============================================================================= 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 -9.884 6.426 -2.341 -99.200 -91.000 TYR 79 0.840 2.860 -6.344 -4.638 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1siyA7 MET 1 HA 0.00 -0.12 0.27 -0.75 4.52 3.92 1siyA7 MET 1 HB2 0.00 -0.06 0.12 -0.04 2.15 2.17 1siyA7 MET 1 HB3 -0.00 0.03 0.05 -0.04 2.03 2.07 1siyA7 MET 1 HG2 -0.01 0.01 -0.07 -0.04 2.63 2.52 1siyA7 MET 1 HG3 -0.00 -0.04 -0.55 -0.04 2.56 1.93 1siyA7 MET 1 HE3 -0.01 -0.05 -0.47 -0.04 2.10 1.53 1siyA7 THR 2 H 0.00 0.17 0.24 -0.55 8.28 8.14 1siyA7 THR 2 HA -0.00 0.25 0.26 -0.75 4.39 4.14 1siyA7 THR 2 HB 0.00 -0.01 0.18 -0.04 4.32 4.45 1siyA7 THR 2 HG23 0.00 0.09 -0.00 -0.04 1.22 1.27 1siyA7 CYS 3 H -0.00 0.31 0.12 -0.55 8.50 8.39 1siyA7 CYS 3 HA 0.00 0.12 0.59 -0.75 4.58 4.53 1siyA7 CYS 3 HB2 -0.00 0.04 0.13 -0.04 2.97 3.10 1siyA7 CYS 3 HB3 0.00 0.06 0.05 -0.04 2.97 3.04 1siyA7 GLY 4 H 0.00 -0.14 -0.85 -0.55 8.43 6.90 1siyA7 GLY 4 HA2 0.00 0.23 0.79 -0.51 4.01 4.53 1siyA7 GLY 4 HA3 0.00 0.13 0.21 -0.51 4.01 3.84 1siyA7 GLN 5 H 0.00 -0.01 -0.04 -0.55 8.47 7.89 1siyA7 GLN 5 HA 0.01 0.16 0.55 -0.75 4.36 4.33 1siyA7 GLN 5 HB2 0.01 0.03 0.13 -0.04 2.15 2.27 1siyA7 GLN 5 HB3 0.01 -0.00 0.22 -0.04 2.02 2.21 1siyA7 GLN 5 HG2 0.01 0.02 -0.21 -0.04 2.40 2.18 1siyA7 GLN 5 HG3 0.01 0.04 0.01 -0.04 2.39 2.41 1siyA7 GLN 5 HE21 0.01 -0.02 -0.08 -0.04 6.97 6.84 1siyA7 GLN 5 HE22 0.01 -0.05 0.04 -0.04 7.69 7.65 1siyA7 VAL 6 H 0.01 0.36 -0.08 -0.55 8.24 7.97 1siyA7 VAL 6 HA 0.02 0.13 0.42 -0.75 4.13 3.94 1siyA7 VAL 6 HB 0.01 0.04 -0.02 -0.04 2.12 2.11 1siyA7 VAL 6 HG13 0.01 -0.00 -0.08 -0.04 0.97 0.85 1siyA7 VAL 6 HG23 0.00 0.08 0.11 -0.04 0.95 1.11 1siyA7 GLN 7 H 0.01 0.06 -0.69 -0.55 8.47 7.30 1siyA7 GLN 7 HA 0.01 -0.01 0.32 -0.75 4.36 3.93 1siyA7 GLN 7 HB2 0.01 0.19 0.22 -0.04 2.15 2.53 1siyA7 GLN 7 HB3 0.01 0.19 0.12 -0.04 2.02 2.29 1siyA7 GLN 7 HG2 0.01 -0.03 -0.08 -0.04 2.40 2.26 1siyA7 GLN 7 HG3 0.01 -0.03 0.08 -0.04 2.39 2.40 1siyA7 GLN 7 HE21 0.00 0.01 -0.01 -0.04 6.97 6.94 1siyA7 GLN 7 HE22 0.01 -0.01 0.00 -0.04 7.69 7.65 1siyA7 GLY 8 H 0.01 0.32 -0.68 -0.55 8.43 7.53 1siyA7 GLY 8 HA2 0.01 0.01 0.34 -0.51 4.01 3.87 1siyA7 GLY 8 HA3 0.01 0.11 0.25 -0.51 4.01 3.87 1siyA7 ASN 9 H 0.02 0.42 -0.42 -0.55 8.53 8.00 1siyA7 ASN 9 HA 0.02 0.02 0.48 -0.75 4.76 4.53 1siyA7 ASN 9 HB2 0.02 0.10 -0.03 -0.04 2.88 2.94 1siyA7 ASN 9 HB3 0.03 0.10 0.17 -0.04 2.79 3.05 1siyA7 ASN 9 HD21 0.04 0.04 0.02 -0.04 7.03 7.09 1siyA7 ASN 9 HD22 0.04 -0.01 -0.03 -0.04 7.74 7.70 1siyA7 LEU 10 H 0.02 0.37 0.01 -0.55 8.37 8.23 1siyA7 LEU 10 HA 0.03 0.01 0.18 -0.75 4.35 3.82 1siyA7 LEU 10 HB2 0.02 0.02 0.12 -0.04 1.64 1.75 1siyA7 LEU 10 HB3 0.02 0.02 -0.04 -0.04 1.64 1.60 1siyA7 LEU 10 HG 0.02 0.00 -0.03 -0.04 1.64 1.59 1siyA7 LEU 10 HD13 0.03 0.00 -0.08 -0.04 0.93 0.84 1siyA7 LEU 10 HD23 0.02 -0.02 -0.03 -0.04 0.89 0.82 1siyA7 ALA 11 H 0.02 0.80 -0.09 -0.55 8.40 8.59 1siyA7 ALA 11 HA 0.02 0.01 0.22 -0.75 4.34 3.83 1siyA7 ALA 11 HB3 0.01 0.00 0.04 -0.04 1.41 1.42 1siyA7 GLN 12 H 0.02 0.33 -0.45 -0.55 8.47 7.83 1siyA7 