 -0.04 0.93 0.60 2dlkA11 LEU 56 HD23 0.07 0.01 -0.17 -0.04 0.89 0.76 2dlkA11 LYS 57 H -0.00 0.42 -0.87 -0.55 8.42 7.42 2dlkA11 LYS 57 HA -0.03 0.03 0.39 -0.75 4.32 3.96 2dlkA11 LYS 57 HB2 0.02 0.02 -0.04 -0.04 1.87 1.82 2dlkA11 LYS 57 HB3 0.01 0.05 0.11 -0.04 1.79 1.92 2dlkA11 LYS 57 HG2 -0.02 -0.01 0.01 -0.04 1.46 1.40 2dlkA11 LYS 57 HG3 0.00 -0.03 -0.03 -0.04 1.46 1.36 2dlkA11 LYS 57 HD2 -0.00 0.01 -0.07 -0.04 1.69 1.59 2dlkA11 LYS 57 HD3 -0.01 -0.01 -0.27 -0.04 1.68 1.34 2dlkA11 LYS 57 HE2 -0.01 -0.01 -0.04 -0.04 2.99 2.89 2dlkA11 LYS 57 HE3 -0.02 -0.00 -0.02 -0.04 2.99 2.91 2dlkA11 GLU 58 H 0.01 0.39 0.15 -0.55 8.60 8.59 2dlkA11 GLU 58 HA -0.02 0.01 0.47 -0.75 4.29 4.00 2dlkA11 GLU 58 HB2 0.01 -0.03 0.12 -0.04 2.09 2.15 2dlkA11 GLU 58 HB3 0.03 0.04 0.20 -0.04 1.99 2.22 2dlkA11 GLU 58 HG2 -0.01 0.11 -0.04 -0.04 2.34 2.36 2dlkA11 GLU 58 HG3 -0.00 -0.02 -0.23 -0.04 2.34 2.05 2dlkA11 HIS 59 H -0.05 0.53 -0.49 -0.55 8.41 7.85 2dlkA11 HIS 59 HA -0.11 0.04 0.38 -0.75 4.63 4.19 2dlkA11 HIS 59 HB2 -0.50 -0.07 -0.14 -0.04 3.26 2.51 2dlkA11 HIS 59 HB3 -0.48 0.06 -0.06 -0.04 3.20 2.68 2dlkA11 HIS 59 HD2 0.06 0.04 -0.17 -0.04 6.97 6.86 2dlkA11 HIS 59 HE1 0.30 -0.00 -0.03 -0.04 7.75 7.97 2dlkA11 MET 60 H -0.03 0.47 -0.25 -0.55 8.47 8.11 2dlkA11 MET 60 HA 0.01 0.05 0.53 -0.75 4.52 4.35 2dlkA11 MET 60 HB2 -0.03 0.17 0.23 -0.04 2.15 2.47 2dlkA11 MET 60 HB3 -0.01 -0.08 0.01 -0.04 2.03 1.90 2dlkA11 MET 60 HG2 0.08 0.02 0.03 -0.04 2.63 2.72 2dlkA11 MET 60 HG3 -0.02 -0.03 0.02 -0.04 2.56 2.48 2dlkA11 MET 60 HE3 0.06 -0.02 -0.00 -0.04 2.10 2.10 2dlkA11 LYS 61 H -0.05 0.38 -0.07 -0.55 8.42 8.12 2dlkA11 LYS 61 HA -0.04 -0.05 0.31 -0.75 4.32 3.78 2dlkA11 LYS 61 HB2 -0.05 0.19 0.15 -0.04 1.87 2.12 2dlkA11 LYS 61 HB3 -0.04 0.01 -0.07 -0.04 1.79 1.64 2dlkA11 LYS 61 HG2 -0.03 -0.05 0.03 -0.04 1.46 1.37 2dlkA11 LYS 61 HG3 -0.03 0.07 0.06 -0.04 1.46 1.52 2dlkA11 LYS 61 HD2 -0.02 0.02 0.04 -0.04 1.69 1.69 2dlkA11 LYS 61 HD3 -0.02 -0.02 -0.01 -0.04 1.68 1.58 2dlkA11 LYS 61 HE2 -0.01 -0.02 -0.01 -0.04 2.99 2.91 2dlkA11 LYS 61 HE3 -0.01 -0.01 -0.02 -0.04 2.99 2.90 2dlkA11 LEU 62 H -0.13 0.20 -0.37 -0.55 8.37 7.52 2dlkA11 LEU 62 HA -0.10 0.06 0.34 -0.75 4.35 3.90 2dlkA11 LEU 62 HB2 -0.15 -0.01 0.08 -0.04 1.64 1.52 2dlkA11 LEU 62 HB3 -0.15 -0.06 0.09 -0.04 1.64 1.47 2dlkA11 LEU 62 HG -0.61 0.08 0.03 -0.04 1.64 1.09 2dlkA11 LEU 62 HD13 -0.59 -0.02 -0.22 -0.04 0.93 0.06 2dlkA11 LEU 62 HD23 -0.29 -0.03 0.04 -0.04 0.89 0.57 2dlkA11 HIS 63 H -0.20 0.16 -0.30 -0.55 8.41 7.52 2dlkA11 HIS 63 HA -0.07 -0.02 0.48 -0.75 4.63 4.26 2dlkA11 HIS 63 HB2 -0.13 0.08 0.25 -0.04 3.26 3.42 2dlkA11 HIS 63 HB3 -0.07 -0.12 0.01 -0.04 3.20 2.98 2dlkA11 HIS 63 HD2 -0.43 -0.00 -0.03 -0.04 6.97 6.47 2dlkA11 HIS 63 HE1 -0.00 -0.06 -0.01 -0.04 7.75 7.64 2dlkA11 SER 64 H 0.00 0.52 -0.09 -0.55 8.46 8.35 2dlkA11 SER 64 HA -0.01 -0.07 0.32 -0.75 4.49 3.97 2dlkA11 SER 64 HB2 -0.02 -0.03 0.01 -0.04 3.95 3.87 2dlkA11 SER 64 HB3 -0.03 0.06 0.02 -0.04 3.93 3.94 2dlkA11 ASP 65 H -0.03 0.00 0.13 -0.55 8.40 7.96 2dlkA11 ASP 65 HA -0.05 0.09 0.34 -0.75 4.63 4.26 2dlkA11 ASP 65 HB2 -0.04 -0.01 0.15 -0.04 2.71 2.77 2dlkA11 ASP 65 HB3 -0.05 -0.08 0.07 -0.04 2.70 2.61 2dlkA11 THR 66 H -0.06 -0.07 -0.31 -0.55 8.28 7.29 2dlkA11 THR 66 HA -0.13 -0.09 0.36 -0.75 4.39 3.79 2dlkA11 THR 66 HB -0.05 -0.08 0.05 -0.04 4.32 4.20 2dlkA11 THR 66 HG23 -0.05 0.03 -0.16 -0.04 1.22 1.01 2dlkA11 ARG 67 H -0.17 -0.01 0.16 -0.55 8.46 7.90 2dlkA11 ARG 67 HA -0.06 -0.10 0.37 -0.75 4.34 3.79 2dlkA11 ARG 67 HB2 -0.06 0.44 0.00 -0.04 1.90 2.25 2dlkA11 ARG 67 HB3 -0.03 -0.05 0.22 -0.04 1.80 1.90 2dlkA11 ARG 67 HG2 -0.01 -0.06 -0.00 -0.04 1.67 1.55 2dlkA11 ARG 67 HG3 -0.04 -0.03 -0.33 -0.04 1.67 1.23 2dlkA11 ARG 67 HD2 -0.04 0.03 -0.07 -0.04 3.22 3.10 2dlkA11 ARG 67 HD3 -0.00 -0.01 -0.00 -0.04 3.22 3.16 2dlkA11 ASP 68 H -0.29 -0.03 -0.01 -0.55 8.40 7.52 2dlkA11 ASP 68 HA -0.05 0.28 0.83 -0.75 4.63 4.94 2dlkA11 ASP 68 HB2 -0.15 0.15 0.10 -0.04 2.71 2.77 2dlkA11 ASP 68 HB3 -0.07 -0.17 0.14 -0.04 2.70 2.56 2dlkA11 TYR 69 H -0.14 -0.03 -0.10 -0.55 8.29 7.47 2dlkA11 TYR 69 HA 0.00 -0.01 0.41 -0.75 4.56 4.22 2dlkA11 TYR 69 HB2 0.00 -0.03 0.09 -0.04 3.06 3.08 2dlkA11 TYR 69 HB3 0.01 0.13 -0.06 -0.04 2.98 3.01 2dlkA11 TYR 69 HD2 -0.00 0.02 0.04 -0.04 7.15 7.17 2dlkA11 TYR 69 HE2 -0.00 -0.00 0.02 -0.04 6.85 6.82 2dlkA11 ILE 70 H 0.14 0.08 0.23 -0.55 8.25 8.14 2dlkA11 ILE 70 HA 0.06 0.10 0.63 -0.75 4.18 4.21 2dlkA11 ILE 70 HB 0.05 0.10 0.12 -0.04 1.89 2.11 2dlkA11 ILE 70 HG12 0.04 0.03 -0.08 -0.04 1.49 1.44 2dlkA11 ILE 70 