============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 8 rings ring int. center anis. iso. TYR 16 0.840 -8.396 0.889 6.277 -99.200 -91.000 PHE 31 1.000 0.042 -1.975 -3.271 -99.200 -91.000 PHE 39 1.000 3.091 1.064 -8.719 -99.200 -91.000 HIS 40 0.900 2.362 -2.990 -17.848 -99.200 -91.000 PHE 44 1.000 13.858 -6.472 -11.958 -99.200 -91.000 HIS 51 0.900 8.437 -8.632 0.267 -99.200 -91.000 TYR 52 0.840 3.325 -0.553 -0.136 -99.200 -91.000 HIS 62 0.900 0.661 0.684 12.610 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2jsaA9 ARG 1 H 0.01 0.00 -0.09 -0.55 8.46 7.83 2jsaA9 ARG 1 HA -0.00 -0.23 0.18 -0.75 4.34 3.54 2jsaA9 ARG 1 HB2 0.01 0.04 0.05 -0.04 1.90 1.96 2jsaA9 ARG 1 HB3 0.02 0.06 0.16 -0.04 1.80 2.00 2jsaA9 ARG 1 HG2 0.02 -0.16 -0.04 -0.04 1.67 1.46 2jsaA9 ARG 1 HG3 0.05 0.08 -0.02 -0.04 1.67 1.74 2jsaA9 ARG 1 HD2 0.04 0.09 -0.02 -0.04 3.22 3.29 2jsaA9 ARG 1 HD3 0.04 -0.13 -0.23 -0.04 3.22 2.87 2jsaA9 SER 2 H -0.00 -0.02 0.07 -0.55 8.46 7.96 2jsaA9 SER 2 HA 0.01 0.16 0.45 -0.75 4.49 4.37 2jsaA9 SER 2 HB2 0.01 0.04 0.22 -0.04 3.95 4.18 2jsaA9 SER 2 HB3 0.01 0.23 -0.03 -0.04 3.93 4.10 2jsaA9 ALA 3 H 0.00 -0.08 0.05 -0.55 8.40 7.82 2jsaA9 ALA 3 HA 0.01 0.13 0.40 -0.75 4.34 4.12 2jsaA9 ALA 3 HB3 0.00 0.14 0.14 -0.04 1.41 1.65 2jsaA9 LEU 4 H -0.03 0.21 0.12 -0.55 8.37 8.13 2jsaA9 LEU 4 HA -0.04 0.16 0.42 -0.75 4.35 4.14 2jsaA9 LEU 4 HB2 -0.16 0.09 0.11 -0.04 1.64 1.64 2jsaA9 LEU 4 HB3 -0.06 0.03 0.14 -0.04 1.64 1.71 2jsaA9 LEU 4 HG -0.29 0.04 -0.36 -0.04 1.64 1.00 2jsaA9 LEU 4 HD13 -0.21 0.03 -0.02 -0.04 0.93 0.69 2jsaA9 LEU 4 HD23 -0.06 -0.06 0.01 -0.04 0.89 0.74 2jsaA9 SER 5 H -0.04 -0.24 -0.46 -0.55 8.46 7.17 2jsaA9 SER 5 HA -0.16 0.16 0.37 -0.75 4.49 4.11 2jsaA9 SER 5 HB2 0.13 0.14 -0.17 -0.04 3.95 4.01 2jsaA9 SER 5 HB3 0.06 0.10 -0.03 -0.04 3.93 4.01 2jsaA9 CYS 6 H 0.01 0.11 -0.31 -0.55 8.50 7.77 2jsaA9 CYS 6 HA 0.09 0.19 0.29 -0.75 4.58 4.40 2jsaA9 CYS 6 HB2 0.04 -0.16 -0.04 -0.04 2.97 2.77 2jsaA9 CYS 6 HB3 0.03 0.13 0.12 -0.04 2.97 3.22 2jsaA9 GLN 7 H 0.03 0.29 -0.11 -0.55 8.47 8.13 2jsaA9 