GLN 12 HA 0.02 0.13 0.64 -0.75 4.36 4.39 1siyA7 GLN 12 HB2 0.02 0.11 0.14 -0.04 2.15 2.38 1siyA7 GLN 12 HB3 0.01 -0.16 0.06 -0.04 2.02 1.89 1siyA7 GLN 12 HG2 0.01 -0.04 -0.08 -0.04 2.40 2.25 1siyA7 GLN 12 HG3 0.01 0.16 0.02 -0.04 2.39 2.54 1siyA7 GLN 12 HE21 0.01 0.63 0.21 -0.04 6.97 7.78 1siyA7 GLN 12 HE22 0.01 -0.02 0.00 -0.04 7.69 7.63 1siyA7 CYS 13 H 0.04 0.41 -0.04 -0.55 8.50 8.36 1siyA7 CYS 13 HA 0.08 0.07 0.60 -0.75 4.58 4.58 1siyA7 CYS 13 HB2 0.06 0.07 -0.02 -0.04 2.97 3.04 1siyA7 CYS 13 HB3 0.11 -0.05 0.02 -0.04 2.97 3.01 1siyA7 ILE 14 H 0.04 0.64 -0.08 -0.55 8.25 8.30 1siyA7 ILE 14 HA 0.03 -0.02 0.28 -0.75 4.18 3.71 1siyA7 ILE 14 HB 0.02 0.13 -0.00 -0.04 1.89 2.00 1siyA7 ILE 14 HG12 0.01 -0.05 -0.04 -0.04 1.49 1.36 1siyA7 ILE 14 HG13 0.02 0.06 -0.03 -0.04 1.21 1.23 1siyA7 ILE 14 HG23 0.01 -0.01 -0.17 -0.04 0.93 0.73 1siyA7 ILE 14 HD13 0.01 -0.01 -0.13 -0.04 0.88 0.71 1siyA7 GLY 15 H 0.05 0.19 -0.57 -0.55 8.43 7.55 1siyA7 GLY 15 HA2 0.03 0.07 0.45 -0.51 4.01 4.05 1siyA7 GLY 15 HA3 0.06 0.07 0.32 -0.51 4.01 3.95 1siyA7 PHE 16 H 0.20 0.15 0.02 -0.55 8.34 8.15 1siyA7 PHE 16 HA 0.00 0.28 0.27 -0.75 4.62 4.41 1siyA7 PHE 16 HB2 0.00 0.13 0.02 -0.04 3.15 3.26 1siyA7 PHE 16 HB3 0.00 0.02 0.10 -0.04 3.06 3.14 1siyA7 PHE 16 HD2 0.00 -0.15 -0.15 -0.04 7.28 6.93 1siyA7 PHE 16 HE2 0.00 0.14 -0.13 -0.04 7.38 7.35 1siyA7 PHE 16 HZ 0.00 -0.00 -0.11 -0.04 7.32 7.17 1siyA7 LEU 17 H 0.12 0.60 -0.26 -0.55 8.37 8.27 1siyA7 LEU 17 HA -0.16 -0.11 0.22 -0.75 4.35 3.55 1siyA7 LEU 17 HB2 0.04 0.07 0.06 -0.04 1.64 1.77 1siyA7 LEU 17 HB3 -0.01 0.01 -0.16 -0.04 1.64 1.44 1siyA7 LEU 17 HG 0.01 -0.09 -0.15 -0.04 1.64 1.36 1siyA7 LEU 17 HD13 0.12 0.01 -0.26 -0.04 0.93 0.76 1siyA7 LEU 17 HD23 0.03 -0.02 -0.23 -0.04 0.89 0.63 1siyA7 GLN 18 H -0.04 0.43 -0.46 -0.55 8.47 7.86 1siyA7 GLN 18 HA -0.06 0.09 0.78 -0.75 4.36 4.42 1siyA7 GLN 18 HB2 -0.02 -0.06 0.08 -0.04 2.15 2.12 1siyA7 GLN 18 HB3 -0.02 -0.02 0.22 -0.04 2.02 2.15 1siyA7 GLN 18 HG2 -0.03 0.01 -0.06 -0.04 2.40 2.29 1siyA7 GLN 18 HG3 -0.02 0.01 -0.19 -0.04 2.39 2.15 1siyA7 GLN 18 HE21 -0.00 0.05 -0.03 -0.04 6.97 6.94 1siyA7 GLN 18 HE22 -0.00 -0.08 -0.02 -0.04 7.69 7.55 1siyA7 LYS 19 H -0.04 0.77 0.19 -0.55 8.42 8.79 1siyA7 LYS 19 HA -0.06 0.16 0.97 -0.75 4.32 4.64 1siyA7 LYS 19 HB2 0.00 -0.02 0.17 -0.04 1.87 1.99 1siyA7 LYS 19 HB3 -0.00 -0.05 0.02 -0.04 1.79 1.72 1siyA7 LYS 19 HG2 -0.00 -0.07 0.01 -0.04 1.46 1.35 1siyA7 LYS 19 HG3 -0.02 0.06 0.03 -0.04 1.46 1.49 1siyA7 LYS 19 HD2 -0.02 -0.03 -0.59 -0.04 1.69 1.01 1siyA7 LYS 19 HD3 -0.01 -0.05 -0.02 -0.04 1.68 1.56 1siyA7 LYS 19 HE2 -0.02 0.05 -0.02 -0.04 2.99 2.96 1siyA7 LYS 19 HE3 -0.01 0.01 -0.02 -0.04 2.99 2.92 1siyA7 GLY 20 H -0.16 0.22 -0.05 -0.55 8.43 7.89 1siyA7 GLY 20 HA2 -0.28 -0.04 0.50 -0.51 4.01 3.68 1siyA7 GLY 20 HA3 -0.28 -0.01 0.32 -0.51 4.01 3.53 1siyA7 GLY 21 H 0.41 0.08 0.20 -0.55 8.43 8.57 1siyA7 GLY 21 HA2 0.11 0.13 0.65 -0.51 4.01 4.39 1siyA7 GLY 21 HA3 0.09 0.03 0.30 -0.51 4.01 3.92 1siyA7 VAL 22 H 0.14 0.23 0.20 -0.55 8.24 8.27 1siyA7 VAL 22 HA -0.01 0.20 0.95 -0.75 4.13 4.52 1siyA7 VAL 22 HB 0.02 0.06 -0.10 -0.04 2.12 2.05 