============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 2 rings ring int. center anis. iso. PHE 16 1.000 -10.338 6.985 -1.468 -99.200 -91.000 TYR 79 0.840 2.557 -5.609 -4.183 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1siyA2 MET 1 HA 0.00 -0.15 0.25 -0.75 4.52 3.87 1siyA2 MET 1 HB2 -0.00 0.07 0.08 -0.04 2.15 2.26 1siyA2 MET 1 HB3 -0.00 0.08 0.02 -0.04 2.03 2.09 1siyA2 MET 1 HG2 -0.00 -0.73 -0.05 -0.04 2.63 1.80 1siyA2 MET 1 HG3 -0.00 0.06 -0.01 -0.04 2.56 2.57 1siyA2 MET 1 HE3 -0.01 0.02 -0.25 -0.04 2.10 1.81 1siyA2 THR 2 H 0.00 -0.01 0.17 -0.55 8.28 7.89 1siyA2 THR 2 HA -0.00 0.40 0.95 -0.75 4.39 4.99 1siyA2 THR 2 HB 0.00 0.06 0.19 -0.04 4.32 4.53 1siyA2 THR 2 HG23 0.00 0.06 -0.03 -0.04 1.22 1.21 1siyA2 CYS 3 H 0.00 0.09 -0.02 -0.55 8.50 8.03 1siyA2 CYS 3 HA 0.00 0.06 0.34 -0.75 4.58 4.22 1siyA2 CYS 3 HB2 -0.00 0.06 -0.14 -0.04 2.97 2.85 1siyA2 CYS 3 HB3 0.00 0.18 0.28 -0.04 2.97 3.38 1siyA2 GLY 4 H 0.00 0.25 -1.19 -0.55 8.43 6.95 1siyA2 GLY 4 HA2 0.01 0.19 0.69 -0.51 4.01 4.38 1siyA2 GLY 4 HA3 0.00 0.16 0.23 -0.51 4.01 3.90 1siyA2 GLN 5 H 0.00 -0.02 -0.04 -0.55 8.47 7.87 1siyA2 GLN 5 HA 0.01 0.20 0.50 -0.75 4.36 4.31 1siyA2 GLN 5 HB2 0.00 0.05 0.14 -0.04 2.15 2.30 1siyA2 GLN 5 HB3 0.01 -0.19 0.11 -0.04 2.02 1.91 1siyA2 GLN 5 HG2 0.01 0.06 -0.20 -0.04 2.40 2.23 1siyA2 GLN 5 HG3 0.01 0.07 0.01 -0.04 2.39 2.44 1siyA2 GLN 5 HE21 0.01 -0.01 -0.10 -0.04 6.97 6.83 1siyA2 GLN 5 HE22 0.01 0.03 0.02 -0.04 7.69 7.71 1siyA2 VAL 6 H 0.01 -0.12 -0.44 -0.55 8.24 7.13 1siyA2 VAL 6 HA 0.02 0.14 0.39 -0.75 4.13 3.93 1siyA2 VAL 6 HB 0.01 0.23 0.02 -0.04 2.12 2.34 1siyA2 VAL 6 HG13 0.02 0.01 -0.02 -0.04 0.97 0.94 1siyA2 VAL 6 HG23 0.00 -0.07 0.07 -0.04 0.95 0.91 1siyA2 GLN 7 H 0.01 0.18 -0.45 -0.55 8.47 7.67 1siyA2 GLN 7 HA 0.02 0.01 0.37 -0.75 4.36 3.99 1siyA2 GLN 7 HB2 0.01 0.11 0.22 -0.04 2.15 2.44 1siyA2 GLN 7 HB3 0.01 0.17 0.18 -0.04 2.02 2.34 1siyA2 GLN 7 HG2 0.01 -0.06 -0.06 -0.04 2.40 2.25 1siyA2 GLN 7 HG3 0.01 -0.01 0.09 -0.04 2.39 2.44 1siyA2 GLN 7 HE21 0.01 0.01 0.02 -0.04 6.97 6.97 1siyA2 GLN 7 HE22 0.01 0.01 -0.00 -0.04 7.69 7.67 1siyA2 GLY 8 H 0.01 0.37 -0.59 -0.55 8.43 7.68 1siyA2 GLY 8 HA2 0.01 -0.01 0.30 -0.51 4.01 3.80 1siyA2 GLY 8 HA3 0.01 0.10 0.25 -0.51 4.01 3.86 1siyA2 ASN 9 H 0.02 0.47 -0.57 -0.55 8.53 7.90 1siyA2 ASN 9 HA 0.02 0.02 0.36 -0.75 4.76 4.40 1siyA2 ASN 9 HB2 0.03 0.02 0.04 -0.04 2.88 2.93 1siyA2 ASN 9 HB3 0.03 0.11 0.15 -0.04 2.79 3.04 1siyA2 ASN 9 HD21 0.04 -0.01 -0.25 -0.04 7.03 6.77 1siyA2 ASN 9 HD22 0.04 0.00 -0.13 -0.04 7.74 7.61 1siyA2 LEU 10 H 0.02 0.26 -0.02 -0.55 8.37 8.08 1siyA2 LEU 10 HA 0.04 0.10 0.36 -0.75 4.35 4.10 1siyA2 LEU 10 HB2 0.03 0.05 0.07 -0.04 1.64 1.74 1siyA2 LEU 10 HB3 0.03 -0.01 -0.06 -0.04 1.64 1.57 1siyA2 LEU 10 HG 0.04 0.01 -0.11 -0.04 1.64 1.55 1siyA2 LEU 10 HD13 0.03 -0.02 -0.03 -0.04 0.93 0.87 1siyA2 LEU 10 HD23 0.03 0.02 -0.21 -0.04 0.89 0.69 1siyA2 ALA 11 H 0.02 0.87 0.07 -0.55 8.40 8.81 1siyA2 ALA 11 HA 0.02 0.02 0.25 -0.75 4.34 3.87 1siyA2 ALA 11 HB3 0.01 0.01 0.00 -0.04 1.41 1.40 1siyA2 GLN 12 H 0.02 0.25 -0.62 -0.55 8.47 7.57 1siyA2 GLN 12 HA 0.02 