GLN 7 HA 0.08 0.07 0.33 -0.75 4.36 4.09 2jsaA9 GLN 7 HB2 0.08 -0.01 0.12 -0.04 2.15 2.29 2jsaA9 GLN 7 HB3 0.21 0.06 -0.04 -0.04 2.02 2.21 2jsaA9 GLN 7 HG2 0.12 0.03 -0.02 -0.04 2.40 2.49 2jsaA9 GLN 7 HG3 0.08 0.00 0.04 -0.04 2.39 2.47 2jsaA9 GLN 7 HE21 0.04 0.02 -0.01 -0.04 6.97 6.97 2jsaA9 GLN 7 HE22 0.03 0.02 -0.01 -0.04 7.69 7.68 2jsaA9 MET 8 H -0.10 0.38 -0.37 -0.55 8.47 7.84 2jsaA9 MET 8 HA 0.18 0.02 0.32 -0.75 4.52 4.29 2jsaA9 MET 8 HB2 -0.98 0.28 0.11 -0.04 2.15 1.52 2jsaA9 MET 8 HB3 -1.74 -0.06 -0.02 -0.04 2.03 0.17 2jsaA9 MET 8 HG2 -0.27 -0.05 -0.01 -0.04 2.63 2.26 2jsaA9 MET 8 HG3 -0.51 0.25 0.09 -0.04 2.56 2.35 2jsaA9 MET 8 HE3 -0.49 -0.02 -0.16 -0.04 2.10 1.39 2jsaA9 CYS 9 H 0.15 0.55 -0.39 -0.55 8.50 8.25 2jsaA9 CYS 9 HA 0.45 -0.05 0.49 -0.75 4.58 4.71 2jsaA9 CYS 9 HB2 0.18 -0.14 0.18 -0.04 2.97 3.14 2jsaA9 CYS 9 HB3 0.26 0.13 0.26 -0.04 2.97 3.58 2jsaA9 GLU 10 H 0.15 0.57 -0.17 -0.55 8.60 8.60 2jsaA9 GLU 10 HA 0.12 -0.00 0.58 -0.75 4.29 4.23 2jsaA9 GLU 10 HB2 0.09 0.17 0.17 -0.04 2.09 2.49 2jsaA9 GLU 10 HB3 0.07 -0.05 0.14 -0.04 1.99 2.10 2jsaA9 GLU 10 HG2 0.08 -0.01 -0.00 -0.04 2.34 2.37 2jsaA9 GLU 10 HG3 0.07 0.00 0.01 -0.04 2.34 2.38 2jsaA9 LEU 11 H 0.27 0.38 -0.65 -0.55 8.37 7.83 2jsaA9 LEU 11 HA 0.14 0.15 0.67 -0.75 4.35 4.55 2jsaA9 LEU 11 HB2 0.10 0.00 -0.02 -0.04 1.64 1.67 2jsaA9 LEU 11 HB3 0.50 0.16 0.20 -0.04 1.64 2.46 2jsaA9 LEU 11 HG 0.16 -0.11 -0.23 -0.04 1.64 1.42 2jsaA9 LEU 11 HD13 -0.05 0.00 -0.01 -0.04 0.93 0.83 2jsaA9 LEU 11 HD23 -1.49 0.10 -0.24 -0.04 0.89 -0.79 2jsaA9 VAL 12 H 0.47 0.57 0.10 -0.55 8.24 8.83 2jsaA9 VAL 12 HA 0.30 0.08 0.36 -0.75 4.13 4.11 2jsaA9 VAL 12 HB 0.06 -0.09 0.01 -0.04 2.12 2.06 2jsaA9 VAL 12 HG13 -0.10 0.07 -0.03 -0.04 0.97 0.87 2jsaA9 VAL 12 HG23 0.15 0.07 0.15 -0.04 0.95 1.27 2jsaA9 VAL 13 H 0.19 0.53 -0.03 -0.55 8.24 8.39 2jsaA9 VAL 13 HA 0.19 -0.03 0.43 -0.75 4.13 3.96 2jsaA9 VAL 13 HB 0.06 -0.04 0.06 -0.04 2.12 2.16 2jsaA9 VAL 13 HG13 0.11 0.04 0.12 -0.04 0.97 1.20 2jsaA9 VAL 13 HG23 0.10 0.11 0.18 -0.04 0.95 1.30 2jsaA9 LYS 14 H 0.12 0.28 -0.37 -0.55 8.42 7.90 2jsaA9 LYS 14 HA 0.06 -0.03 0.27 -0.75 4.32 3.87 2jsaA9 LYS 14 HB2 0.07 0.06 0.19 -0.04 1.87 2.15 2jsaA9 LYS 14 HB3 0.09 0.10 0.14 -0.04 1.79 2.09 2jsaA9 LYS 14 HG2 0.05 0.01 -0.13 -0.04 1.46 1.36 2jsaA9 LYS 14 HG3 0.04 -0.06 0.07 -0.04 1.46 1.47 2jsaA9 LYS 14 HD2 0.02 -0.05 0.02 -0.04 1.69 1.65 2jsaA9 LYS 14 HD3 0.04 0.05 0.05 -0.04 1.68 1.78 2jsaA9 LYS 14 HE2 0.01 0.00 -0.00 -0.04 2.99 2.96 2jsaA9 LYS 14 HE3 0.02 0.01 -0.02 -0.04 2.99 2.95 2jsaA9 LYS 15 H 0.15 0.18 -1.04 -0.55 8.42 7.16 2jsaA9 LYS 15 HA 0.10 0.13 0.47 -0.75 4.32 4.26 2jsaA9 LYS 15 HB2 0.17 0.12 0.19 -0.04 1.87 2.31 2jsaA9 LYS 15 HB3 0.12 -0.10 0.09 -0.04 1.79 1.85 2jsaA9 LYS 15 HG2 0.13 0.23 -0.03 -0.04 1.46 1.75 2jsaA9 LYS 15 HG3 0.15 -0.17 -0.12 -0.04 1.46 1.29 2jsaA9 LYS 15 HD2 0.07 -0.00 0.04 -0.04 1.69 1.76 2jsaA9 LYS 15 HD3 0.07 0.06 -0.10 -0.04 1.68 1.67 2jsaA9 LYS 15 HE2 0.03 0.01 -0.07 -0.04 2.99 2.92 2jsaA9 LYS 15 HE3 0.05 -0.03 -0.24 -0.04 2.99 2.73 2jsaA9 TYR 16 H 0.23 0.49 0.10 -0.55 8.29 8.56 2jsaA9 TYR 16 HA 0.04 -0.08 0.47 -0.75 4.56 4.23 2jsaA9 TYR 16 HB2 0.04 -0.02 0.08 -0.04 3.06 3.12 2jsaA9 TYR 16 HB3 0.04 -0.08 0.28 -0.04 2.98 3.18 2jsaA9 TYR 16 HD2 0.02 -0.06 -0.04 -0.04 7.15 7.03 2jsaA9 TYR 16 HE2 0.01 0.03 -0.04 -0.04 6.85 6.81 2jsaA9 GLU 17 H 0.06 0.39 0.15 -0.55 8.60 8.65 2jsaA9 GLU 17 HA -0.21 0.01 0.32 -0.75 4.29 3.66 2jsaA9 GLU 17 HB2 -0.00 0.05 -0.12 -0.04 2.09 1.98 2jsaA9 GLU 17 HB3 -0.05 0.01 -0.03 -0.04 1.99 1.88 2jsaA9 GLU 17 HG2 -0.10 -0.07 0.06 -0.04 2.34 2.18 2jsaA9 GLU 17 HG3 -0.04 -0.05 -0.04 -0.04 2.34 2.17 2jsaA9 GLY 18 H 0.06 0.26 -0.84 -0.55 8.43 7.37 2jsaA9 GLY 18 HA2 0.03 0.11 0.80 -0.51 4.01 4.44 2jsaA9 GLY 18 HA3 0.04 0.03 0.28 -0.51 4.01 3.85 2jsaA9 SER 19 H 0.11 0.62 -0.23 -0.55 8.46 8.41 2jsaA9 SER 19 HA 0.08 0.25 0.68 -0.75 4.49 4.74 2jsaA9 SER 19 HB2 0.08 -0.40 0.14 -0.04 3.95 3.74 2jsaA9 SER 19 HB3 0.14 0.14 0.27 -0.04 3.93 4.45 2jsaA9 ALA 20 H 0.07 0.18 0.02 -0.55 8.40 8.12 2jsaA9 ALA 20 HA 0.04 0.05 0.29 -0.75 4.34 3.96 2jsaA9 ALA 20 HB3 0.03 0.12 0.11 -0.04 