1siyA7 VAL 22 HG13 0.04 -0.01 0.03 -0.04 0.97 0.98 1siyA7 VAL 22 HG23 -0.01 -0.00 -0.14 -0.04 0.95 0.76 1siyA7 VAL 23 H -0.12 0.22 0.11 -0.55 8.24 7.90 1siyA7 VAL 23 HA -0.10 0.19 0.98 -0.75 4.13 4.45 1siyA7 VAL 23 HB -0.23 0.03 0.09 -0.04 2.12 1.97 1siyA7 VAL 23 HG13 -0.16 0.00 -0.16 -0.04 0.97 0.61 1siyA7 VAL 23 HG23 -0.89 0.00 -0.11 -0.04 0.95 -0.09 1siyA7 PRO 24 HA -0.02 0.21 0.59 -0.51 4.44 4.71 1siyA7 PRO 24 HB2 -0.00 -0.21 0.11 -0.04 2.28 2.13 1siyA7 PRO 24 HB3 -0.00 0.13 0.14 -0.04 2.02 2.25 1siyA7 PRO 24 HG2 0.00 -0.18 0.21 -0.04 2.03 2.02 1siyA7 PRO 24 HG3 0.02 0.17 0.18 -0.04 2.03 2.36 1siyA7 PRO 24 HD2 -0.01 0.06 0.32 -0.04 3.68 4.01 1siyA7 PRO 24 HD3 0.01 0.31 0.19 -0.04 3.65 4.12 1siyA7 PRO 25 HA -0.03 0.13 0.37 -0.51 4.44 4.40 1siyA7 PRO 25 HB2 -0.01 0.02 -0.00 -0.04 2.28 2.25 1siyA7 PRO 25 HB3 -0.02 0.09 0.12 -0.04 2.02 2.17 1siyA7 PRO 25 HG2 -0.01 0.05 0.10 -0.04 2.03 2.13 1siyA7 PRO 25 HG3 -0.02 0.12 0.11 -0.04 2.03 2.20 1siyA7 PRO 25 HD2 -0.01 0.07 0.23 -0.04 3.68 3.93 1siyA7 PRO 25 HD3 -0.02 0.27 0.32 -0.04 3.65 4.17 1siyA7 SER 26 H -0.01 0.04 -0.60 -0.55 8.46 7.35 1siyA7 SER 26 HA -0.00 0.15 0.48 -0.75 4.49 4.37 1siyA7 SER 26 HB2 0.00 -0.05 0.08 -0.04 3.95 3.94 1siyA7 SER 26 HB3 0.00 0.07 0.01 -0.04 3.93 3.97 1siyA7 CYS 27 H -0.00 0.09 -0.06 -0.55 8.50 7.99 1siyA7 CYS 27 HA 0.01 0.09 0.49 -0.75 4.58 4.41 1siyA7 CYS 27 HB2 0.02 0.07 -0.29 -0.04 2.97 2.72 1siyA7 CYS 27 HB3 -0.01 0.19 0.19 -0.04 2.97 3.30 1siyA7 CYS 28 H -0.02 0.50 -0.25 -0.55 8.50 8.19 1siyA7 CYS 28 HA -0.02 -0.00 0.25 -0.75 4.58 4.06 1siyA7 CYS 28 HB2 -0.03 -0.03 0.07 -0.04 2.97 2.94 1siyA7 CYS 28 HB3 -0.03 0.08 -0.01 -0.04 2.97 2.97 1siyA7 THR 29 H -0.01 0.33 -0.47 -0.55 8.28 7.58 1siyA7 THR 29 HA -0.00 0.04 0.48 -0.75 4.39 4.15 1siyA7 THR 29 HB -0.00 0.19 0.21 -0.04 4.32 4.68 1siyA7 THR 29 HG23 0.00 -0.03 -0.05 -0.04 1.22 1.10 1siyA7 GLY 30 H 0.00 0.48 -0.21 -0.55 8.43 8.16 1siyA7 GLY 30 HA2 0.01 0.01 0.35 -0.51 4.01 3.87 1siyA7 GLY 30 HA3 0.01 0.23 0.20 -0.51 4.01 3.93 1siyA7 VAL 31 H 0.01 0.56 -0.11 -0.55 8.24 8.16 1siyA7 VAL 31 HA 0.02 -0.00 0.50 -0.75 4.13 3.90 1siyA7 VAL 31 HB 0.00 0.15 0.04 -0.04 2.12 2.27 1siyA7 VAL 31 HG13 0.02 -0.02 -0.14 -0.04 0.97 0.78 1siyA7 VAL 31 HG23 0.01 0.09 -0.07 -0.04 0.95 0.94 1siyA7 LYS 32 H 0.00 0.65 -0.16 -0.55 8.42 8.36 1siyA7 LYS 32 HA 0.00 0.00 0.42 -0.75 4.32 3.98 1siyA7 LYS 32 HB2 -0.00 0.15 0.18 -0.04 1.87 2.16 1siyA7 LYS 32 HB3 -0.00 -0.07 0.06 -0.04 1.79 1.74 1siyA7 LYS 32 HG2 -0.01 -0.03 0.03 -0.04 1.46 1.42 1siyA7 LYS 32 HG3 -0.01 0.08 0.06 -0.04 1.46 1.55 1siyA7 LYS 32 HD2 -0.01 -0.02 -0.07 -0.04 1.69 1.54 1siyA7 LYS 32 HD3 -0.01 -0.07 0.01 -0.04 1.68 1.58 1siyA7 LYS 32 HE2 -0.02 0.23 0.03 -0.04 2.99 3.19 1siyA7 LYS 32 HE3 -0.01 -0.08 -0.00 -0.04 2.99 2.85 1siyA7 ASN 33 H 0.01 0.29 -0.62 -0.55 8.53 7.66 1siyA7 ASN 33 HA 0.01 -0.02 0.55 -0.75 4.76 4.55 1siyA7 ASN 33 HB2 0.01 0.18 0.21 -0.04 2.88 3.23 1siyA7 ASN 33 HB3 0.01 -0.05 -0.07 -0.04 2.79 2.64 1siyA7 ASN 33 HD21 0.01 -0.02 -0.02 -0.04 7.03 6.95 1siyA7 ASN 33 HD22 0.01 -0.03 -0.04 -0.04 7.74 7.64 1siyA7 ILE 34 H 0.02 0.59 -0.06 -0.55 