0.12 0.55 -0.75 4.36 4.29 1siyA2 GLN 12 HB2 0.01 0.09 0.07 -0.04 2.15 2.28 1siyA2 GLN 12 HB3 0.01 -0.10 0.08 -0.04 2.02 1.97 1siyA2 GLN 12 HG2 0.01 -0.04 -0.06 -0.04 2.40 2.27 1siyA2 GLN 12 HG3 0.01 0.18 0.00 -0.04 2.39 2.55 1siyA2 GLN 12 HE21 0.01 0.40 0.22 -0.04 6.97 7.55 1siyA2 GLN 12 HE22 0.00 0.01 0.09 -0.04 7.69 7.74 1siyA2 CYS 13 H 0.04 0.42 -0.13 -0.55 8.50 8.28 1siyA2 CYS 13 HA 0.09 0.12 0.90 -0.75 4.58 4.93 1siyA2 CYS 13 HB2 0.06 0.15 0.11 -0.04 2.97 3.24 1siyA2 CYS 13 HB3 0.15 -0.01 0.09 -0.04 2.97 3.16 1siyA2 ILE 14 H 0.05 0.43 -0.14 -0.55 8.25 8.04 1siyA2 ILE 14 HA 0.04 0.04 0.42 -0.75 4.18 3.93 1siyA2 ILE 14 HB 0.03 0.11 -0.00 -0.04 1.89 1.99 1siyA2 ILE 14 HG12 0.02 -0.03 -0.09 -0.04 1.49 1.36 1siyA2 ILE 14 HG13 0.03 0.24 -0.39 -0.04 1.21 1.05 1siyA2 ILE 14 HG23 0.01 -0.00 -0.13 -0.04 0.93 0.77 1siyA2 ILE 14 HD13 0.02 -0.00 -0.08 -0.04 0.88 0.77 1siyA2 GLY 15 H 0.06 0.17 -0.47 -0.55 8.43 7.65 1siyA2 GLY 15 HA2 0.03 0.09 0.37 -0.51 4.01 4.00 1siyA2 GLY 15 HA3 0.06 0.06 0.22 -0.51 4.01 3.84 1siyA2 PHE 16 H 0.20 0.10 -0.15 -0.55 8.34 7.94 1siyA2 PHE 16 HA 0.00 -0.10 0.32 -0.75 4.62 4.08 1siyA2 PHE 16 HB2 0.00 -0.05 -0.07 -0.04 3.15 2.99 1siyA2 PHE 16 HB3 0.00 0.04 0.08 -0.04 3.06 3.14 1siyA2 PHE 16 HD2 0.00 -0.06 -0.36 -0.04 7.28 6.82 1siyA2 PHE 16 HE2 0.00 0.10 -0.09 -0.04 7.38 7.36 1siyA2 PHE 16 HZ -0.00 -0.02 -0.08 -0.04 7.32 7.18 1siyA2 LEU 17 H 0.16 0.69 -0.17 -0.55 8.37 8.50 1siyA2 LEU 17 HA -0.17 -0.02 0.39 -0.75 4.35 3.80 1siyA2 LEU 17 HB2 0.05 -0.02 0.28 -0.04 1.64 1.91 1siyA2 LEU 17 HB3 -0.01 -0.03 -0.01 -0.04 1.64 1.55 1siyA2 LEU 17 HG 0.02 -0.04 -0.13 -0.04 1.64 1.45 1siyA2 LEU 17 HD13 0.18 0.01 -0.23 -0.04 0.93 0.85 1siyA2 LEU 17 HD23 0.05 -0.04 -0.24 -0.04 0.89 0.62 1siyA2 GLN 18 H -0.03 0.57 -0.29 -0.55 8.47 8.17 1siyA2 GLN 18 HA -0.05 0.23 0.60 -0.75 4.36 4.38 1siyA2 GLN 18 HB2 -0.01 -0.02 0.27 -0.04 2.15 2.35 1siyA2 GLN 18 HB3 -0.02 -0.07 0.06 -0.04 2.02 1.94 1siyA2 GLN 18 HG2 -0.02 -0.04 -0.06 -0.04 2.40 2.24 1siyA2 GLN 18 HG3 -0.01 0.24 0.07 -0.04 2.39 2.66 1siyA2 GLN 18 HE21 -0.00 -0.05 -0.03 -0.04 6.97 6.85 1siyA2 GLN 18 HE22 -0.00 -0.01 -0.04 -0.04 7.69 7.59 1siyA2 LYS 19 H -0.03 0.49 0.07 -0.55 8.42 8.39 1siyA2 LYS 19 HA -0.08 0.17 0.79 -0.75 4.32 4.45 1siyA2 LYS 19 HB2 -0.03 -0.04 -0.22 -0.04 1.87 1.54 1siyA2 LYS 19 HB3 -0.01 -0.08 0.20 -0.04 1.79 1.85 1siyA2 LYS 19 HG2 -0.02 -0.04 0.00 -0.04 1.46 1.36 1siyA2 LYS 19 HG3 -0.04 0.12 0.11 -0.04 1.46 1.61 1siyA2 LYS 19 HD2 -0.01 -0.06 0.01 -0.04 1.69 1.59 1siyA2 LYS 19 HD3 -0.02 -0.04 0.01 -0.04 1.68 1.60 1siyA2 LYS 19 HE2 -0.02 0.00 -0.07 -0.04 2.99 2.86 1siyA2 LYS 19 HE3 -0.02 -0.07 -0.00 -0.04 2.99 2.86 1siyA2 GLY 20 H -0.10 0.43 0.12 -0.55 8.43 8.33 1siyA2 GLY 20 HA2 0.06 0.16 0.75 -0.51 4.01 4.48 1siyA2 GLY 20 HA3 0.16 -0.12 0.21 -0.51 4.01 3.75 1siyA2 GLY 21 H 0.16 0.01 0.14 -0.55 8.43 8.19 1siyA2 GLY 21 HA2 0.16 0.27 0.96 -0.51 4.01 4.90 1siyA2 GLY 21 HA3 0.09 0.01 0.28 -0.51 4.01 3.87 1siyA2 VAL 22 H 0.07 0.02 0.19 -0.55 8.24 7.98 1siyA2 VAL 22 HA -0.05 0.23 0.93 -0.75 4.13 4.48 1siyA2 VAL 22 HB -0.00 0.04 -0.05 -0.04 2.12 2.07 1siyA2 VAL 