============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 8 1.000 2.113 1.076 -0.576 -99.200 -91.000 TYR 9 0.840 10.054 2.740 -4.113 -99.200 -91.000 PHE 11 1.000 -0.992 0.592 -6.699 -99.200 -91.000 PHE 15 1.000 -1.793 6.127 -6.802 -99.200 -91.000 PHE 22 1.000 -4.325 9.531 -2.616 -99.200 -91.000 HIS 28 0.900 9.145 11.605 4.488 -99.200 -91.000 PHE 35 1.000 17.043 -3.706 5.778 -99.200 -91.000 HIS 42 0.900 -0.300 -8.702 -2.098 -99.200 -91.000 TYR 48 0.840 4.974 -3.988 8.760 -99.200 -91.000 TYR 53 0.840 5.715 8.171 7.992 -99.200 -91.000 HIS 56 0.900 -5.551 12.331 10.698 -99.200 -91.000 TYR 69 0.840 -0.892 -3.809 -3.479 -99.200 -91.000 HIS 75 0.900 -12.502 -8.734 -8.749 -99.200 -91.000 HIS 76 0.900 -4.855 -9.734 -12.606 -99.200 -91.000 HIS 77 0.900 -7.436 -18.627 -9.252 -99.200 -91.000 HIS 78 0.900 -15.021 -16.021 -10.468 -99.200 -91.000 HIS 79 0.900 -10.317 -11.881 -15.706 -99.200 -91.000 HIS 80 0.900 -16.281 -12.399 -17.538 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2kvsA10 MET 1 HA -0.04 -0.09 0.20 -0.75 4.52 3.84 2kvsA10 MET 1 HB2 -0.06 0.02 0.02 -0.04 2.15 2.09 2kvsA10 MET 1 HB3 -0.09 -0.05 0.05 -0.04 2.03 1.90 2kvsA10 MET 1 HG2 -0.08 -0.01 -0.26 -0.04 2.63 2.25 2kvsA10 MET 1 HG3 -0.05 -0.01 -0.02 -0.04 2.56 2.44 2kvsA10 MET 1 HE3 -0.08 0.01 -0.02 -0.04 2.10 1.96 2kvsA10 ALA 2 H -0.04 0.15 0.06 -0.55 8.40 8.02 2kvsA10 ALA 2 HA -0.04 0.02 0.30 -0.75 4.34 3.87 2kvsA10 ALA 2 HB3 -0.09 0.04 0.02 -0.04 1.41 1.34 2kvsA10 GLY 3 H -0.04 0.10 -0.63 -0.55 8.43 7.32 2kvsA10 GLY 3 HA2 -0.03 -0.02 0.27 -0.51 4.01 3.71 2kvsA10 GLY 3 HA3 -0.05 0.20 0.81 -0.51 4.01 4.45 2kvsA10 ASP 4 H -0.08 0.44 -0.25 -0.55 8.40 7.95 2kvsA10 ASP 4 HA -0.04 -0.00 0.45 -0.75 4.63 4.28 2kvsA10 ASP 4 HB2 -0.12 0.01 0.10 -0.04 2.71 2.66 2kvsA10 ASP 4 HB3 -0.09 0.19 0.19 -0.04 2.70 2.94 2kvsA10 PRO 5 HA 0.02 0.20 0.38 -0.51 4.44 4.53 2kvsA10 PRO 5 HB2 0.06 -0.14 -0.02 -0.04 2.28 2.15 2kvsA10 PRO 5 HB3 0.04 0.09 0.10 -0.04 2.02 2.21 2kvsA10 PRO 5 HG2 0.02 -0.03 0.12 -0.04 2.03 2.10 2kvsA10 PRO 5 HG3 0.01 0.17 0.12 -0.04 2.03 2.29 2kvsA10 PRO 5 HD2 0.01 -0.15 0.27 -0.04 3.68 3.76 2kvsA10 PRO 5 HD3 -0.01 0.35 0.38 -0.04 3.65 4.33 2kvsA10 MET 6 H 0.03 0.00 -0.33 -0.55 8.47 7.61 2kvsA10 MET 6 HA 0.09 -0.08 0.28 -0.75 4.52 4.05 2kvsA10 MET 6 HB2 0.09 0.28 -0.01 -0.04 2.15 2.47 2kvsA10 MET 6 HB3 0.14 -0.15 0.15 -0.04 2.03 2.13 2kvsA10 MET 6 HG2 -0.07 -0.12 -0.03 -0.04 2.63 2.36 2kvsA10 MET 6 HG3 -0.04 0.34 -0.25 -0.04 2.56 2.57 2kvsA10 MET 6 HE3 -0.01 0.03 -0.05 -0.04 2.10 2.03 2kvsA10 THR 7 H 0.13 0.05 -0.08 -0.55 8.28 7.84 2kvsA10 THR 7 HA 0.19 0.20 0.22 -0.75 4.39 4.25 2kvsA10 THR 7 HB 0.32 0.09 -0.01 -0.04 4.32 4.68 2kvsA10 THR 7 HG23 0.16 0.02 0.02 -0.04 1.22 1.39 2kvsA10 PHE 8 H 0.29 0.05 -0.07 -0.55 8.34 8.06 2kvsA10 PHE 8 HA 0.32 0.11 0.40 -0.75 4.62 4.70 2kvsA10 PHE 8 HB2 -0.05 0.01 0.07 -0.04 3.15 3.14 2kvsA10 PHE 8 HB3 0.10 -0.02 0.02 -0.04 3.06 3.12 2kvsA10 PHE 8 HD2 0.06 0.01 -0.11 -0.04 7.28 7.20 2kvsA10 PHE 8 HE2 0.13 0.03 -0.02 -0.04 7.38 7.48 2kvsA10 PHE 8 HZ 0.10 0.01 -0.10 -0.04 7.32 7.29 2kvsA10 TYR 9 H 0.38 0.00 -0.40 -0.55 8.29 