8.25 8.26 1siyA7 ILE 34 HA 0.03 -0.02 0.26 -0.75 4.18 3.69 1siyA7 ILE 34 HB 0.03 0.12 0.19 -0.04 1.89 2.19 1siyA7 ILE 34 HG12 0.03 -0.01 0.10 -0.04 1.49 1.56 1siyA7 ILE 34 HG13 0.03 -0.08 0.03 -0.04 1.21 1.15 1siyA7 ILE 34 HG23 0.07 -0.01 -0.13 -0.04 0.93 0.82 1siyA7 ILE 34 HD13 0.02 0.01 -0.26 -0.04 0.88 0.60 1siyA7 LEU 35 H 0.03 0.27 -0.63 -0.55 8.37 7.49 1siyA7 LEU 35 HA 0.06 0.11 0.77 -0.75 4.35 4.53 1siyA7 LEU 35 HB2 0.01 0.04 0.11 -0.04 1.64 1.76 1siyA7 LEU 35 HB3 -0.00 0.03 -0.03 -0.04 1.64 1.60 1siyA7 LEU 35 HG -0.02 -0.02 -0.08 -0.04 1.64 1.48 1siyA7 LEU 35 HD13 0.02 -0.02 -0.21 -0.04 0.93 0.69 1siyA7 LEU 35 HD23 -0.04 -0.01 -0.15 -0.04 0.89 0.65 1siyA7 ASN 36 H 0.01 0.44 0.13 -0.55 8.53 8.57 1siyA7 ASN 36 HA 0.01 0.06 0.40 -0.75 4.76 4.48 1siyA7 ASN 36 HB2 0.00 0.15 0.20 -0.04 2.88 3.20 1siyA7 ASN 36 HB3 0.00 -0.04 0.02 -0.04 2.79 2.73 1siyA7 ASN 36 HD21 -0.00 -0.02 0.02 -0.04 7.03 6.98 1siyA7 ASN 36 HD22 -0.00 0.01 0.02 -0.04 7.74 7.72 1siyA7 SER 37 H 0.01 0.29 0.16 -0.55 8.46 8.38 1siyA7 SER 37 HA 0.01 0.05 0.31 -0.75 4.49 4.11 1siyA7 SER 37 HB2 0.01 -0.00 0.18 -0.04 3.95 4.10 1siyA7 SER 37 HB3 0.01 -0.08 0.11 -0.04 3.93 3.93 1siyA7 SER 38 H 0.02 0.16 -0.84 -0.55 8.46 7.25 1siyA7 SER 38 HA 0.02 -0.11 0.45 -0.75 4.49 4.10 1siyA7 SER 38 HB2 0.04 0.20 -0.10 -0.04 3.95 4.05 1siyA7 SER 38 HB3 0.03 0.15 -0.02 -0.04 3.93 4.05 1siyA7 ARG 39 H 0.01 0.07 0.21 -0.55 8.46 8.19 1siyA7 ARG 39 HA 0.01 0.15 0.20 -0.75 4.34 3.94 1siyA7 ARG 39 HB2 0.01 0.08 0.17 -0.04 1.90 2.11 1siyA7 ARG 39 HB3 0.01 -0.10 0.08 -0.04 1.80 1.74 1siyA7 ARG 39 HG2 0.00 -0.01 0.02 -0.04 1.67 1.64 1siyA7 ARG 39 HG3 0.00 -0.05 -0.01 -0.04 1.67 1.57 1siyA7 ARG 39 HD2 0.00 -0.04 0.04 -0.04 3.22 3.18 1siyA7 ARG 39 HD3 0.01 0.06 0.10 -0.04 3.22 3.35 1siyA7 THR 40 H 0.01 0.10 -0.24 -0.55 8.28 7.60 1siyA7 THR 40 HA 0.01 0.25 0.52 -0.75 4.39 4.42 1siyA7 THR 40 HB 0.01 0.35 -0.12 -0.04 4.32 4.51 1siyA7 THR 40 HG23 0.00 -0.08 -0.17 -0.04 1.22 0.93 1siyA7 THR 41 H 0.01 0.27 0.18 -0.55 8.28 8.19 1siyA7 THR 41 HA 0.01 0.15 0.62 -0.75 4.39 4.42 1siyA7 THR 41 HB 0.01 0.01 0.10 -0.04 4.32 4.39 1siyA7 THR 41 HG23 0.01 0.02 0.01 -0.04 1.22 1.21 1siyA7 ALA 42 H 0.00 0.14 -0.03 -0.55 8.40 7.96 1siyA7 ALA 42 HA -0.01 0.14 0.50 -0.75 4.34 4.21 1siyA7 ALA 42 HB3 -0.00 0.04 0.05 -0.04 1.41 1.45 1siyA7 ASP 43 H 0.00 0.01 -0.86 -0.55 8.40 7.01 1siyA7 ASP 43 HA -0.00 0.15 0.65 -0.75 4.63 4.68 1siyA7 ASP 43 HB2 0.01 0.02 0.06 -0.04 2.71 2.75 1siyA7 ASP 43 HB3 0.01 0.18 0.11 -0.04 2.70 2.96 1siyA7 ARG 44 H 0.01 0.47 0.08 -0.55 8.46 8.47 1siyA7 ARG 44 HA 0.01 0.09 0.35 -0.75 4.34 4.04 1siyA7 ARG 44 HB2 0.04 0.10 0.14 -0.04 1.90 2.13 1siyA7 ARG 44 HB3 0.01 0.05 0.24 -0.04 1.80 2.05 1siyA7 ARG 44 HG2 0.06 -0.08 -0.08 -0.04 1.67 1.53 1siyA7 ARG 44 HG3 -0.03 -0.02 -0.26 -0.04 1.67 1.32 1siyA7 ARG 44 HD2 0.37 -0.07 -0.01 -0.04 3.22 3.47 1siyA7 ARG 44 HD3 0.12 0.02 0.07 -0.04 3.22 3.39 1siyA7 ARG 45 H -0.02 0.70 -0.11 -0.55 8.46 8.47 1siyA7 ARG 45 HA -0.08 0.16 0.47 -0.75 4.34 4.15 1siyA7 ARG 45 HB2 -0.02 -0.03 0.08 -0.04 1.90 1.88 1siyA7 ARG 45 HB3 -0.03 -0.03 -0.01 -0.04 1.80 1.68 1siyA7 