22 HG13 0.01 -0.02 0.06 -0.04 0.97 0.98 1siyA2 VAL 22 HG23 -0.04 0.01 -0.18 -0.04 0.95 0.70 1siyA2 VAL 23 H -0.21 0.20 0.12 -0.55 8.24 7.80 1siyA2 VAL 23 HA -0.22 0.13 0.76 -0.75 4.13 4.05 1siyA2 VAL 23 HB -0.24 0.01 0.13 -0.04 2.12 1.98 1siyA2 VAL 23 HG13 -0.16 0.00 -0.15 -0.04 0.97 0.62 1siyA2 VAL 23 HG23 -0.81 0.01 -0.06 -0.04 0.95 0.05 1siyA2 PRO 24 HA -0.04 0.20 0.48 -0.51 4.44 4.58 1siyA2 PRO 24 HB2 -0.02 -0.20 0.10 -0.04 2.28 2.12 1siyA2 PRO 24 HB3 -0.02 0.13 0.13 -0.04 2.02 2.23 1siyA2 PRO 24 HG2 -0.02 -0.26 0.19 -0.04 2.03 1.90 1siyA2 PRO 24 HG3 -0.01 0.16 0.16 -0.04 2.03 2.30 1siyA2 PRO 24 HD2 -0.07 0.05 0.26 -0.04 3.68 3.88 1siyA2 PRO 24 HD3 -0.04 0.40 0.36 -0.04 3.65 4.33 1siyA2 PRO 25 HA -0.03 0.13 0.38 -0.51 4.44 4.42 1siyA2 PRO 25 HB2 -0.02 0.02 -0.01 -0.04 2.28 2.24 1siyA2 PRO 25 HB3 -0.02 0.10 0.11 -0.04 2.02 2.17 1siyA2 PRO 25 HG2 -0.02 0.05 0.08 -0.04 2.03 2.11 1siyA2 PRO 25 HG3 -0.03 0.12 0.10 -0.04 2.03 2.18 1siyA2 PRO 25 HD2 -0.02 0.07 0.22 -0.04 3.68 3.91 1siyA2 PRO 25 HD3 -0.03 0.25 0.26 -0.04 3.65 4.09 1siyA2 SER 26 H -0.02 0.04 -0.57 -0.55 8.46 7.36 1siyA2 SER 26 HA -0.01 0.14 0.44 -0.75 4.49 4.31 1siyA2 SER 26 HB2 -0.01 -0.07 0.10 -0.04 3.95 3.92 1siyA2 SER 26 HB3 -0.00 0.07 0.02 -0.04 3.93 3.97 1siyA2 CYS 27 H -0.02 0.11 -0.04 -0.55 8.50 8.00 1siyA2 CYS 27 HA -0.00 0.10 0.50 -0.75 4.58 4.42 1siyA2 CYS 27 HB2 -0.00 -0.00 -0.01 -0.04 2.97 2.91 1siyA2 CYS 27 HB3 -0.03 0.17 0.14 -0.04 2.97 3.21 1siyA2 CYS 28 H -0.03 0.51 -0.27 -0.55 8.50 8.16 1siyA2 CYS 28 HA -0.03 0.00 0.29 -0.75 4.58 4.09 1siyA2 CYS 28 HB2 -0.03 -0.07 0.09 -0.04 2.97 2.91 1siyA2 CYS 28 HB3 -0.03 0.06 -0.04 -0.04 2.97 2.92 1siyA2 THR 29 H -0.01 0.38 -0.46 -0.55 8.28 7.63 1siyA2 THR 29 HA -0.01 0.03 0.46 -0.75 4.39 4.12 1siyA2 THR 29 HB -0.00 0.20 0.20 -0.04 4.32 4.67 1siyA2 THR 29 HG23 -0.00 -0.03 -0.06 -0.04 1.22 1.09 1siyA2 GLY 30 H -0.00 0.42 -0.25 -0.55 8.43 8.05 1siyA2 GLY 30 HA2 0.01 0.01 0.34 -0.51 4.01 3.85 1siyA2 GLY 30 HA3 0.01 0.20 0.26 -0.51 4.01 3.96 1siyA2 VAL 31 H -0.00 0.49 -0.14 -0.55 8.24 8.04 1siyA2 VAL 31 HA 0.02 0.00 0.50 -0.75 4.13 3.89 1siyA2 VAL 31 HB -0.01 0.16 0.08 -0.04 2.12 2.30 1siyA2 VAL 31 HG13 -0.01 -0.02 -0.12 -0.04 0.97 0.77 1siyA2 VAL 31 HG23 -0.00 0.08 -0.06 -0.04 0.95 0.92 1siyA2 LYS 32 H -0.01 0.66 -0.14 -0.55 8.42 8.38 1siyA2 LYS 32 HA -0.00 -0.01 0.43 -0.75 4.32 3.99 1siyA2 LYS 32 HB2 -0.00 0.14 0.12 -0.04 1.87 2.09 1siyA2 LYS 32 HB3 -0.00 -0.06 0.10 -0.04 1.79 1.79 1siyA2 LYS 32 HG2 -0.01 -0.04 -0.01 -0.04 1.46 1.36 1siyA2 LYS 32 HG3 -0.01 0.29 0.08 -0.04 1.46 1.78 1siyA2 LYS 32 HD2 -0.01 -0.04 -0.04 -0.04 1.69 1.56 1siyA2 LYS 32 HD3 -0.01 -0.03 0.00 -0.04 1.68 1.60 1siyA2 LYS 32 HE2 -0.02 0.17 -0.03 -0.04 2.99 3.07 1siyA2 LYS 32 HE3 -0.02 -0.07 -0.06 -0.04 2.99 2.79 1siyA2 ASN 33 H 0.01 0.21 -0.79 -0.55 8.53 7.41 1siyA2 ASN 33 HA 0.01 0.01 0.61 -0.75 4.76 4.64 1siyA2 ASN 33 HB2 0.01 0.19 0.19 -0.04 2.88 3.22 1siyA2 ASN 33 HB3 0.01 -0.06 -0.08 -0.04 2.79 2.62 1siyA2 ASN 33 HD21 0.00 -0.05 -0.15 -0.04 7.03 6.79 1siyA2 ASN 33 HD22 0.01 -0.05 -0.09 -0.04 7.74 7.56 1siyA2 ILE 34 H 0.02 0.62 0.03 -0.55 8.25 8.37 1siyA2 ILE 34 HA 0.03 -0.03 0.29 -0.75 4.18 3.72 1siyA2 ILE 34 HB 0.05 0.08 0.13 -0.04 1.89 2.11 1siyA2 ILE 34 HG12 0.03 0.20 0.08 -0.04 1.49 1.76 1siyA2 ILE 34 HG13 0.03 -0.03 0.09 -0.04 1.21 1.26 1siyA2 ILE 34 HG23 0.08 -0.02 -0.11 -0.04 0.93 0.83 1siyA2 ILE 34 HD13 0.02 -0.05 -0.16 -0.04 0.88 0.66 1siyA2 LEU 35 H 0.03 0.51 -0.34 -0.55 8.37 8.03 1siyA2 LEU 35 HA 0.09 0.07 0.58 -0.75 4.35 4.34 1siyA2 LEU 35 HB2 0.00 0.06 0.11 -0.04 1.64 1.77 1siyA2 LEU 35 HB3 -0.00 0.07 -0.03 -0.04 1.64 1.63 1siyA2 LEU 35 HG -0.02 -0.03 -0.04 -0.04 1.64 1.50 1siyA2 LEU 35 HD13 0.01 -0.03 -0.11 -0.04 0.93 0.76 1siyA2 LEU 35 HD23 -0.12 -0.00 -0.13 -0.04 0.89 0.60 1siyA2 ASN 36 H 0.01 0.24 0.01 -0.55 8.53 8.25 1siyA2 ASN 36 HA 0.01 0.05 0.39 -0.75 4.76 4.47 1siyA2 ASN 36 HB2 0.00 0.26 0.26 -0.04 2.88 3.36 1siyA2 ASN 36 HB3 0.00 -0.06 0.04 -0.04 2.79 2.74 1siyA2 ASN 36 HD21 -0.00 -0.03 0.03 -0.04 7.03 6.99 1siyA2 ASN 36 HD22 -0.01 0.01 0.03 -0.04 7.74 7.74 1siyA2 SER 37 H 0.01 0.35 0.14 -0.55 8.46 8.42 1siyA2 SER 37 HA 0.01 0.06 0.26 -0.75 4.49 4.06 1siyA2 SER 37 HB2 0.01 -0.05 0.15 -0.04 3.95 4.02 1siyA2 SER 37 HB3 0.01 -0.09 0.12 -0.04 3.93 3.93 1siyA2 SER 38 H 0.02 0.18 -0.88 -0.55 8.46 7.23 1siyA2 SER 38 HA 0.02 -0.12 0.53 -0.75 4.49 4.16 1siyA2 SER 38 HB2 0.04 0.39 0.02 -0.04 3.95 4.36 1siyA2 SER 38 HB3 0.03 0.07 -0.00 -0.04 3.93 3.99 1siyA2 ARG 39 H 0.01 0.06 0.18 -0.55 8.46 8.16 1siyA2 ARG 39 HA 0.01 0.12 0.20 -0.75 4.34 3.91 1siyA2 ARG 39 HB2 0.00 -0.09 0.12 -0.04 1.90 1.89 1siyA2 ARG 39 HB3 0.00 -0.01 0.05 -0.04 1.80 1.80 1siyA2 ARG 39 HG2 0.01 -0.00 0.16 -0.04 1.67 1.79 1siyA2 ARG 39 HG3 0.00 -0.02 0.06 -0.04 1.67 1.67 1siyA2 ARG 39 HD2 0.00 -0.04 0.05 -0.04 3.22 3.19 1siyA2 ARG 39 HD3 0.01 0.15 0.05 -0.04 3.22 3.39 1siyA2 THR 40 H 0.01 0.09 -0.22 -0.55 8.28 7.61 1siyA2 THR 40 HA 0.01 0.28 0.62 -0.75 4.39 4.54 1siyA2 THR 40 HB 0.00 0.25 -0.00 -0.04 4.32 4.53 1siyA2 THR 40 HG23 0.00 -0.04 -0.18 -0.04 1.22 0.96 1siyA2 THR 41 H 0.01 0.28 0.20 -0.55 8.28 8.21 1siyA2 THR 41 HA 0.01 0.14 0.70 -0.75 4.39 4.48 1siyA2 THR 41 HB 0.00 -0.04 0.12 -0.04 4.32 4.36 1siyA2 THR 41 HG23 0.00 0.01 0.01 -0.04 1.22 1.20 1siyA2 ALA 42 H 0.00 0.10 -0.14 -0.55 8.40 7.82 1siyA2 ALA 42 HA -0.01 0.16 0.51 -0.75 4.34 4.25 1siyA2 ALA 42 HB3 -0.00 0.03 0.05 -0.04 1.41 1.45 1siyA2 ASP 43 H 0.00 0.18 -0.82 -0.55 8.40 7.21 1siyA2 ASP 43 HA -0.00 0.21 0.84 -0.75 4.63 4.91 1siyA2 ASP 43 HB2 0.00 -0.01 0.04 -0.04 2.71 2.70 1siyA2 ASP 43 HB3 0.01 0.10 0.11 -0.04 2.70 2.88 1siyA2 ARG 44 H 0.00 0.46 0.23 -0.55 8.46 8.60 1siyA2 ARG 44 HA 0.00 0.09 0.38 -0.75 4.34 4.05 1siyA2 ARG 44 HB2 0.01 -0.01 0.27 -0.04 1.90 2.13 1siyA2 ARG 44 HB3 0.02 -0.03 0.08 -0.04 1.80 1.82 1siyA2 ARG 44 HG2 0.04 0.13 0.06 -0.04 1.67 1.86 1siyA2 ARG 44 HG3 0.02 0.14 -0.06 -0.04 1.67 1.73 1siyA2 ARG 44 HD2 0.03 0.11 -0.08 -0.04 3.22 3.23 1siyA2 ARG 44 HD3 0.02 -0.09 -0.06 -0.04 3.22 3.05 1siyA2 ARG 45 H -0.02 0.60 -0.14 -0.55 8.46 8.34 1siyA2 ARG 45 HA -0.07 0.17 0.50 -0.75 4.34 4.18 1siyA2 ARG 45 HB2 -0.02 -0.06 0.05 -0.04 1.90 1.83 1siyA2 ARG 45 HB3 -0.03 -0.02 0.01 -0.04 1.80 1.72 