7.72 2kvsA10 TYR 9 HA 0.10 0.04 0.34 -0.75 4.56 4.28 2kvsA10 TYR 9 HB2 0.13 -0.08 0.05 -0.04 3.06 3.12 2kvsA10 TYR 9 HB3 0.09 0.15 0.13 -0.04 2.98 3.31 2kvsA10 TYR 9 HD2 0.08 -0.01 -0.11 -0.04 7.15 7.07 2kvsA10 TYR 9 HE2 0.04 0.04 -0.11 -0.04 6.85 6.79 2kvsA10 ASN 10 H 0.27 0.67 0.02 -0.55 8.53 8.94 2kvsA10 ASN 10 HA 0.07 0.03 0.34 -0.75 4.76 4.45 2kvsA10 ASN 10 HB2 0.16 0.08 0.13 -0.04 2.88 3.20 2kvsA10 ASN 10 HB3 0.15 0.06 0.07 -0.04 2.79 3.04 2kvsA10 ASN 10 HD21 0.09 0.01 -0.03 -0.04 7.03 7.06 2kvsA10 ASN 10 HD22 0.06 -0.03 -0.02 -0.04 7.74 7.71 2kvsA10 PHE 11 H 0.21 0.23 -0.59 -0.55 8.34 7.64 2kvsA10 PHE 11 HA -0.02 0.09 0.54 -0.75 4.62 4.47 2kvsA10 PHE 11 HB2 0.06 0.05 0.08 -0.04 3.15 3.30 2kvsA10 PHE 11 HB3 -0.03 0.06 0.20 -0.04 3.06 3.25 2kvsA10 PHE 11 HD2 -0.11 0.02 -0.03 -0.04 7.28 7.12 2kvsA10 PHE 11 HE2 0.00 -0.01 -0.01 -0.04 7.38 7.32 2kvsA10 PHE 11 HZ 0.10 -0.01 -0.01 -0.04 7.32 7.36 2kvsA10 ILE 12 H -0.12 0.68 0.11 -0.55 8.25 8.38 2kvsA10 ILE 12 HA -0.03 0.00 0.30 -0.75 4.18 3.70 2kvsA10 ILE 12 HB -0.65 0.02 0.11 -0.04 1.89 1.32 2kvsA10 ILE 12 HG12 -0.03 -0.03 -0.02 -0.04 1.49 1.37 2kvsA10 ILE 12 HG13 -0.04 -0.07 -0.01 -0.04 1.21 1.04 2kvsA10 ILE 12 HG23 -0.18 0.04 0.01 -0.04 0.93 0.77 2kvsA10 ILE 12 HD13 -0.22 0.00 -0.00 -0.04 0.88 0.62 2kvsA10 MET 13 H -0.19 0.51 -0.34 -0.55 8.47 7.91 2kvsA10 MET 13 HA -0.15 -0.02 0.36 -0.75 4.52 3.96 2kvsA10 MET 13 HB2 -0.14 0.16 -0.01 -0.04 2.15 2.12 2kvsA10 MET 13 HB3 -0.13 -0.02 -0.02 -0.04 2.03 1.82 2kvsA10 MET 13 HG2 -0.43 -0.05 -0.03 -0.04 2.63 2.08 2kvsA10 MET 13 HG3 -0.55 0.36 0.00 -0.04 2.56 2.33 2kvsA10 MET 13 HE3 -0.01 -0.00 -0.05 -0.04 2.10 1.99 2kvsA10 GLY 14 H -0.20 0.45 -0.43 -0.55 8.43 7.71 2kvsA10 GLY 14 HA2 -0.20 0.06 0.43 -0.51 4.01 3.80 2kvsA10 GLY 14 HA3 -0.38 0.10 0.30 -0.51 4.01 3.51 2kvsA10 PHE 15 H 0.02 0.44 -0.27 -0.55 8.34 7.97 2kvsA10 PHE 15 HA -0.13 0.10 0.57 -0.75 4.62 4.42 2kvsA10 PHE 15 HB2 -0.09 0.18 0.02 -0.04 3.15 3.22 2kvsA10 PHE 15 HB3 -0.02 -0.19 -0.00 -0.04 3.06 2.81 2kvsA10 PHE 15 HD2 -0.34 0.01 0.05 -0.04 7.28 6.96 2kvsA10 PHE 15 HE2 -0.76 0.01 -0.05 -0.04 7.38 6.53 2kvsA10 PHE 15 HZ -0.21 0.00 -0.03 -0.04 7.32 7.04 2kvsA10 GLN 16 H 0.02 0.30 -0.21 -0.55 8.47 8.04 2kvsA10 GLN 16 HA 0.04 0.15 0.78 -0.75 4.36 4.58 2kvsA10 GLN 16 HB2 0.02 -0.11 0.15 -0.04 2.15 2.16 2kvsA10 GLN 16 HB3 -0.03 0.10 0.08 -0.04 2.02 2.12 2kvsA10 GLN 16 HG2 0.01 -0.06 0.01 -0.04 2.40 2.32 2kvsA10 GLN 16 HG3 -0.00 0.06 0.07 -0.04 2.39 2.48 2kvsA10 GLN 16 HE21 0.01 0.08 -0.02 -0.04 6.97 7.00 2kvsA10 GLN 16 HE22 0.02 -0.12 -0.10 -0.04 7.69 7.45 2kvsA10 ASN 17 H -0.06 0.14 -0.59 -0.55 8.53 7.47 2kvsA10 ASN 17 HA -0.04 0.05 0.50 -0.75 4.76 4.52 2kvsA10 ASN 17 HB2 -0.10 0.06 0.13 -0.04 2.88 2.93 2kvsA10 ASN 17 HB3 -0.09 -0.01 0.03 -0.04 2.79 2.68 2kvsA10 ASN 17 HD21 -0.06 0.03 0.03 -0.04 7.03 6.99 2kvsA10 ASN 17 HD22 -0.05 -0.04 0.02 -0.04 7.74 7.63 2kvsA10 ASP 18 H -0.02 0.15 -0.28 -0.55 8.40 7.70 2kvsA10 ASP 18 HA -0.01 0.20 0.63 -0.75 4.63 4.71 2kvsA10 ASP 18 HB2 -0.00 -0.08 0.09 -0.04 2.71 2.68 2kvsA10 ASP 18 HB3 -0.02 0.04 -0.05 -0.04 2.70 2.63 2kvsA10 ASN 19 