ARG 45 HG2 -0.03 0.07 0.05 -0.04 1.67 1.72 1siyA7 ARG 45 HG3 -0.02 0.21 0.06 -0.04 1.67 1.89 1siyA7 ARG 45 HD2 -0.01 -0.06 -0.01 -0.04 3.22 3.09 1siyA7 ARG 45 HD3 -0.02 0.02 -0.02 -0.04 3.22 3.17 1siyA7 ALA 46 H -0.02 0.27 -0.36 -0.55 8.40 7.74 1siyA7 ALA 46 HA -0.03 0.03 0.27 -0.75 4.34 3.86 1siyA7 ALA 46 HB3 -0.01 0.03 0.06 -0.04 1.41 1.45 1siyA7 VAL 47 H -0.02 0.88 -0.06 -0.55 8.24 8.49 1siyA7 VAL 47 HA -0.01 -0.08 0.40 -0.75 4.13 3.69 1siyA7 VAL 47 HB 0.00 0.00 0.08 -0.04 2.12 2.17 1siyA7 VAL 47 HG13 0.00 0.06 0.04 -0.04 0.97 1.03 1siyA7 VAL 47 HG23 0.02 -0.02 0.01 -0.04 0.95 0.92 1siyA7 CYS 48 H -0.08 0.49 -0.36 -0.55 8.50 8.00 1siyA7 CYS 48 HA -0.10 0.04 0.45 -0.75 4.58 4.22 1siyA7 CYS 48 HB2 -0.37 0.09 0.13 -0.04 2.97 2.78 1siyA7 CYS 48 HB3 -0.18 0.16 0.20 -0.04 2.97 3.11 1siyA7 SER 49 H -0.06 0.55 -0.07 -0.55 8.46 8.33 1siyA7 SER 49 HA -0.04 0.01 0.37 -0.75 4.49 4.08 1siyA7 SER 49 HB2 -0.03 0.08 0.14 -0.04 3.95 4.10 1siyA7 SER 49 HB3 -0.02 -0.03 0.03 -0.04 3.93 3.86 1siyA7 CYS 50 H -0.02 0.67 -0.22 -0.55 8.50 8.38 1siyA7 CYS 50 HA -0.01 0.08 0.61 -0.75 4.58 4.51 1siyA7 CYS 50 HB2 -0.01 -0.04 0.06 -0.04 2.97 2.94 1siyA7 CYS 50 HB3 -0.01 0.10 0.15 -0.04 2.97 3.18 1siyA7 LEU 51 H -0.01 0.74 -0.00 -0.55 8.37 8.55 1siyA7 LEU 51 HA 0.01 -0.03 0.35 -0.75 4.35 3.92 1siyA7 LEU 51 HB2 0.03 -0.07 0.09 -0.04 1.64 1.64 1siyA7 LEU 51 HB3 0.02 0.02 0.15 -0.04 1.64 1.79 1siyA7 LEU 51 HG -0.02 0.10 0.34 -0.04 1.64 2.01 1siyA7 LEU 51 HD13 0.03 -0.00 -0.21 -0.04 0.93 0.70 1siyA7 LEU 51 HD23 0.05 -0.01 -0.15 -0.04 0.89 0.73 1siyA7 LYS 52 H -0.02 0.62 -0.27 -0.55 8.42 8.20 1siyA7 LYS 52 HA 0.00 0.08 0.47 -0.75 4.32 4.12 1siyA7 LYS 52 HB2 -0.01 -0.04 0.06 -0.04 1.87 1.84 1siyA7 LYS 52 HB3 -0.02 0.07 0.06 -0.04 1.79 1.86 1siyA7 LYS 52 HG2 -0.02 0.15 0.12 -0.04 1.46 1.66 1siyA7 LYS 52 HG3 -0.01 -0.02 -0.21 -0.04 1.46 1.18 1siyA7 LYS 52 HD2 -0.02 0.03 -0.03 -0.04 1.69 1.63 1siyA7 LYS 52 HD3 -0.04 -0.06 -0.09 -0.04 1.68 1.45 1siyA7 LYS 52 HE2 -0.03 -0.11 0.01 -0.04 2.99 2.82 1siyA7 LYS 52 HE3 -0.03 -0.02 0.07 -0.04 2.99 2.98 1siyA7 ALA 53 H -0.01 0.31 -0.39 -0.55 8.40 7.77 1siyA7 ALA 53 HA -0.00 0.12 0.68 -0.75 4.34 4.38 1siyA7 ALA 53 HB3 -0.00 0.04 0.12 -0.04 1.41 1.52 1siyA7 ALA 54 H 0.00 0.45 -0.12 -0.55 8.40 8.18 1siyA7 ALA 54 HA 0.00 0.08 0.56 -0.75 4.34 4.23 1siyA7 ALA 54 HB3 0.01 0.03 0.10 -0.04 1.41 1.51 1siyA7 ALA 55 H 0.01 0.70 -0.03 -0.55 8.40 8.54 1siyA7 ALA 55 HA 0.01 0.00 0.49 -0.75 4.34 4.08 1siyA7 ALA 55 HB3 0.01 -0.00 0.13 -0.04 1.41 1.51 1siyA7 GLY 56 H 0.00 0.06 -0.93 -0.55 8.43 7.01 1siyA7 GLY 56 HA2 -0.00 0.12 0.91 -0.51 4.01 4.53 1siyA7 GLY 56 HA3 -0.00 0.08 0.36 -0.51 4.01 3.94 1siyA7 ALA 57 H 0.00 0.16 -0.30 -0.55 8.40 7.72 1siyA7 ALA 57 HA -0.00 0.11 0.69 -0.75 4.34 4.39 1siyA7 ALA 57 HB3 -0.00 -0.00 0.14 -0.04 1.41 1.51 1siyA7 VAL 58 H -0.00 0.04 -0.54 -0.55 8.24 7.18 1siyA7 VAL 58 HA -0.00 0.02 0.27 -0.75 4.13 3.66 1siyA7 VAL 58 HB -0.01 -0.21 -0.03 -0.04 2.12 1.82 1siyA7 VAL 58 HG13 -0.00 0.06 0.04 -0.04 0.97 1.03 1siyA7 VAL 58 HG23 -0.01 0.01 -0.05 -0.04 0.95 0.86 1siyA7 ARG 59 H -0.01 0.20 0.10 -0.55 8.46 8.20 