1siyA2 ARG 45 HG2 -0.03 0.01 -0.12 -0.04 1.67 1.49 1siyA2 ARG 45 HG3 -0.02 0.19 0.05 -0.04 1.67 1.85 1siyA2 ARG 45 HD2 -0.02 0.07 -0.16 -0.04 3.22 3.07 1siyA2 ARG 45 HD3 -0.01 0.05 -0.09 -0.04 3.22 3.13 1siyA2 ALA 46 H -0.03 0.19 -0.38 -0.55 8.40 7.64 1siyA2 ALA 46 HA -0.03 0.05 0.36 -0.75 4.34 3.96 1siyA2 ALA 46 HB3 -0.01 0.04 0.09 -0.04 1.41 1.48 1siyA2 VAL 47 H -0.02 0.93 -0.00 -0.55 8.24 8.59 1siyA2 VAL 47 HA -0.01 -0.12 0.33 -0.75 4.13 3.57 1siyA2 VAL 47 HB -0.00 0.06 0.09 -0.04 2.12 2.22 1siyA2 VAL 47 HG13 -0.00 0.05 0.01 -0.04 0.97 0.98 1siyA2 VAL 47 HG23 0.01 -0.05 -0.00 -0.04 0.95 0.87 1siyA2 CYS 48 H -0.09 0.43 -0.43 -0.55 8.50 7.87 1siyA2 CYS 48 HA -0.15 0.05 0.51 -0.75 4.58 4.23 1siyA2 CYS 48 HB2 -0.43 0.08 0.12 -0.04 2.97 2.70 1siyA2 CYS 48 HB3 -0.24 0.11 0.19 -0.04 2.97 2.99 1siyA2 SER 49 H -0.08 0.59 -0.05 -0.55 8.46 8.37 1siyA2 SER 49 HA -0.06 0.08 0.48 -0.75 4.49 4.24 1siyA2 SER 49 HB2 -0.04 0.11 0.13 -0.04 3.95 4.11 1siyA2 SER 49 HB3 -0.03 -0.04 0.07 -0.04 3.93 3.89 1siyA2 CYS 50 H -0.04 0.51 -0.32 -0.55 8.50 8.10 1siyA2 CYS 50 HA -0.01 0.16 0.81 -0.75 4.58 4.78 1siyA2 CYS 50 HB2 -0.01 0.18 0.07 -0.04 2.97 3.16 1siyA2 CYS 50 HB3 -0.01 -0.05 0.01 -0.04 2.97 2.87 1siyA2 LEU 51 H -0.03 0.25 -0.40 -0.55 8.37 7.65 1siyA2 LEU 51 HA 0.01 -0.05 0.46 -0.75 4.35 4.02 1siyA2 LEU 51 HB2 0.00 0.20 0.25 -0.04 1.64 2.05 1siyA2 LEU 51 HB3 -0.03 0.31 0.28 -0.04 1.64 2.16 1siyA2 LEU 51 HG 0.05 -0.04 -0.19 -0.04 1.64 1.42 1siyA2 LEU 51 HD13 0.05 -0.03 0.01 -0.04 0.93 0.92 1siyA2 LEU 51 HD23 0.16 0.01 -0.11 -0.04 0.89 0.91 1siyA2 LYS 52 H -0.02 0.43 -0.27 -0.55 8.42 8.00 1siyA2 LYS 52 HA 0.01 0.13 0.23 -0.75 4.32 3.94 1siyA2 LYS 52 HB2 -0.00 -0.01 0.02 -0.04 1.87 1.83 1siyA2 LYS 52 HB3 -0.01 0.08 -0.02 -0.04 1.79 1.80 1siyA2 LYS 52 HG2 -0.03 -0.00 0.05 -0.04 1.46 1.44 1siyA2 LYS 52 HG3 -0.01 -0.04 -0.14 -0.04 1.46 1.23 1siyA2 LYS 52 HD2 -0.01 0.07 0.09 -0.04 1.69 1.79 1siyA2 LYS 52 HD3 -0.03 0.25 0.12 -0.04 1.68 1.99 1siyA2 LYS 52 HE2 -0.03 -0.15 0.10 -0.04 2.99 2.87 1siyA2 LYS 52 HE3 -0.04 -0.13 0.19 -0.04 2.99 2.97 1siyA2 ALA 53 H -0.00 0.21 -0.86 -0.55 8.40 7.20 1siyA2 ALA 53 HA 0.00 0.19 0.88 -0.75 4.34 4.66 1siyA2 ALA 53 HB3 -0.00 0.04 0.07 -0.04 1.41 1.47 1siyA2 ALA 54 H 0.01 0.54 0.11 -0.55 8.40 8.51 1siyA2 ALA 54 HA 0.01 0.05 0.48 -0.75 4.34 4.12 1siyA2 ALA 54 HB3 0.01 0.01 0.11 -0.04 1.41 1.51 1siyA2 ALA 55 H 0.02 0.76 -0.06 -0.55 8.40 8.57 1siyA2 ALA 55 HA 0.02 0.09 0.65 -0.75 4.34 4.35 1siyA2 ALA 55 HB3 0.03 0.01 0.07 -0.04 1.41 1.48 1siyA2 GLY 56 H 0.01 0.13 -0.99 -0.55 8.43 7.03 1siyA2 GLY 56 HA2 0.01 0.14 0.92 -0.51 4.01 4.57 1siyA2 GLY 56 HA3 0.01 0.22 0.28 -0.51 4.01 4.00 1siyA2 ALA 57 H 0.01 0.44 0.01 -0.55 8.40 8.30 1siyA2 ALA 57 HA 0.00 0.09 0.55 -0.75 4.34 4.22 1siyA2 ALA 57 HB3 0.00 -0.01 0.11 -0.04 1.41 1.47 1siyA2 VAL 58 H 0.00 -0.00 -0.74 -0.55 8.24 6.96 1siyA2 VAL 58 HA 0.00 0.08 0.37 -0.75 4.13 3.82 1siyA2 VAL 58 HB -0.00 -0.11 -0.11 -0.04 2.12 1.86 1siyA2 VAL 58 HG13 0.01 0.05 -0.04 -0.04 0.97 0.95 1siyA2 VAL 58 HG23 0.00 -0.02 -0.27 -0.04 0.95 0.62 1siyA2 ARG 59 H -0.00 0.26 0.12 -0.55 8.46 8.28 