H 0.01 0.13 0.07 -0.55 8.53 8.19 2kvsA10 ASN 19 HA 0.03 0.10 0.51 -0.75 4.76 4.64 2kvsA10 ASN 19 HB2 0.02 -0.01 0.19 -0.04 2.88 3.04 2kvsA10 ASN 19 HB3 0.02 -0.00 0.02 -0.04 2.79 2.78 2kvsA10 ASN 19 HD21 0.01 -0.02 0.03 -0.04 7.03 7.01 2kvsA10 ASN 19 HD22 0.01 0.03 0.00 -0.04 7.74 7.74 2kvsA10 THR 20 H 0.06 0.28 0.30 -0.55 8.28 8.38 2kvsA10 THR 20 HA 0.09 0.25 0.83 -0.75 4.39 4.80 2kvsA10 THR 20 HB 0.30 -0.08 0.14 -0.04 4.32 4.63 2kvsA10 THR 20 HG23 0.10 0.04 -0.21 -0.04 1.22 1.10 2kvsA10 PRO 21 HA -0.06 0.11 0.46 -0.51 4.44 4.44 2kvsA10 PRO 21 HB2 -0.33 0.02 -0.03 -0.04 2.28 1.90 2kvsA10 PRO 21 HB3 -0.11 0.07 0.11 -0.04 2.02 2.05 2kvsA10 PRO 21 HG2 -0.14 0.00 0.11 -0.04 2.03 1.96 2kvsA10 PRO 21 HG3 -0.04 0.11 0.09 -0.04 2.03 2.15 2kvsA10 PRO 21 HD2 0.16 0.15 0.28 -0.04 3.68 4.23 2kvsA10 PRO 21 HD3 0.04 0.21 0.16 -0.04 3.65 4.01 2kvsA10 PHE 22 H 0.18 0.17 -0.17 -0.55 8.34 7.97 2kvsA10 PHE 22 HA -0.07 0.09 0.49 -0.75 4.62 4.38 2kvsA10 PHE 22 HB2 -0.03 0.03 0.04 -0.04 3.15 3.16 2kvsA10 PHE 22 HB3 -0.36 0.05 0.03 -0.04 3.06 2.74 2kvsA10 PHE 22 HD2 -0.09 -0.02 0.07 -0.04 7.28 7.19 2kvsA10 PHE 22 HE2 -0.01 0.04 -0.03 -0.04 7.38 7.34 2kvsA10 PHE 22 HZ 0.01 0.03 -0.02 -0.04 7.32 7.29 2kvsA10 GLY 23 H 0.18 0.09 -0.32 -0.55 8.43 7.83 2kvsA10 GLY 23 HA2 0.08 0.04 0.28 -0.51 4.01 3.89 2kvsA10 GLY 23 HA3 0.08 0.20 0.21 -0.51 4.01 4.00 2kvsA10 ILE 24 H 0.02 0.31 -0.41 -0.55 8.25 7.62 2kvsA10 ILE 24 HA 0.01 0.05 0.34 -0.75 4.18 3.82 2kvsA10 ILE 24 HB -0.07 0.15 0.09 -0.04 1.89 2.02 2kvsA10 ILE 24 HG12 -0.02 0.16 0.14 -0.04 1.49 1.72 2kvsA10 ILE 24 HG13 -0.05 -0.05 0.04 -0.04 1.21 1.11 2kvsA10 ILE 24 HG23 -0.09 -0.01 -0.07 -0.04 0.93 0.72 2kvsA10 ILE 24 HD13 -0.01 -0.00 -0.03 -0.04 0.88 0.80 2kvsA10 LEU 25 H -0.01 0.29 -0.34 -0.55 8.37 7.77 2kvsA10 LEU 25 HA -0.03 0.02 0.44 -0.75 4.35 4.03 2kvsA10 LEU 25 HB2 -0.01 -0.03 0.16 -0.04 1.64 1.72 2kvsA10 LEU 25 HB3 0.07 0.12 0.14 -0.04 1.64 1.93 2kvsA10 LEU 25 HG 0.13 0.04 0.05 -0.04 1.64 1.83 2kvsA10 LEU 25 HD13 0.27 -0.01 -0.21 -0.04 0.93 0.94 2kvsA10 LEU 25 HD23 -0.04 -0.03 0.04 -0.04 0.89 0.82 2kvsA10 ALA 26 H 0.04 0.27 -0.14 -0.55 8.40 8.03 2kvsA10 ALA 26 HA 0.03 -0.01 0.26 -0.75 4.34 3.87 2kvsA10 ALA 26 HB3 -0.05 0.03 -0.01 -0.04 1.41 1.34 2kvsA10 GLU 27 H 0.04 0.68 -0.08 -0.55 8.60 8.69 2kvsA10 GLU 27 HA 0.04 0.08 0.42 -0.75 4.29 4.08 2kvsA10 GLU 27 HB2 0.03 0.04 0.06 -0.04 2.09 2.17 2kvsA10 GLU 27 HB3 0.05 0.01 0.05 -0.04 1.99 2.07 2kvsA10 GLU 27 HG2 0.05 -0.02 -0.11 -0.04 2.34 2.22 2kvsA10 GLU 27 HG3 0.04 0.02 0.03 -0.04 2.34 2.38 2kvsA10 HIS 28 H 0.13 0.52 -0.16 -0.55 8.41 8.35 2kvsA10 HIS 28 HA 0.03 0.04 0.43 -0.75 4.63 4.37 2kvsA10 HIS 28 HB2 -0.03 0.05 0.15 -0.04 3.26 3.39 2kvsA10 HIS 28 HB3 -0.05 0.03 0.15 -0.04 3.20 3.29 2kvsA10 HIS 28 HD2 0.00 -0.01 -0.11 -0.04 6.97 6.81 2kvsA10 HIS 28 HE1 0.06 0.01 -0.01 -0.04 7.75 7.76 2kvsA10 VAL 29 H 0.14 0.60 -0.11 -0.55 8.24 8.31 2kvsA10 VAL 29 HA 0.07 0.01 0.59 -0.75 4.13 4.05 2kvsA10 VAL 29 HB 0.20 -0.07 0.05 -0.04 2.12 2.25 2kvsA10 VAL 29 HG13 0.20 0.02 0.02 -0.04 0.97 1.17 2kvsA10 VAL 29 HG23 0.28 0.04 -0.02 -0.04 0.95 1.21 2kvsA10 SER 