1siyA7 ARG 59 HA -0.01 0.15 0.89 -0.75 4.34 4.62 1siyA7 ARG 59 HB2 -0.00 0.12 -0.01 -0.04 1.90 1.96 1siyA7 ARG 59 HB3 -0.00 -0.01 0.19 -0.04 1.80 1.94 1siyA7 ARG 59 HG2 -0.01 0.00 -0.14 -0.04 1.67 1.49 1siyA7 ARG 59 HG3 -0.01 -0.00 0.01 -0.04 1.67 1.63 1siyA7 ARG 59 HD2 -0.00 -0.01 0.03 -0.04 3.22 3.20 1siyA7 ARG 59 HD3 -0.00 -0.02 -0.00 -0.04 3.22 3.15 1siyA7 GLY 60 H -0.01 0.18 0.02 -0.55 8.43 8.07 1siyA7 GLY 60 HA2 -0.02 0.02 0.28 -0.51 4.01 3.79 1siyA7 GLY 60 HA3 -0.01 0.16 0.59 -0.51 4.01 4.23 1siyA7 ILE 61 H -0.02 -0.11 -0.30 -0.55 8.25 7.28 1siyA7 ILE 61 HA -0.04 0.21 0.50 -0.75 4.18 4.10 1siyA7 ILE 61 HB -0.02 -0.21 0.04 -0.04 1.89 1.65 1siyA7 ILE 61 HG12 -0.01 -0.10 -0.27 -0.04 1.49 1.07 1siyA7 ILE 61 HG13 -0.01 -0.01 -0.07 -0.04 1.21 1.08 1siyA7 ILE 61 HG23 -0.03 0.00 -0.39 -0.04 0.93 0.47 1siyA7 ILE 61 HD13 -0.01 0.03 -0.16 -0.04 0.88 0.69 1siyA7 ASN 62 H -0.03 -0.02 0.01 -0.55 8.53 7.95 1siyA7 ASN 62 HA -0.03 0.03 0.44 -0.75 4.76 4.46 1siyA7 ASN 62 HB2 -0.07 0.66 0.80 -0.04 2.88 4.22 1siyA7 ASN 62 HB3 -0.05 -0.22 0.17 -0.04 2.79 2.64 1siyA7 ASN 62 HD21 -0.05 0.13 0.06 -0.04 7.03 7.13 1siyA7 ASN 62 HD22 -0.03 -0.05 -0.02 -0.04 7.74 7.60 1siyA7 PRO 63 HA -0.01 0.08 0.39 -0.51 4.44 4.40 1siyA7 PRO 63 HB2 0.01 -0.01 -0.04 -0.04 2.28 2.19 1siyA7 PRO 63 HB3 0.01 0.12 0.14 -0.04 2.02 2.25 1siyA7 PRO 63 HG2 -0.00 0.03 0.09 -0.04 2.03 2.11 1siyA7 PRO 63 HG3 -0.00 0.30 0.18 -0.04 2.03 2.47 1siyA7 PRO 63 HD2 -0.01 0.11 0.21 -0.04 3.68 3.94 1siyA7 PRO 63 HD3 -0.01 0.12 0.27 -0.04 3.65 3.99 1siyA7 ASN 64 H -0.02 0.16 -0.38 -0.55 8.53 7.75 1siyA7 ASN 64 HA 0.00 0.06 0.52 -0.75 4.76 4.59 1siyA7 ASN 64 HB2 -0.02 0.01 0.07 -0.04 2.88 2.90 1siyA7 ASN 64 HB3 -0.04 0.09 0.01 -0.04 2.79 2.81 1siyA7 ASN 64 HD21 -0.01 0.01 -0.05 -0.04 7.03 6.95 1siyA7 ASN 64 HD22 -0.03 0.05 -0.04 -0.04 7.74 7.68 1siyA7 ASN 65 H -0.07 0.56 -0.20 -0.55 8.53 8.26 1siyA7 ASN 65 HA -0.07 0.07 0.43 -0.75 4.76 4.44 1siyA7 ASN 65 HB2 -0.23 0.20 0.12 -0.04 2.88 2.93 1siyA7 ASN 65 HB3 -0.86 -0.03 -0.13 -0.04 2.79 1.73 1siyA7 ASN 65 HD21 -0.25 0.74 0.07 -0.04 7.03 7.54 1siyA7 ASN 65 HD22 -0.21 -0.12 0.05 -0.04 7.74 7.42 1siyA7 ALA 66 H -0.00 0.11 -0.24 -0.55 8.40 7.72 1siyA7 ALA 66 HA 0.10 0.09 0.44 -0.75 4.34 4.21 1siyA7 ALA 66 HB3 0.03 0.03 0.07 -0.04 1.41 1.49 1siyA7 GLU 67 H 0.04 0.51 -0.27 -0.55 8.60 8.34 1siyA7 GLU 67 HA 0.05 0.07 0.72 -0.75 4.29 4.38 1siyA7 GLU 67 HB2 0.03 -0.05 0.08 -0.04 2.09 2.11 1siyA7 GLU 67 HB3 0.03 0.13 0.09 -0.04 1.99 2.20 1siyA7 GLU 67 HG2 0.03 0.09 0.02 -0.04 2.34 2.43 1siyA7 GLU 67 HG3 0.03 -0.16 0.17 -0.04 2.34 2.34 1siyA7 ALA 68 H 0.09 0.24 -0.36 -0.55 8.40 7.82 1siyA7 ALA 68 HA 0.07 0.07 0.62 -0.75 4.34 4.35 1siyA7 ALA 68 HB3 0.19 0.03 0.10 -0.04 1.41 1.69 1siyA7 LEU 69 H 0.16 0.18 -0.53 -0.55 8.37 7.63 1siyA7 LEU 69 HA 0.04 0.00 0.30 -0.75 4.35 3.93 1siyA7 LEU 69 HB2 0.20 0.10 0.13 -0.04 1.64 2.02 1siyA7 LEU 69 HB3 0.08 0.29 0.09 -0.04 1.64 2.07 1siyA7 LEU 69 HG 0.03 -0.05 -0.25 -0.04 1.64 1.32 1siyA7 LEU 69 HD13 0.03 -0.02 -0.06 -0.04 0.93 0.84 1siyA7 LEU 69 HD23 0.07 0.00 -0.07 -0.04 0.89 0.85 1siyA7 PRO 70 HA -0.01 0.03 0.30 -0.51 4.44 4.26 1siyA7 PRO 70 HB2 -0.01 0.13 -0.05 -0.04 2.28 2.31 1siyA7 PRO 70 HB3 -0.02 -0.12 0.11 -0.04 2.02 1.94 1siyA7 PRO 70 HG2 0.01 0.04 0.10 -0.04 2.03 2.14 1siyA7 PRO 70 HG3 0.02 0.02 0.04 -0.04 2.03 2.07 1siyA7 PRO 70 HD2 0.05 0.24 -0.61 -0.04 3.68 3.32 1siyA7 PRO 70 HD3 0.05 0.39 0.08 -0.04 3.65 4.13 1siyA7 GLY 71 H 0.01 0.28 -0.69 -0.55 8.43 7.48 1siyA7 GLY 71 HA2 -0.01 0.07 0.44 -0.51 4.01 4.00 1siyA7 GLY 71 HA3 -0.00 0.09 0.25 -0.51 4.01 3.84 1siyA7 LYS 72 H -0.04 0.42 -0.04 -0.55 8.42 8.21 1siyA7 LYS 72 HA -0.07 0.07 0.39 -0.75 4.32 3.95 1siyA7 LYS 72 HB2 -0.17 0.04 0.10 -0.04 1.87 1.79 1siyA7 LYS 72 HB3 -0.19 -0.04 0.03 -0.04 1.79 1.54 1siyA7 LYS 72 HG2 -0.10 0.28 -0.02 -0.04 1.46 1.58 1siyA7 LYS 72 HG3 -0.49 -0.07 -0.07 -0.04 1.46 0.80 1siyA7 LYS 72 HD2 -0.05 -0.02 -0.11 -0.04 1.69 1.46 1siyA7 LYS 72 HD3 -0.04 -0.01 -0.06 -0.04 1.68 1.54 1siyA7 LYS 72 HE2 -0.13 0.00 0.03 -0.04 2.99 2.85 1siyA7 LYS 72 HE3 -0.06 0.00 -0.02 -0.04 2.99 2.87 1siyA7 CYS 73 H -0.05 0.47 -0.18 -0.55 8.50 8.20 1siyA7 CYS 73 HA -0.04 0.11 0.47 -0.75 4.58 4.36 1siyA7 CYS 73 HB2 -0.02 -0.01 -0.05 -0.04 2.97 2.84 1siyA7 CYS 73 HB3 -0.03 0.02 0.10 -0.04 2.97 3.02 1siyA7 GLY 74 H -0.03 0.16 -0.93 -0.55 8.43 7.09 1siyA7 GLY 74 HA2 -0.02 0.07 0.24 -0.51 4.01 3.80 1siyA7 GLY 74 HA3 -0.02 -0.01 0.23 -0.51 4.01 3.69 1siyA7 VAL 75 H -0.02 0.56 -0.05 -0.55 8.24 8.18 1siyA7 VAL 75 HA -0.02 0.22 0.96 -0.75 4.13 4.54 1siyA7 VAL 75 HB -0.03 -0.02 -0.02 -0.04 2.12 2.01 1siyA7 VAL 75 HG13 -0.02 0.03 -0.12 -0.04 0.97 0.83 1siyA7 VAL 75 HG23 -0.02 -0.04 -0.09 -0.04 0.95 0.76 1siyA7 ASN 76 H -0.04 -0.01 0.04 -0.55 8.53 7.98 1siyA7 ASN 76 HA -0.06 -0.09 0.35 -0.75 4.76 4.21 1siyA7 ASN 76 HB2 -0.03 -0.05 -0.36 -0.04 2.88 2.40 1siyA7 ASN 76 HB3 -0.04 0.17 0.11 -0.04 2.79 2.99 1siyA7 ASN 76 HD21 -0.02 -0.01 -0.10 -0.04 7.03 6.86 1siyA7 ASN 76 HD22 -0.02 -0.02 -0.04 -0.04 7.74 7.62 1siyA7 ILE 77 H -0.15 0.18 0.14 -0.55 8.25 7.87 1siyA7 ILE 77 HA -0.14 0.23 0.80 -0.75 4.18 4.31 1siyA7 ILE 77 HB -0.45 -0.06 0.11 -0.04 1.89 1.45 1siyA7 ILE 77 HG12 -0.72 0.40 -0.12 -0.04 1.49 1.01 1siyA7 ILE 77 HG13 -1.52 -0.06 -0.10 -0.04 1.21 -0.51 1siyA7 ILE 77 HG23 -0.16 -0.00 -0.21 -0.04 0.93 0.51 1siyA7 ILE 77 HD13 -0.19 -0.06 -0.07 -0.04 0.88 0.53 1siyA7 PRO 78 HA -0.04 0.06 0.42 -0.51 4.44 4.37 1siyA7 PRO 78 HB2 0.02 -0.10 0.13 -0.04 2.28 2.28 1siyA7 PRO 78 HB3 0.00 0.04 0.09 -0.04 2.02 2.11 1siyA7 PRO 78 HG2 -0.01 0.04 0.11 -0.04 2.03 2.12 1siyA7 PRO 78 HG3 -0.03 0.07 0.09 -0.04 2.03 2.12 1siyA7 PRO 78 HD2 -0.18 0.05 0.21 -0.04 3.68 3.72 1siyA7 PRO 78 HD3 -0.10 0.19 0.19 -0.04 3.65 3.89 1siyA7 TYR 79 H -0.17 0.02 -0.06 -0.55 8.29 7.52 1siyA7 TYR 79 HA 0.00 0.10 0.58 -0.75 4.56 4.49 1siyA7 TYR 79 HB2 0.00 0.01 0.08 -0.04 3.06 3.11 1siyA7 TYR 79 HB3 0.00 -0.05 0.06 -0.04 2.98 2.95 1siyA7 TYR 79 HD2 0.00 0.04 -0.22 -0.04 7.15 6.94 1siyA7 TYR 79 HE2 0.00 -0.01 -0.10 -0.04 6.85 6.71 1siyA7 LYS 80 H 0.20 0.10 0.16 -0.55 8.42 8.32 1siyA7 LYS 80 HA 0.06 0.28 0.92 -0.75 4.32 4.82 1siyA7 LYS 80 HB2 0.06 -0.02 0.08 -0.04 1.87 1.95 1siyA7 LYS 80 HB3 0.04 -0.19 0.20 -0.04 1.79 1.80 