1siyA2 ARG 59 HA -0.01 0.09 0.66 -0.75 4.34 4.32 1siyA2 ARG 59 HB2 -0.00 0.01 0.15 -0.04 1.90 2.01 1siyA2 ARG 59 HB3 -0.01 -0.01 0.05 -0.04 1.80 1.80 1siyA2 ARG 59 HG2 -0.00 -0.03 -0.02 -0.04 1.67 1.58 1siyA2 ARG 59 HG3 -0.00 0.15 -0.11 -0.04 1.67 1.67 1siyA2 ARG 59 HD2 -0.00 0.01 -0.11 -0.04 3.22 3.07 1siyA2 ARG 59 HD3 -0.00 0.05 -0.38 -0.04 3.22 2.85 1siyA2 GLY 60 H -0.01 0.14 0.08 -0.55 8.43 8.09 1siyA2 GLY 60 HA2 -0.02 0.04 0.32 -0.51 4.01 3.84 1siyA2 GLY 60 HA3 -0.02 0.22 0.76 -0.51 4.01 4.46 1siyA2 ILE 61 H -0.02 -0.10 -0.32 -0.55 8.25 7.26 1siyA2 ILE 61 HA -0.04 0.33 0.35 -0.75 4.18 4.06 1siyA2 ILE 61 HB -0.01 -0.14 -0.12 -0.04 1.89 1.59 1siyA2 ILE 61 HG12 0.01 -0.02 -0.10 -0.04 1.49 1.34 1siyA2 ILE 61 HG13 -0.01 0.04 -0.13 -0.04 1.21 1.07 1siyA2 ILE 61 HG23 0.00 -0.02 -0.35 -0.04 0.93 0.52 1siyA2 ILE 61 HD13 -0.01 -0.01 -0.27 -0.04 0.88 0.55 1siyA2 ASN 62 H -0.02 -0.12 -0.06 -0.55 8.53 7.78 1siyA2 ASN 62 HA -0.02 0.05 0.40 -0.75 4.76 4.44 1siyA2 ASN 62 HB2 -0.06 0.42 0.15 -0.04 2.88 3.34 1siyA2 ASN 62 HB3 -0.03 -0.14 0.08 -0.04 2.79 2.66 1siyA2 ASN 62 HD21 -0.03 -0.03 0.00 -0.04 7.03 6.92 1siyA2 ASN 62 HD22 -0.03 0.01 -0.02 -0.04 7.74 7.66 1siyA2 PRO 63 HA 0.02 0.11 0.26 -0.51 4.44 4.31 1siyA2 PRO 63 HB2 0.02 0.01 -0.05 -0.04 2.28 2.21 1siyA2 PRO 63 HB3 0.02 0.19 0.09 -0.04 2.02 2.27 1siyA2 PRO 63 HG2 0.01 0.04 0.07 -0.04 2.03 2.11 1siyA2 PRO 63 HG3 0.01 0.17 0.11 -0.04 2.03 2.27 1siyA2 PRO 63 HD2 -0.00 0.11 0.18 -0.04 3.68 3.93 1siyA2 PRO 63 HD3 -0.00 0.12 0.22 -0.04 3.65 3.95 1siyA2 ASN 64 H -0.00 0.13 -0.40 -0.55 8.53 7.71 1siyA2 ASN 64 HA 0.02 0.07 0.49 -0.75 4.76 4.58 1siyA2 ASN 64 HB2 -0.01 0.06 0.02 -0.04 2.88 2.91 1siyA2 ASN 64 HB3 0.01 0.06 -0.01 -0.04 2.79 2.80 1siyA2 ASN 64 HD21 0.00 0.04 -0.00 -0.04 7.03 7.03 1siyA2 ASN 64 HD22 0.00 0.00 0.00 -0.04 7.74 7.70 1siyA2 ASN 65 H -0.01 0.50 -0.14 -0.55 8.53 8.34 1siyA2 ASN 65 HA 0.13 0.05 0.46 -0.75 4.76 4.65 1siyA2 ASN 65 HB2 -0.07 0.30 0.19 -0.04 2.88 3.26 1siyA2 ASN 65 HB3 -0.20 -0.10 -0.03 -0.04 2.79 2.42 1siyA2 ASN 65 HD21 -0.72 0.05 0.05 -0.04 7.03 6.36 1siyA2 ASN 65 HD22 -0.42 -0.06 0.05 -0.04 7.74 7.27 1siyA2 ALA 66 H 0.04 0.18 -0.30 -0.55 8.40 7.78 1siyA2 ALA 66 HA 0.09 0.07 0.36 -0.75 4.34 4.11 1siyA2 ALA 66 HB3 0.04 0.02 0.04 -0.04 1.41 1.47 1siyA2 GLU 67 H 0.05 0.57 -0.17 -0.55 8.60 8.50 1siyA2 GLU 67 HA 0.03 0.11 0.75 -0.75 4.29 4.43 1siyA2 GLU 67 HB2 0.02 -0.01 0.10 -0.04 2.09 2.16 1siyA2 GLU 67 HB3 0.03 -0.09 0.07 -0.04 1.99 1.96 1siyA2 GLU 67 HG2 0.03 0.14 0.15 -0.04 2.34 2.62 1siyA2 GLU 67 HG3 0.03 0.09 -0.20 -0.04 2.34 2.22 1siyA2 ALA 68 H 0.09 0.20 -0.49 -0.55 8.40 7.66 1siyA2 ALA 68 HA 0.05 0.05 0.57 -0.75 4.34 4.25 1siyA2 ALA 68 HB3 0.19 0.07 0.12 -0.04 1.41 1.74 1siyA2 LEU 69 H 0.08 0.29 -0.42 -0.55 8.37 7.77 1siyA2 LEU 69 HA -0.07 0.00 0.28 -0.75 4.35 3.81 1siyA2 LEU 69 HB2 0.06 0.06 0.08 -0.04 1.64 1.81 1siyA2 LEU 69 HB3 0.04 0.25 0.11 -0.04 1.64 2.00 1siyA2 LEU 69 HG -0.01 -0.03 -0.25 -0.04 1.64 1.31 1siyA2 LEU 69 HD13 -0.06 -0.03 -0.09 -0.04 0.93 0.71 1siyA2 LEU 69 HD23 0.03 0.01 -0.07 -0.04 0.89 0.82 1siyA2 PRO 70 HA -0.03 0.02 0.29 -0.51 