30 H 0.13 0.29 -0.32 -0.55 8.46 8.02 2kvsA10 SER 30 HA 0.19 0.04 0.56 -0.75 4.49 4.53 2kvsA10 SER 30 HB2 0.20 -0.02 0.11 -0.04 3.95 4.20 2kvsA10 SER 30 HB3 0.09 0.12 0.19 -0.04 3.93 4.30 2kvsA10 GLU 31 H 0.02 0.40 -0.15 -0.55 8.60 8.32 2kvsA10 GLU 31 HA 0.00 0.01 0.50 -0.75 4.29 4.05 2kvsA10 GLU 31 HB2 0.00 -0.02 0.11 -0.04 2.09 2.14 2kvsA10 GLU 31 HB3 -0.15 0.13 0.20 -0.04 1.99 2.14 2kvsA10 GLU 31 HG2 -0.06 -0.00 -0.16 -0.04 2.34 2.08 2kvsA10 GLU 31 HG3 0.00 -0.03 0.04 -0.04 2.34 2.30 2kvsA10 ASP 32 H -0.08 0.19 -0.34 -0.55 8.40 7.63 2kvsA10 ASP 32 HA -0.06 -0.01 0.35 -0.75 4.63 4.16 2kvsA10 ASP 32 HB2 -0.11 0.06 0.14 -0.04 2.71 2.76 2kvsA10 ASP 32 HB3 0.01 0.11 0.12 -0.04 2.70 2.90 2kvsA10 LYS 33 H -0.00 0.03 0.13 -0.55 8.42 8.02 2kvsA10 LYS 33 HA 0.01 0.07 0.36 -0.75 4.32 4.00 2kvsA10 LYS 33 HB2 0.01 0.07 -0.00 -0.04 1.87 1.91 2kvsA10 LYS 33 HB3 -0.00 -0.03 0.13 -0.04 1.79 1.84 2kvsA10 LYS 33 HG2 0.01 -0.11 0.09 -0.04 1.46 1.41 2kvsA10 LYS 33 HG3 0.03 0.02 -0.13 -0.04 1.46 1.33 2kvsA10 LYS 33 HD2 -0.05 0.03 -0.05 -0.04 1.69 1.58 2kvsA10 LYS 33 HD3 -0.02 0.00 0.02 -0.04 1.68 1.64 2kvsA10 LYS 33 HE2 -0.02 -0.01 -0.05 -0.04 2.99 2.88 2kvsA10 LYS 33 HE3 -0.04 0.01 -0.02 -0.04 2.99 2.90 2kvsA10 ALA 34 H 0.03 -0.10 -0.37 -0.55 8.40 7.42 2kvsA10 ALA 34 HA 0.04 -0.13 0.30 -0.75 4.34 3.80 2kvsA10 ALA 34 HB3 -0.02 0.09 0.01 -0.04 1.41 1.45 2kvsA10 PHE 35 H 0.07 0.09 0.03 -0.55 8.34 7.98 2kvsA10 PHE 35 HA -0.04 0.23 0.66 -0.75 4.62 4.71 2kvsA10 PHE 35 HB2 -0.03 0.10 -0.31 -0.04 3.15 2.87 2kvsA10 PHE 35 HB3 -0.04 -0.11 -0.07 -0.04 3.06 2.80 2kvsA10 PHE 35 HD2 -0.04 -0.04 -0.11 -0.04 7.28 7.06 2kvsA10 PHE 35 HE2 -0.03 -0.04 -0.02 -0.04 7.38 7.25 2kvsA10 PHE 35 HZ -0.02 -0.04 0.00 -0.04 7.32 7.22 2kvsA10 PRO 36 HA -0.22 -0.10 0.53 -0.51 4.44 4.13 2kvsA10 PRO 36 HB2 -0.40 0.06 0.08 -0.04 2.28 1.99 2kvsA10 PRO 36 HB3 -0.21 0.04 0.11 -0.04 2.02 1.92 2kvsA10 PRO 36 HG2 -0.25 0.04 0.02 -0.04 2.03 1.80 2kvsA10 PRO 36 HG3 -0.19 0.07 -0.01 -0.04 2.03 1.85 2kvsA10 PRO 36 HD2 -0.74 0.12 0.18 -0.04 3.68 3.20 2kvsA10 PRO 36 HD3 -0.20 0.19 0.08 -0.04 3.65 3.68 2kvsA10 ARG 37 H -0.14 -0.11 0.25 -0.55 8.46 7.91 2kvsA10 ARG 37 HA -0.08 0.28 0.83 -0.75 4.34 4.63 2kvsA10 ARG 37 HB2 -0.09 -0.16 0.04 -0.04 1.90 1.65 2kvsA10 ARG 37 HB3 -0.03 0.04 -0.05 -0.04 1.80 1.72 2kvsA10 ARG 37 HG2 0.25 0.06 -0.19 -0.04 1.67 1.74 2kvsA10 ARG 37 HG3 0.03 0.30 -0.18 -0.04 1.67 1.78 2kvsA10 ARG 37 HD2 0.04 0.02 -0.04 -0.04 3.22 3.20 2kvsA10 ARG 37 HD3 -0.11 -0.09 -0.01 -0.04 3.22 2.97 2kvsA10 LEU 38 H -0.08 -0.12 0.16 -0.55 8.37 7.78 2kvsA10 LEU 38 HA -0.04 -0.13 0.41 -0.75 4.35 3.84 2kvsA10 LEU 38 HB2 -0.04 0.31 0.12 -0.04 1.64 1.99 2kvsA10 LEU 38 HB3 -0.03 -0.01 0.10 -0.04 1.64 1.65 2kvsA10 LEU 38 HG -0.05 -0.09 -0.05 -0.04 1.64 1.41 2kvsA10 LEU 38 HD13 -0.10 -0.02 -0.35 -0.04 0.93 0.42 2kvsA10 LEU 38 HD23 -0.04 0.02 -0.11 -0.04 0.89 0.72 2kvsA10 GLU 39 H -0.05 0.00 0.08 -0.55 8.60 8.08 2kvsA10 GLU 39 HA -0.01 0.25 0.60 -0.75 4.29 4.38 2kvsA10 GLU 39 HB2 -0.05 -0.09 0.01 -0.04 2.09 1.93 2kvsA10 GLU 39 HB3 0.03 0.04 -0.08 -0.04 1.99 1.94 2kvsA10 GLU 39 HG2 -0.24 -0.01 -0.06 -0.04 2.34 1.99 2kvsA10 GLU 39 HG3 -0.00 0.07 -0.04 -0.04 2.34 2.33 2kvsA10 GLU 40 H -0.04 -0.05 -0.11 -0.55 8.60 7.86 2kvsA10 GLU 40 HA -0.07 0.01 0.33 -0.75 4.29 3.81 2kvsA10 GLU 40 HB2 -0.04 0.04 -0.14 -0.04 2.09 1.92 2kvsA10 GLU 40 HB3 -0.04 0.21 -0.03 -0.04 1.99 2.10 2kvsA10 GLU 40 HG2 -0.09 -0.03 -0.17 -0.04 2.34 2.01 2kvsA10 GLU 40 HG3 -0.07 -0.02 -0.04 -0.04 2.34 2.18 2kvsA10 ARG 41 H -0.06 0.66 0.36 -0.55 8.46 8.88 2kvsA10 ARG 41 HA -0.18 0.06 0.42 -0.75 4.34 3.88 2kvsA10 ARG 41 HB2 -0.03 0.03 0.20 -0.04 1.90 2.07 2kvsA10 ARG 41 HB3 -0.04 -0.10 0.08 -0.04 1.80 1.70 2kvsA10 ARG 41 HG2 -0.04 0.08 0.15 -0.04 1.67 1.82 2kvsA10 ARG 41 HG3 -0.03 0.03 0.08 -0.04 1.67 1.71 2kvsA10 ARG 41 HD2 -0.05 -0.01 0.05 -0.04 3.22 3.17 2kvsA10 ARG 41 HD3 -0.09 -0.02 -0.02 -0.04 3.22 3.05 2kvsA10 HIS 42 H -0.34 0.25 0.23 -0.55 8.41 8.00 2kvsA10 HIS 42 HA -0.14 0.03 0.28 -0.75 4.63 4.06 2kvsA10 HIS 42 HB2 0.00 0.03 0.05 -0.04 3.26 3.30 2kvsA10 HIS 42 HB3 -0.14 -0.00 0.06 -0.04 3.20 3.08 2kvsA10 HIS 42 HD2 -0.11 -0.11 0.02 -0.04 6.97 6.73 2kvsA10 HIS 42 HE1 0.07 0.04 0.06 -0.04 7.75 7.88 2kvsA10 GLN 43 H 0.03 0.06 -0.36 -0.55 8.47 7.65 2kvsA10 GLN 43 HA 0.02 0.11 0.30 -0.75 4.36 4.03 2kvsA10 GLN 43 HB2 0.02 0.03 0.06 -0.04 2.15 2.22 2kvsA10 GLN 43 HB3 0.00 -0.02 0.06 -0.04 2.02 2.02 2kvsA10 GLN 43 HG2 -0.01 0.00 -0.20 -0.04 2.40 2.15 2kvsA10 GLN 43 HG3 0.01 0.01 0.01 -0.04 2.39 2.38 2kvsA10 GLN 43 HE21 0.01 -0.01 -0.01 -0.04 6.97 6.93 2kvsA10 GLN 43 HE22 0.00 0.03 -0.01 -0.04 7.69 7.67 2kvsA10 VAL 44 H 0.00 0.19 -0.14 -0.55 8.24 7.74 2kvsA10 VAL 44 HA -0.06 0.06 0.25 -0.75 4.13 3.63 2kvsA10 VAL 44 HB -0.05 0.01 0.09 -0.04 2.12 2.13 2kvsA10 VAL 44 HG13 -0.02 0.00 0.05 -0.04 0.97 0.96 2kvsA10 VAL 44 HG23 0.13 0.08 -0.05 -0.04 0.95 1.06 2kvsA10 ILE 45 H 0.02 0.26 -0.66 -0.55 8.25 7.32 2kvsA10 ILE 45 HA 0.29 0.02 0.29 -0.75 4.18 4.03 2kvsA10 ILE 45 HB -0.13 0.17 0.07 -0.04 1.89 1.95 2kvsA10 ILE 45 HG12 -0.03 -0.08 -0.04 -0.04 1.49 1.30 2kvsA10 ILE 45 HG13 -0.02 0.14 -0.06 -0.04 1.21 1.23 2kvsA10 ILE 45 HG23 -0.32 -0.02 -0.07 -0.04 0.93 0.48 2kvsA10 ILE 45 HD13 -0.12 -0.01 -0.02 -0.04 0.88 0.69 2kvsA10 ARG 46 H -0.04 0.40 -0.20 -0.55 8.46 8.08 2kvsA10 ARG 46 HA -0.05 -0.00 0.29 -0.75 4.34 3.82 2kvsA10 ARG 46 HB2 -0.02 0.03 0.08 -0.04 1.90 1.95 2kvsA10 ARG 46 HB3 -0.03 0.08 0.05 -0.04 1.80 1.87 2kvsA10 ARG 46 HG2 -0.01 0.00 -0.12 -0.04 1.67 1.50 2kvsA10 ARG 46 HG3 0.00 -0.06 0.02 -0.04 1.67 1.60 2kvsA10 ARG 46 HD2 0.02 -0.02 -0.00 -0.04 3.22 3.17 2kvsA10 ARG 46 HD3 0.02 0.04 0.03 -0.04 3.22 3.27 2kvsA10 ALA 47 H -0.11 0.29 -0.33 -0.55 8.40 7.71 2kvsA10 ALA 47 HA -0.10 0.05 0.37 -0.75 4.34 3.91 2kvsA10 ALA 47 HB3 -0.29 0.04 0.08 -0.04 1.41 1.20 2kvsA10 TYR 48 H -0.14 0.31 -0.20 -0.55 8.29 7.70 2kvsA10 TYR 48 HA -0.03 0.07 0.31 -0.75 4.56 4.16 2kvsA10 TYR 48 HB2 -0.05 0.09 0.15 -0.04 3.06 3.22 2kvsA10 TYR 48 HB3 -0.02 -0.01 0.01 -0.04 2.98 2.92 2kvsA10 TYR 48 HD2 -0.04 0.02 0.05 -0.04 7.15 7.13 2kvsA10 TYR 48 HE2 -0.02 -0.04 -0.15 -0.04 6.85 6.60 2kvsA10 VAL 49 H 0.09 0.31 -0.10 -0.55 8.24 7.98 2kvsA10 VAL 49 HA 0.15 0.02 0.35 -0.75 4.13 