HG13 0.04 -0.08 0.13 -0.04 1.21 1.26 2dlkA11 ILE 70 HG23 0.06 -0.00 0.02 -0.04 0.93 0.96 2dlkA11 ILE 70 HD13 0.03 0.00 0.01 -0.04 0.88 0.88 2dlkA11 CYS 71 H 0.05 0.11 0.14 -0.55 8.50 8.26 2dlkA11 CYS 71 HA 0.07 -0.04 0.30 -0.75 4.58 4.15 2dlkA11 CYS 71 HB2 0.04 -0.12 -0.12 -0.04 2.97 2.74 2dlkA11 CYS 71 HB3 0.04 0.22 0.05 -0.04 2.97 3.24 2dlkA11 GLU 72 H 0.08 0.04 -0.18 -0.55 8.60 7.99 2dlkA11 GLU 72 HA 0.05 0.05 0.18 -0.75 4.29 3.82 2dlkA11 GLU 72 HB2 0.10 -0.12 0.05 -0.04 2.09 2.08 2dlkA11 GLU 72 HB3 0.08 -0.02 -0.02 -0.04 1.99 1.98 2dlkA11 GLU 72 HG2 0.07 -0.03 0.00 -0.04 2.34 2.34 2dlkA11 GLU 72 HG3 0.10 0.15 -0.03 -0.04 2.34 2.52 2dlkA11 PHE 73 H 0.21 -0.09 -0.32 -0.55 8.34 7.59 2dlkA11 PHE 73 HA -0.00 -0.00 0.34 -0.75 4.62 4.20 2dlkA11 PHE 73 HB2 0.00 -0.05 0.04 -0.04 3.15 3.11 2dlkA11 PHE 73 HB3 0.00 0.17 -0.12 -0.04 3.06 3.08 2dlkA11 PHE 73 HD2 -0.00 0.07 0.03 -0.04 7.28 7.34 2dlkA11 PHE 73 HE2 -0.00 0.02 0.04 -0.04 7.38 7.39 2dlkA11 PHE 73 HZ -0.00 0.01 0.03 -0.04 7.32 7.32 2dlkA11 SER 74 H -1.07 -0.03 0.15 -0.55 8.46 6.96 2dlkA11 SER 74 HA -0.12 0.23 0.64 -0.75 4.49 4.48 2dlkA11 SER 74 HB2 -0.48 -0.10 0.18 -0.04 3.95 3.51 2dlkA11 SER 74 HB3 -0.16 0.00 -0.00 -0.04 3.93 3.73 2dlkA11 GLY 75 H 0.05 -0.08 0.07 -0.55 8.43 7.92 2dlkA11 GLY 75 HA2 0.07 0.05 0.40 -0.51 4.01 4.02 2dlkA11 GLY 75 HA3 0.21 -0.03 0.30 -0.51 4.01 3.99 2dlkA11 PRO 76 HA 0.04 0.10 0.42 -0.51 4.44 4.50 2dlkA11 PRO 76 HB2 0.02 0.11 0.06 -0.04 2.28 2.43 2dlkA11 PRO 76 HB3 0.02 0.03 0.14 -0.04 2.02 2.17 2dlkA11 PRO 76 HG2 0.03 0.01 0.01 -0.04 2.03 2.03 2dlkA11 PRO 76 HG3 0.02 0.01 0.07 -0.04 2.03 2.10 2dlkA11 PRO 76 HD2 0.05 0.01 0.21 -0.04 3.68 3.91 2dlkA11 PRO 76 HD3 0.03 0.17 0.21 -0.04 3.65 4.01 2dlkA11 SER 77 H 0.03 0.09 0.16 -0.55 8.46 8.19 2dlkA11 SER 77 HA 0.02 0.18 0.75 -0.75 4.49 4.69 2dlkA11 SER 77 HB2 0.02 -0.02 0.08 -0.04 3.95 3.99 2dlkA11 SER 77 HB3 0.01 0.03 0.08 -0.04 3.93 4.02 2dlkA11 SER 78 H 0.01 0.21 0.18 -0.55 8.46 8.31 2dlkA11 SER 78 HA 0.01 0.19 0.79 -0.75 4.49 4.73 2dlkA11 SER 78 HB2 0.01 -0.04 0.08 -0.04 3.95 3.95 2dlkA11 SER 78 HB3 0.01 0.07 -0.19 -0.04 3.93 3.78 2dlkA11 GLY 79 H 0.00 0.18 0.05 -0.55 8.43 8.12 2dlkA11 GLY 79 HA2 0.00 0.05 0.19 -0.51 4.01 3.74 2dlkA11 GLY 79 HA3 0.00 0.23 0.61 -0.51 4.01 4.34