4.44 4.21 1siyA2 PRO 70 HB2 -0.06 -0.01 -0.06 -0.04 2.28 2.11 1siyA2 PRO 70 HB3 -0.05 0.02 0.04 -0.04 2.02 1.99 1siyA2 PRO 70 HG2 -0.01 0.24 0.01 -0.04 2.03 2.22 1siyA2 PRO 70 HG3 -0.01 0.02 0.05 -0.04 2.03 2.05 1siyA2 PRO 70 HD2 0.02 -0.02 -0.36 -0.04 3.68 3.28 1siyA2 PRO 70 HD3 0.01 0.16 0.11 -0.04 3.65 3.89 1siyA2 GLY 71 H -0.01 0.27 -0.82 -0.55 8.43 7.32 1siyA2 GLY 71 HA2 -0.02 0.00 0.53 -0.51 4.01 4.01 1siyA2 GLY 71 HA3 -0.01 0.11 0.28 -0.51 4.01 3.88 1siyA2 LYS 72 H -0.04 0.48 -0.01 -0.55 8.42 8.30 1siyA2 LYS 72 HA -0.05 0.07 0.51 -0.75 4.32 4.09 1siyA2 LYS 72 HB2 -0.10 0.02 0.11 -0.04 1.87 1.86 1siyA2 LYS 72 HB3 -0.09 -0.04 0.06 -0.04 1.79 1.67 1siyA2 LYS 72 HG2 -0.10 0.35 0.09 -0.04 1.46 1.76 1siyA2 LYS 72 HG3 -0.22 -0.11 0.01 -0.04 1.46 1.10 1siyA2 LYS 72 HD2 -0.04 -0.02 -0.07 -0.04 1.69 1.51 1siyA2 LYS 72 HD3 -0.05 -0.02 -0.01 -0.04 1.68 1.56 1siyA2 LYS 72 HE2 -0.06 0.02 0.07 -0.04 2.99 2.98 1siyA2 LYS 72 HE3 -0.04 -0.01 0.02 -0.04 2.99 2.92 1siyA2 CYS 73 H -0.05 0.41 -0.11 -0.55 8.50 8.21 1siyA2 CYS 73 HA -0.04 0.06 0.32 -0.75 4.58 4.17 1siyA2 CYS 73 HB2 -0.03 -0.03 -0.05 -0.04 2.97 2.81 1siyA2 CYS 73 HB3 -0.03 0.02 0.04 -0.04 2.97 2.96 1siyA2 GLY 74 H -0.03 0.14 -0.71 -0.55 8.43 7.28 1siyA2 GLY 74 HA2 -0.03 0.00 0.32 -0.51 4.01 3.79 1siyA2 GLY 74 HA3 -0.03 0.07 0.29 -0.51 4.01 3.83 1siyA2 VAL 75 H -0.04 0.32 0.00 -0.55 8.24 7.97 1siyA2 VAL 75 HA -0.03 0.24 0.69 -0.75 4.13 4.28 1siyA2 VAL 75 HB -0.05 0.00 -0.06 -0.04 2.12 1.97 1siyA2 VAL 75 HG13 -0.02 0.02 -0.12 -0.04 0.97 0.80 1siyA2 VAL 75 HG23 -0.05 -0.02 -0.10 -0.04 0.95 0.74 1siyA2 ASN 76 H -0.04 0.04 -0.25 -0.55 8.53 7.73 1siyA2 ASN 76 HA -0.05 -0.01 0.26 -0.75 4.76 4.21 1siyA2 ASN 76 HB2 -0.03 0.00 -0.11 -0.04 2.88 2.70 1siyA2 ASN 76 HB3 -0.03 0.15 0.06 -0.04 2.79 2.92 1siyA2 ASN 76 HD21 -0.02 0.02 -0.00 -0.04 7.03 6.99 1siyA2 ASN 76 HD22 -0.02 -0.03 -0.03 -0.04 7.74 7.62 1siyA2 ILE 77 H -0.09 0.05 -0.06 -0.55 8.25 7.60 1siyA2 ILE 77 HA -0.23 0.21 0.35 -0.75 4.18 3.75 1siyA2 ILE 77 HB -0.19 -0.05 -0.06 -0.04 1.89 1.55 1siyA2 ILE 77 HG12 -0.60 -0.02 -0.16 -0.04 1.49 0.66 1siyA2 ILE 77 HG13 -0.86 0.02 -0.04 -0.04 1.21 0.29 1siyA2 ILE 77 HG23 -0.11 -0.00 0.05 -0.04 0.93 0.83 1siyA2 ILE 77 HD13 -0.24 -0.02 -0.13 -0.04 0.88 0.44 1siyA2 PRO 78 HA -0.04 0.10 0.42 -0.51 4.44 4.41 1siyA2 PRO 78 HB2 0.08 -0.05 -0.02 -0.04 2.28 2.25 1siyA2 PRO 78 HB3 0.01 0.02 0.10 -0.04 2.02 2.11 1siyA2 PRO 78 HG2 0.03 -0.04 0.07 -0.04 2.03 2.05 1siyA2 PRO 78 HG3 -0.03 0.14 0.10 -0.04 2.03 2.19 1siyA2 PRO 78 HD2 -0.48 0.01 0.16 -0.04 3.68 3.34 1siyA2 PRO 78 HD3 -0.19 0.32 0.33 -0.04 3.65 4.07 1siyA2 TYR 79 H -0.50 0.08 -0.34 -0.55 8.29 6.97 1siyA2 TYR 79 HA 0.00 0.20 0.76 -0.75 4.56 4.78 1siyA2 TYR 79 HB2 0.00 -0.06 0.14 -0.04 3.06 3.10 1siyA2 TYR 79 HB3 0.00 0.02 -0.10 -0.04 2.98 2.86 1siyA2 TYR 79 HD2 0.00 0.03 -0.22 -0.04 7.15 6.92 1siyA2 TYR 79 HE2 0.00 0.01 -0.09 -0.04 6.85 6.73 1siyA2 LYS 80 H 0.27 0.22 0.13 -0.55 8.42 8.48 1siyA2 LYS 80 HA 0.09 0.23 0.73 -0.75 4.32 4.61 1siyA2 LYS 80 HB2 0.07 0.02 -0.04 -0.04 1.87 1.87 1siyA2 LYS 80 HB3 0.06 -0.14 0.08 -0.04 1.79 1.74 1siyA2 