3.89 2kvsA10 VAL 49 HB 0.12 -0.02 0.03 -0.04 2.12 2.21 2kvsA10 VAL 49 HG13 0.01 0.01 0.04 -0.04 0.97 1.00 2kvsA10 VAL 49 HG23 0.02 0.04 0.08 -0.04 0.95 1.05 2kvsA10 MET 50 H 0.02 0.35 -0.23 -0.55 8.47 8.06 2kvsA10 MET 50 HA 0.03 0.11 0.47 -0.75 4.52 4.38 2kvsA10 MET 50 HB2 -0.02 0.10 0.10 -0.04 2.15 2.30 2kvsA10 MET 50 HB3 -0.00 -0.02 0.02 -0.04 2.03 1.99 2kvsA10 MET 50 HG2 0.02 -0.05 0.02 -0.04 2.63 2.58 2kvsA10 MET 50 HG3 0.01 0.11 0.08 -0.04 2.56 2.71 2kvsA10 MET 50 HE3 -0.02 0.01 -0.14 -0.04 2.10 1.91 2kvsA10 SER 51 H -0.01 0.37 -0.22 -0.55 8.46 8.05 2kvsA10 SER 51 HA -0.03 0.03 0.45 -0.75 4.49 4.19 2kvsA10 SER 51 HB2 -0.05 -0.03 0.09 -0.04 3.95 3.93 2kvsA10 SER 51 HB3 -0.01 0.09 0.12 -0.04 3.93 4.09 2kvsA10 ASN 52 H -0.02 0.20 -0.46 -0.55 8.53 7.70 2kvsA10 ASN 52 HA -0.16 0.12 0.72 -0.75 4.76 4.69 2kvsA10 ASN 52 HB2 -0.20 -0.02 0.16 -0.04 2.88 2.78 2kvsA10 ASN 52 HB3 -0.55 -0.07 0.00 -0.04 2.79 2.12 2kvsA10 ASN 52 HD21 0.02 -0.08 -0.10 -0.04 7.03 6.82 2kvsA10 ASN 52 HD22 0.04 -0.07 -0.08 -0.04 7.74 7.59 2kvsA10 TYR 53 H 0.02 0.56 0.19 -0.55 8.29 8.52 2kvsA10 TYR 53 HA -0.02 0.10 0.72 -0.75 4.56 4.60 2kvsA10 TYR 53 HB2 -0.01 0.09 0.09 -0.04 3.06 3.18 2kvsA10 TYR 53 HB3 -0.04 -0.21 0.07 -0.04 2.98 2.76 2kvsA10 TYR 53 HD2 0.01 0.00 0.03 -0.04 7.15 7.15 2kvsA10 TYR 53 HE2 0.09 0.01 -0.03 -0.04 6.85 6.88 2kvsA10 THR 54 H 0.06 0.13 0.18 -0.55 8.28 8.10 2kvsA10 THR 54 HA -0.05 0.27 0.75 -0.75 4.39 4.61 2kvsA10 THR 54 HB -0.09 -0.01 0.12 -0.04 4.32 4.29 2kvsA10 THR 54 HG23 -0.02 0.04 -0.04 -0.04 1.22 1.16 2kvsA10 ASP 55 H 0.00 0.03 -0.05 -0.55 8.40 7.84 2kvsA10 ASP 55 HA -0.19 0.08 0.50 -0.75 4.63 4.26 2kvsA10 ASP 55 HB2 -0.10 0.00 0.14 -0.04 2.71 2.71 2kvsA10 ASP 55 HB3 -0.10 -0.08 0.05 -0.04 2.70 2.54 2kvsA10 HIS 56 H -0.33 0.21 0.26 -0.55 8.41 8.00 2kvsA10 HIS 56 HA -0.01 0.15 0.23 -0.75 4.63 4.25 2kvsA10 HIS 56 HB2 -0.03 -0.05 0.13 -0.04 3.26 3.27 2kvsA10 HIS 56 HB3 -0.02 0.04 0.07 -0.04 3.20 3.24 2kvsA10 HIS 56 HD2 -0.02 -0.04 0.10 -0.04 6.97 6.97 2kvsA10 HIS 56 HE1 -0.00 0.02 0.05 -0.04 7.75 7.77 2kvsA10 GLN 57 H 0.01 0.09 -0.13 -0.55 8.47 7.89 2kvsA10 GLN 57 HA -0.10 0.10 0.43 -0.75 4.36 4.03 2kvsA10 GLN 57 HB2 -0.11 -0.02 0.07 -0.04 2.15 2.04 2kvsA10 GLN 57 HB3 -0.23 0.04 -0.07 -0.04 2.02 1.72 2kvsA10 GLN 57 HG2 -0.04 -0.03 0.04 -0.04 2.40 2.32 2kvsA10 GLN 57 HG3 -0.10 0.05 0.02 -0.04 2.39 2.32 2kvsA10 GLN 57 HE21 -0.08 0.03 0.01 -0.04 6.97 6.89 2kvsA10 GLN 57 HE22 -0.09 0.03 -0.00 -0.04 7.69 7.59 2kvsA10 LEU 58 H -0.09 0.07 -0.22 -0.55 8.37 7.58 2kvsA10 LEU 58 HA -0.09 0.05 0.41 -0.75 4.35 3.96 2kvsA10 LEU 58 HB2 -0.11 0.11 0.06 -0.04 1.64 1.66 2kvsA10 LEU 58 HB3 -0.18 0.03 0.02 -0.04 1.64 1.47 2kvsA10 LEU 58 HG -0.16 -0.09 0.03 -0.04 1.64 1.38 2kvsA10 LEU 58 HD13 -0.46 0.01 0.00 -0.04 0.93 0.44 2kvsA10 LEU 58 HD23 -0.16 0.01 -0.05 -0.04 0.89 0.66 2kvsA10 ILE 59 H -0.01 0.50 -0.30 -0.55 8.25 7.89 2kvsA10 ILE 59 HA 0.04 0.03 0.44 -0.75 4.18 3.95 2kvsA10 ILE 59 HB 0.04 0.09 0.08 -0.04 1.89 2.06 2kvsA10 ILE 59 HG12 0.05 0.01 -0.16 -0.04 1.49 1.36 2kvsA10 ILE 59 HG13 0.02 0.08 -0.22 -0.04 1.21 1.05 2kvsA10 ILE 59 HG23 