1siyA7 LYS 80 HG2 0.03 0.09 -0.25 -0.04 1.46 1.29 1siyA7 LYS 80 HG3 0.02 -0.03 -0.01 -0.04 1.46 1.40 1siyA7 LYS 80 HD2 0.00 -0.09 0.06 -0.04 1.69 1.63 1siyA7 LYS 80 HD3 -0.02 0.28 -0.04 -0.04 1.68 1.85 1siyA7 LYS 80 HE2 -0.00 -0.09 -0.02 -0.04 2.99 2.83 1siyA7 LYS 80 HE3 -0.03 -0.04 0.00 -0.04 2.99 2.88 1siyA7 ILE 81 H 0.06 0.17 0.16 -0.55 8.25 8.09 1siyA7 ILE 81 HA 0.08 0.16 0.49 -0.75 4.18 4.17 1siyA7 ILE 81 HB 0.04 -0.02 -0.08 -0.04 1.89 1.79 1siyA7 ILE 81 HG12 0.06 -0.06 0.05 -0.04 1.49 1.49 1siyA7 ILE 81 HG13 0.06 0.35 -0.25 -0.04 1.21 1.32 1siyA7 ILE 81 HG23 0.04 -0.02 -0.04 -0.04 0.93 0.87 1siyA7 ILE 81 HD13 0.09 0.00 -0.14 -0.04 0.88 0.79 1siyA7 SER 82 H 0.05 -0.03 -0.13 -0.55 8.46 7.80 1siyA7 SER 82 HA 0.02 0.07 0.48 -0.75 4.49 4.31 1siyA7 SER 82 HB2 0.02 0.03 0.08 -0.04 3.95 4.05 1siyA7 SER 82 HB3 0.03 -0.03 0.05 -0.04 3.93 3.94 1siyA7 THR 83 H 0.01 0.15 0.14 -0.55 8.28 8.04 1siyA7 THR 83 HA 0.01 0.14 0.26 -0.75 4.39 4.04 1siyA7 THR 83 HB 0.00 0.02 0.24 -0.04 4.32 4.53 1siyA7 THR 83 HG23 0.00 0.02 0.06 -0.04 1.22 1.26 1siyA7 SER 84 H 0.02 0.36 -0.82 -0.55 8.46 7.47 1siyA7 SER 84 HA 0.01 0.21 0.79 -0.75 4.49 4.75 1siyA7 SER 84 HB2 0.01 0.01 0.03 -0.04 3.95 3.96 1siyA7 SER 84 HB3 0.01 -0.01 -0.09 -0.04 3.93 3.80 1siyA7 THR 85 H 0.02 0.23 0.07 -0.55 8.28 8.04 1siyA7 THR 85 HA 0.02 0.12 0.56 -0.75 4.39 4.33 1siyA7 THR 85 HB 0.06 -0.03 0.09 -0.04 4.32 4.39 1siyA7 THR 85 HG23 0.01 0.04 -0.02 -0.04 1.22 1.21 1siyA7 ASN 86 H -0.00 0.18 0.07 -0.55 8.53 8.23 1siyA7 ASN 86 HA -0.02 0.18 0.80 -0.75 4.76 4.97 1siyA7 ASN 86 HB2 -0.01 0.11 0.02 -0.04 2.88 2.96 1siyA7 ASN 86 HB3 -0.01 0.03 0.14 -0.04 2.79 2.91 1siyA7 ASN 86 HD21 -0.01 0.05 -0.05 -0.04 7.03 6.98 1siyA7 ASN 86 HD22 -0.01 0.05 -0.15 -0.04 7.74 7.59 1siyA7 CYS 87 H -0.05 0.36 0.05 -0.55 8.50 8.30 1siyA7 CYS 87 HA -0.14 0.06 0.26 -0.75 4.58 4.00 1siyA7 CYS 87 HB2 -0.07 0.02 0.01 -0.04 2.97 2.89 1siyA7 CYS 87 HB3 -0.12 0.12 0.14 -0.04 2.97 3.07 1siyA7 ASN 88 H -0.04 0.08 -0.42 -0.55 8.53 7.61 1siyA7 ASN 88 HA -0.03 0.12 0.45 -0.75 4.76 4.55 1siyA7 ASN 88 HB2 -0.02 0.02 -0.02 -0.04 2.88 2.82 1siyA7 ASN 88 HB3 -0.02 0.04 0.13 -0.04 2.79 2.90 1siyA7 ASN 88 HD21 -0.02 0.02 -0.01 -0.04 7.03 6.98 1siyA7 ASN 88 HD22 -0.02 0.01 -0.05 -0.04 7.74 7.64 1siyA7 SER 89 H -0.03 0.17 -0.68 -0.55 8.46 7.38 1siyA7 SER 89 HA -0.01 0.16 0.61 -0.75 4.49 4.50 1siyA7 SER 89 HB2 -0.01 0.00 -0.03 -0.04 3.95 3.87 1siyA7 SER 89 HB3 -0.00 -0.01 0.15 -0.04 3.93 4.03 1siyA7 ILE 90 H -0.04 0.12 -0.08 -0.55 8.25 7.70 1siyA7 ILE 90 HA 0.02 0.14 0.67 -0.75 4.18 4.25 1siyA7 ILE 90 HB 0.01 -0.12 0.08 -0.04 1.89 1.82 1siyA7 ILE 90 HG12 -0.10 0.34 0.16 -0.04 1.49 1.85 1siyA7 ILE 90 HG13 -0.06 -0.04 -0.32 -0.04 1.21 0.75 1siyA7 ILE 90 HG23 -0.12 0.05 -0.12 -0.04 0.93 0.69 1siyA7 ILE 90 HD13 -0.38 0.02 -0.09 -0.04 0.88 0.39 1siyA7 ASN 91 H 0.09 0.10 0.05 -0.55 8.53 8.22 1siyA7 ASN 91 HA 0.05 0.07 0.15 -0.75 4.76 4.27 1siyA7 ASN 91 HB2 0.02 0.28 -0.05 -0.04 2.88 3.09 1siyA7 ASN 91 HB3 0.03 0.00 -0.09 -0.04 2.79 2.69 1siyA7 ASN 91 HD21 0.02 0.06 0.07 -0.04 7.03 7.13 1siyA7 ASN 91 HD22 0.02 -0.04 0.03 -0.04 7.74 7.71