LYS 80 HG2 0.03 0.08 -0.48 -0.04 1.46 1.05 1siyA2 LYS 80 HG3 0.03 -0.01 -0.08 -0.04 1.46 1.35 1siyA2 LYS 80 HD2 0.02 -0.10 0.06 -0.04 1.69 1.63 1siyA2 LYS 80 HD3 0.01 0.11 0.21 -0.04 1.68 1.96 1siyA2 LYS 80 HE2 -0.01 0.03 0.03 -0.04 2.99 3.00 1siyA2 LYS 80 HE3 -0.02 0.12 -0.03 -0.04 2.99 3.02 1siyA2 ILE 81 H 0.07 0.17 0.04 -0.55 8.25 7.99 1siyA2 ILE 81 HA 0.08 0.20 0.48 -0.75 4.18 4.19 1siyA2 ILE 81 HB 0.05 0.02 0.08 -0.04 1.89 2.00 1siyA2 ILE 81 HG12 0.05 -0.01 -0.24 -0.04 1.49 1.25 1siyA2 ILE 81 HG13 0.05 -0.06 -0.04 -0.04 1.21 1.12 1siyA2 ILE 81 HG23 0.08 0.01 -0.13 -0.04 0.93 0.85 1siyA2 ILE 81 HD13 0.03 0.05 -0.19 -0.04 0.88 0.73 1siyA2 SER 82 H 0.05 -0.02 -0.62 -0.55 8.46 7.34 1siyA2 SER 82 HA 0.02 0.06 0.38 -0.75 4.49 4.19 1siyA2 SER 82 HB2 0.02 -0.01 -0.19 -0.04 3.95 3.73 1siyA2 SER 82 HB3 0.02 0.01 -0.01 -0.04 3.93 3.92 1siyA2 THR 83 H 0.01 0.10 0.14 -0.55 8.28 7.99 1siyA2 THR 83 HA 0.01 0.22 0.35 -0.75 4.39 4.21 1siyA2 THR 83 HB 0.00 -0.07 0.08 -0.04 4.32 4.29 1siyA2 THR 83 HG23 0.00 0.03 0.04 -0.04 1.22 1.25 1siyA2 SER 84 H 0.01 0.03 -0.27 -0.55 8.46 7.68 1siyA2 SER 84 HA 0.00 0.19 0.77 -0.75 4.49 4.69 1siyA2 SER 84 HB2 0.00 0.00 0.03 -0.04 3.95 3.95 1siyA2 SER 84 HB3 0.01 -0.02 0.15 -0.04 3.93 4.02 1siyA2 THR 85 H -0.00 0.50 -0.35 -0.55 8.28 7.88 1siyA2 THR 85 HA 0.01 0.03 0.45 -0.75 4.39 4.12 1siyA2 THR 85 HB 0.01 0.19 -0.01 -0.04 4.32 4.47 1siyA2 THR 85 HG23 0.03 -0.04 -0.11 -0.04 1.22 1.06 1siyA2 ASN 86 H -0.01 0.14 0.05 -0.55 8.53 8.17 1siyA2 ASN 86 HA -0.03 0.15 0.70 -0.75 4.76 4.83 1siyA2 ASN 86 HB2 -0.02 0.00 0.10 -0.04 2.88 2.93 1siyA2 ASN 86 HB3 -0.01 0.06 0.10 -0.04 2.79 2.89 1siyA2 ASN 86 HD21 -0.00 0.03 0.08 -0.04 7.03 7.10 1siyA2 ASN 86 HD22 -0.00 0.03 0.04 -0.04 7.74 7.76 1siyA2 CYS 87 H -0.05 0.25 0.17 -0.55 8.50 8.31 1siyA2 CYS 87 HA -0.09 0.17 0.82 -0.75 4.58 4.74 1siyA2 CYS 87 HB2 -0.11 0.07 0.09 -0.04 2.97 2.98 1siyA2 CYS 87 HB3 -0.19 0.03 0.16 -0.04 2.97 2.93 1siyA2 ASN 88 H -0.03 0.05 -0.25 -0.55 8.53 7.75 1siyA2 ASN 88 HA -0.03 0.13 0.37 -0.75 4.76 4.47 1siyA2 ASN 88 HB2 -0.02 -0.01 0.07 -0.04 2.88 2.88 1siyA2 ASN 88 HB3 -0.02 -0.02 0.01 -0.04 2.79 2.72 1siyA2 ASN 88 HD21 -0.01 -0.02 -0.20 -0.04 7.03 6.76 1siyA2 ASN 88 HD22 -0.01 0.01 -0.04 -0.04 7.74 7.66 1siyA2 SER 89 H -0.02 -0.06 -0.54 -0.55 8.46 7.29 1siyA2 SER 89 HA -0.01 0.25 0.89 -0.75 4.49 4.87 1siyA2 SER 89 HB2 -0.00 -0.15 0.12 -0.04 3.95 3.88 1siyA2 SER 89 HB3 -0.00 0.10 0.02 -0.04 3.93 4.00 1siyA2 ILE 90 H -0.00 0.03 0.04 -0.55 8.25 7.76 1siyA2 ILE 90 HA 0.02 0.04 0.27 -0.75 4.18 3.77 1siyA2 ILE 90 HB 0.04 -0.09 0.14 -0.04 1.89 1.94 1siyA2 ILE 90 HG12 -0.04 0.02 -0.68 -0.04 1.49 0.75 1siyA2 ILE 90 HG13 -0.01 0.15 -0.12 -0.04 1.21 1.18 1siyA2 ILE 90 HG23 -0.05 -0.01 0.04 -0.04 0.93 0.87 1siyA2 ILE 90 HD13 -0.12 -0.02 -0.16 -0.04 0.88 0.54 1siyA2 ASN 91 H 0.04 0.07 0.06 -0.55 8.53 8.15 1siyA2 ASN 91 HA 0.02 0.14 0.24 -0.75 4.76 4.40 1siyA2 ASN 91 HB2 0.02 0.20 -0.03 -0.04 2.88 3.04 1siyA2 ASN 91 HB3 0.04 -0.02 -0.08 -0.04 2.79 2.69 1siyA2 ASN 91 HD21 0.02 0.00 -0.00 -0.04 7.03 7.01 1siyA2 ASN 91 HD22 0.02 -0.01 0.02 -0.04 7.74 7.72