0.04 -0.01 -0.13 -0.04 0.93 0.78 2kvsA10 ILE 59 HD13 0.01 0.05 -0.11 -0.04 0.88 0.79 2kvsA10 GLU 60 H 0.02 0.65 -0.00 -0.55 8.60 8.72 2kvsA10 GLU 60 HA 0.06 -0.01 0.38 -0.75 4.29 3.97 2kvsA10 GLU 60 HB2 -0.03 0.05 0.16 -0.04 2.09 2.23 2kvsA10 GLU 60 HB3 0.05 -0.04 0.02 -0.04 1.99 1.99 2kvsA10 GLU 60 HG2 0.04 0.17 0.10 -0.04 2.34 2.61 2kvsA10 GLU 60 HG3 0.02 -0.04 -0.01 -0.04 2.34 2.28 2kvsA10 THR 61 H -0.01 0.60 -0.28 -0.55 8.28 8.04 2kvsA10 THR 61 HA 0.33 -0.01 0.41 -0.75 4.39 4.37 2kvsA10 THR 61 HB 0.07 0.19 0.18 -0.04 4.32 4.72 2kvsA10 THR 61 HG23 0.17 -0.00 -0.04 -0.04 1.22 1.31 2kvsA10 THR 62 H 0.13 0.40 -0.16 -0.55 8.28 8.10 2kvsA10 THR 62 HA 0.42 0.03 0.51 -0.75 4.39 4.59 2kvsA10 THR 62 HB 0.02 0.12 0.17 -0.04 4.32 4.60 2kvsA10 THR 62 HG23 -0.32 -0.02 -0.13 -0.04 1.22 0.71 2kvsA10 ASN 63 H 0.08 0.70 0.05 -0.55 8.53 8.82 2kvsA10 ASN 63 HA 0.05 -0.02 0.34 -0.75 4.76 4.38 2kvsA10 ASN 63 HB2 0.05 0.05 0.06 -0.04 2.88 2.99 2kvsA10 ASN 63 HB3 0.07 -0.01 0.14 -0.04 2.79 2.95 2kvsA10 ASN 63 HD21 0.05 -0.02 -0.05 -0.04 7.03 6.98 2kvsA10 ASN 63 HD22 0.04 -0.01 -0.05 -0.04 7.74 7.68 2kvsA10 ARG 64 H 0.13 0.67 -0.19 -0.55 8.46 8.51 2kvsA10 ARG 64 HA 0.09 0.03 0.47 -0.75 4.34 4.18 2kvsA10 ARG 64 HB2 0.13 -0.00 0.11 -0.04 1.90 2.11 2kvsA10 ARG 64 HB3 0.16 0.10 0.11 -0.04 1.80 2.13 2kvsA10 ARG 64 HG2 0.09 -0.03 -0.12 -0.04 1.67 1.58 2kvsA10 ARG 64 HG3 0.09 -0.03 0.05 -0.04 1.67 1.74 2kvsA10 ARG 64 HD2 0.15 -0.01 -0.01 -0.04 3.22 3.31 2kvsA10 ARG 64 HD3 0.07 0.01 -0.03 -0.04 3.22 3.23 2kvsA10 ALA 65 H 0.20 0.37 -0.21 -0.55 8.40 8.21 2kvsA10 ALA 65 HA 0.21 0.01 0.40 -0.75 4.34 4.20 2kvsA10 ALA 65 HB3 0.44 0.04 0.16 -0.04 1.41 2.01 2kvsA10 ILE 66 H 0.19 0.65 -0.10 -0.55 8.25 8.44 2kvsA10 ILE 66 HA 0.21 -0.03 0.35 -0.75 4.18 3.95 2kvsA10 ILE 66 HB 0.07 0.16 0.07 -0.04 1.89 2.15 2kvsA10 ILE 66 HG12 0.04 0.36 0.04 -0.04 1.49 1.90 2kvsA10 ILE 66 HG13 -0.02 -0.09 0.02 -0.04 1.21 1.08 2kvsA10 ILE 66 HG23 0.03 -0.01 -0.10 -0.04 0.93 0.82 2kvsA10 ILE 66 HD13 -0.16 0.03 0.02 -0.04 0.88 0.73 2kvsA10 SER 67 H 0.11 0.36 -0.44 -0.55 8.46 7.94 2kvsA10 SER 67 HA 0.06 -0.00 0.41 -0.75 4.49 4.20 2kvsA10 SER 67 HB2 0.06 0.02 0.15 -0.04 3.95 4.15 2kvsA10 SER 67 HB3 0.07 0.28 0.18 -0.04 3.93 4.43 2kvsA10 LEU 68 H 0.06 0.46 -0.18 -0.55 8.37 8.17 2kvsA10 LEU 68 HA -0.01 -0.01 0.47 -0.75 4.35 4.05 2kvsA10 LEU 68 HB2 -0.26 0.17 0.16 -0.04 1.64 1.68 2kvsA10 LEU 68 HB3 -0.16 -0.04 0.06 -0.04 1.64 1.46 2kvsA10 LEU 68 HG 0.06 0.09 0.11 -0.04 1.64 1.85 2kvsA10 LEU 68 HD13 0.19 -0.00 0.02 -0.04 0.93 1.10 2kvsA10 LEU 68 HD23 0.04 -0.01 -0.00 -0.04 0.89 0.87 2kvsA10 TYR 69 H 0.08 0.36 -0.17 -0.55 8.29 8.01 2kvsA10 TYR 69 HA -0.26 0.03 0.37 -0.75 4.56 3.94 2kvsA10 TYR 69 HB2 -0.13 0.20 0.13 -0.04 3.06 3.21 2kvsA10 TYR 69 HB3 -0.59 -0.08 0.07 -0.04 2.98 2.34 2kvsA10 TYR 69 HD2 -0.49 0.10 -0.05 -0.04 7.15 6.66 2kvsA10 TYR 69 HE2 -0.15 -0.02 -0.13 -0.04 6.85 6.50 2kvsA10 MET 70 H 0.06 0.33 -0.49 -0.55 8.47 7.83 2kvsA10 MET 70 HA 0.06 0.09 0.80 -0.75 4.52 4.72 2kvsA10 MET 70 HB2 0.04 0.13 0.23 -0.04 2.15 2.50 2kvsA10 MET 70 HB3 0.02 -0.02 0.05 -0.04 2.03 2.04 2kvsA10 MET 70 HG2 0.08 0.11 -0.04 -0.04 2.63 2.74 2kvsA10 MET 70 HG3 0.05 -0.01 0.00 -0.04 2.56 2.56 2kvsA10 MET 70 HE3 0.06 -0.02 -0.05 -0.04 2.10 2.05 2kvsA10 ALA 71 H 0.03 0.56 0.19 -0.55 8.40 8.63 2kvsA10 ALA 71 HA -0.07 0.03 0.31 -0.75 4.34 3.86 2kvsA10 ALA 71 HB3 0.11 0.01 0.12 -0.04 1.41 1.61 2kvsA10 ASN 72 H 0.03 0.52 0.03 -0.55 8.53 8.57 2kvsA10 ASN 72 HA 0.19 0.04 0.37 -0.75 4.76 4.61 2kvsA10 ASN 72 HB2 0.01 -0.06 0.13 -0.04 2.88 2.92 2kvsA10 ASN 72 HB3 -0.05 0.09 0.05 -0.04 2.79 2.84 2kvsA10 ASN 72 HD21 0.01 -0.02 -0.01 -0.04 7.03 6.97 2kvsA10 ASN 72 HD22 0.10 0.00 -0.02 -0.04 7.74 7.78 2kvsA10 LEU 73 H 0.02 0.20 -0.46 -0.55 8.37 7.59 2kvsA10 LEU 73 HA 0.05 0.03 0.40 -0.75 4.35 4.08 2kvsA10 LEU 73 HB2 0.01 0.18 0.16 -0.04 1.64 1.95 2kvsA10 LEU 73 HB3 0.05 0.05 0.19 -0.04 1.64 1.88 2kvsA10 LEU 73 HG 0.12 -0.02 0.07 -0.04 1.64 1.77 2kvsA10 LEU 73 HD13 0.05 -0.02 -0.13 -0.04 0.93 0.79 2kvsA10 LEU 73 HD23 0.02 -0.01 0.04 -0.04 0.89 0.90 2kvsA10 GLU 74 H 0.01 0.57 0.01 -0.55 8.60 8.64 2kvsA10 GLU 74 HA 0.06 0.00 0.37 -0.75 4.29 3.97 2kvsA10 GLU 74 HB2 -0.08 -0.02 0.05 -0.04 2.09 2.00 2kvsA10 GLU 74 HB3 -0.05 -0.02 0.12 -0.04 1.99 2.00 2kvsA10 GLU 74 HG2 -0.17 0.19 0.20 -0.04 2.34 2.52 2kvsA10 GLU 74 HG3 -0.58 0.08 0.01 -0.04 2.34 1.80 2kvsA10 HIS 75 H -0.01 0.44 -0.31 -0.55 8.41 7.98 2kvsA10 HIS 75 HA 0.12 0.23 0.51 -0.75 4.63 4.73 2kvsA10 HIS 75 HB2 0.02 0.06 0.11 -0.04 3.26 3.41 2kvsA10 HIS 75 HB3 -0.10 -0.07 0.04 -0.04 3.20 3.02 2kvsA10 HIS 75 HD2 0.05 0.12 0.07 -0.04 6.97 7.17 2kvsA10 HIS 75 HE1 0.00 -0.09 -0.00 -0.04 7.75 7.62 2kvsA10 HIS 76 H 0.31 0.43 -0.24 -0.55 8.41 8.37 2kvsA10 HIS 76 HA 0.28 -0.00 0.49 -0.75 4.63 4.65 2kvsA10 HIS 76 HB2 0.11 0.22 0.25 -0.04 3.26 3.81 2kvsA10 HIS 76 HB3 0.10 -0.07 -0.01 -0.04 3.20 3.17 2kvsA10 HIS 76 HD2 0.06 -0.02 0.02 -0.04 6.97 6.98 2kvsA10 HIS 76 HE1 0.03 -0.06 -0.03 -0.04 7.75 7.65 2kvsA10 HIS 77 H 0.30 0.29 -0.34 -0.55 8.41 8.12 2kvsA10 HIS 77 HA 0.09 0.05 0.59 -0.75 4.63 4.61 2kvsA10 HIS 77 HB2 0.09 -0.04 0.07 -0.04 3.26 3.34 2kvsA10 HIS 77 HB3 0.10 0.11 0.12 -0.04 3.20 3.48 2kvsA10 HIS 77 HD2 0.08 0.00 -0.09 -0.04 6.97 6.92 2kvsA10 HIS 77 HE1 0.04 -0.03 0.02 -0.04 7.75 7.73 2kvsA10 HIS 78 H 0.29 0.49 -0.05 -0.55 8.41 8.59 2kvsA10 HIS 78 HA 0.06 0.12 0.90 -0.75 4.63 4.95 2kvsA10 HIS 78 HB2 0.12 -0.04 -0.06 -0.04 3.26 3.24 2kvsA10 HIS 78 HB3 0.10 0.02 0.12 -0.04 3.20 3.40 2kvsA10 HIS 78 HD2 0.12 0.00 -0.21 -0.04 6.97 6.83 2kvsA10 HIS 78 HE1 0.06 -0.04 -0.05 -0.04 7.75 7.68 2kvsA10 HIS 79 H 0.03 0.16 -0.01 -0.55 8.41 8.04 2kvsA10 HIS 79 HA -0.13 0.14 0.84 -0.75 4.63 4.72 2kvsA10 HIS 79 HB2 -0.06 -0.01 0.13 -0.04 3.26 3.29 2kvsA10 HIS 79 HB3 -0.14 -0.05 -0.03 -0.04 3.20 2.93 2kvsA10 HIS 79 HD2 -0.10 -0.06 -0.00 -0.04 6.97 6.76 2kvsA10 HIS 79 HE1 -0.27 -0.06 -0.04 -0.04 7.75 7.34 2kvsA10 HIS 80 H -0.28 0.18 0.07 -0.55 8.41 7.83 2kvsA10 HIS 80 HA -0.00 0.02 0.18 -0.75 4.63 4.07 2kvsA10 HIS 80 HB2 -0.07 0.27 0.26 -0.04 3.26 3.69 2kvsA10 HIS 80 HB3 -0.01 -0.03 0.08 -0.04 3.20 3.19 2kvsA10 HIS 80 HD2 -0.02 -0.01 -0.01 -0.04 6.97 6.88 2kvsA10 HIS 80 HE1 0.03 0.01 -0.06 -0.04 7.75 7.69