1.41 1.63 2jsaA9 ASP 21 H 0.05 -0.13 -0.66 -0.55 8.40 7.11 2jsaA9 ASP 21 HA 0.03 0.26 0.85 -0.75 4.63 5.01 2jsaA9 ASP 21 HB2 0.03 0.12 -0.09 -0.04 2.71 2.72 2jsaA9 ASP 21 HB3 0.02 -0.14 -0.11 -0.04 2.70 2.43 2jsaA9 LYS 22 H 0.07 -0.12 0.04 -0.55 8.42 7.86 2jsaA9 LYS 22 HA 0.14 0.02 0.31 -0.75 4.32 4.04 2jsaA9 LYS 22 HB2 0.05 0.28 -0.14 -0.04 1.87 2.02 2jsaA9 LYS 22 HB3 0.08 -0.00 0.17 -0.04 1.79 2.00 2jsaA9 LYS 22 HG2 0.08 0.06 -0.09 -0.04 1.46 1.47 2jsaA9 LYS 22 HG3 0.18 0.03 -0.02 -0.04 1.46 1.61 2jsaA9 LYS 22 HD2 0.11 -0.09 -0.01 -0.04 1.69 1.67 2jsaA9 LYS 22 HD3 0.06 -0.06 -0.67 -0.04 1.68 0.96 2jsaA9 LYS 22 HE2 0.05 0.06 -0.07 -0.04 2.99 2.99 2jsaA9 LYS 22 HE3 0.05 0.01 -0.03 -0.04 2.99 2.98 2jsaA9 ASP 23 H -0.02 0.14 -0.02 -0.55 8.40 7.95 2jsaA9 ASP 23 HA -0.06 0.24 0.79 -0.75 4.63 4.84 2jsaA9 ASP 23 HB2 -0.01 0.07 -0.14 -0.04 2.71 2.59 2jsaA9 ASP 23 HB3 -0.03 -0.38 0.06 -0.04 2.70 2.31 2jsaA9 ALA 24 H -0.14 0.35 0.10 -0.55 8.40 8.16 2jsaA9 ALA 24 HA -0.22 0.08 0.42 -0.75 4.34 3.86 2jsaA9 ALA 24 HB3 -0.16 0.06 0.07 -0.04 1.41 1.33 2jsaA9 ASN 25 H -0.06 0.02 -0.67 -0.55 8.53 7.27 2jsaA9 ASN 25 HA -0.03 0.18 0.55 -0.75 4.76 4.71 2jsaA9 ASN 25 HB2 -0.02 -0.03 0.05 -0.04 2.88 2.84 2jsaA9 ASN 25 HB3 -0.01 0.09 -0.10 -0.04 2.79 2.73 2jsaA9 ASN 25 HD21 -0.02 -0.01 0.00 -0.04 7.03 6.96 2jsaA9 ASN 25 HD22 -0.02 0.05 -0.01 -0.04 7.74 7.73 2jsaA9 VAL 26 H -0.02 0.16 -0.09 -0.55 8.24 7.74 2jsaA9 VAL 26 HA 0.02 0.14 0.58 -0.75 4.13 4.11 2jsaA9 VAL 26 HB 0.02 0.05 0.04 -0.04 2.12 2.19 2jsaA9 VAL 26 HG13 0.02 0.03 0.09 -0.04 0.97 1.07 2jsaA9 VAL 26 HG23 0.00 -0.01 0.00 -0.04 0.95 0.90 2jsaA9 ILE 27 H -0.02 0.04 -0.61 -0.55 8.25 7.12 2jsaA9 ILE 27 HA 0.07 0.24 0.68 -0.75 4.18 4.41 2jsaA9 ILE 27 HB -0.09 -0.12 0.14 -0.04 1.89 1.78 2jsaA9 ILE 27 HG12 0.09 0.19 -0.47 -0.04 1.49 1.26 2jsaA9 ILE 27 HG13 -0.01 0.08 -0.13 -0.04 1.21 1.11 2jsaA9 ILE 27 HG23 0.07 0.00 -0.10 -0.04 0.93 0.86 2jsaA9 ILE 27 HD13 -0.30 -0.06 -0.22 -0.04 0.88 0.25 2jsaA9 LYS 28 H -0.02 0.47 0.06 -0.55 8.42 8.37 2jsaA9 LYS 28 HA 0.01 -0.02 0.38 -0.75 4.32 3.94 2jsaA9 LYS 28 HB2 -0.06 -0.08 0.18 -0.04 1.87 1.87 2jsaA9 LYS 28 HB3 -0.05 0.06 0.22 -0.04 1.79 1.97 2jsaA9 LYS 28 HG2 0.00 -0.12 0.15 -0.04 1.46 1.45 2jsaA9 LYS 28 HG3 0.00 0.05 -0.08 -0.04 1.46 1.39 2jsaA9 LYS 28 HD2 -0.04 0.07 0.03 -0.04 1.69 1.70 2jsaA9 LYS 28 HD3 -0.02 -0.02 0.05 -0.04 1.68 1.65 2jsaA9 LYS 28 HE2 -0.05 0.30 0.10 -0.04 2.99 3.31 2jsaA9 LYS 28 HE3 -0.07 -0.18 -0.03 -0.04 2.99 2.66 2jsaA9 LYS 29 H 0.04 0.22 -0.50 -0.55 8.42 7.63 2jsaA9 LYS 29 HA 0.09 0.06 0.45 -0.75 4.32 4.17 2jsaA9 LYS 29 HB2 0.04 0.18 0.17 -0.04 1.87 2.22 2jsaA9 LYS 29 HB3 0.05 -0.02 -0.04 -0.04 1.79 1.74 2jsaA9 LYS 29 HG2 0.04 -0.03 0.02 -0.04 1.46 1.45 2jsaA9 LYS 29 HG3 0.03 -0.06 0.04 -0.04 1.46 1.43 2jsaA9 LYS 29 HD2 0.01 -0.05 0.01 -0.04 1.69 1.63 2jsaA9 LYS 29 HD3 0.01 0.09 0.08 -0.04 1.68 1.82 2jsaA9 LYS 29 HE2 0.01 -0.05 -0.06 -0.04 2.99 2.85 2jsaA9 LYS 29 HE3 0.02 0.01 -0.01 -0.04 2.99 2.97 2jsaA9 ASP 30 H 0.08 0.17 -0.44 -0.55 8.40 7.66 2jsaA9 ASP 30 HA 0.06 -0.02 0.33 -0.75 4.63 4.25 2jsaA9 ASP 30 HB2 0.09 0.11 0.35 -0.04 2.71 3.21 2jsaA9 ASP 30 HB3 0.09 -0.04 -0.01 -0.04 2.70 2.70 2jsaA9 PHE 31 H 0.25 0.73 -0.30 -0.55 8.34 8.46 2jsaA9 PHE 31 HA 0.08 0.04 0.16 -0.75 4.62 4.15 2jsaA9 PHE 31 HB2 0.12 -0.03 -0.12 -0.04 3.15 3.09 2jsaA9 PHE 31 HB3 0.10 0.26 0.05 -0.04 3.06 3.43 2jsaA9 PHE 31 HD2 0.14 -0.04 -0.17 -0.04 7.28 7.17 2jsaA9 PHE 31 HE2 -0.05 -0.06 0.08 -0.04 7.38 7.30 2jsaA9 PHE 31 HZ -0.45 -0.03 -0.04 -0.04 7.32 6.76 2jsaA9 ASP 32 H 0.47 0.45 -0.14 -0.55 8.40 8.63 2jsaA9 ASP 32 HA 0.19 -0.11 0.27 -0.75 4.63 4.22 2jsaA9 ASP 32 HB2 0.26 0.07 0.13 -0.04 2.71 3.13 2jsaA9 ASP 32 HB3 0.13 0.16 0.05 -0.04 2.70 3.01 2jsaA9 ALA 33 H 0.08 0.52 -0.61 -0.55 8.40 7.83 2jsaA9 ALA 33 HA 0.02 -0.04 0.46 -0.75 4.34 4.02 2jsaA9 ALA 33 HB3 0.02 0.07 0.15 -0.04 1.41 1.61 2jsaA9 GLU 34 H -0.05 0.58 0.08 -0.55 8.60 8.66 2jsaA9 GLU 34 HA -0.10 0.04 0.63 -0.75 4.29 4.11 2jsaA9 GLU 34 HB2 -0.05 0.01 0.07 -0.04 2.09 2.08 2jsaA9 GLU 34 HB3 -0.10 0.04 0.10 -0.04 1.99 1.99 2jsaA9 GLU 34 HG2 -0.08 0.03 0.05 -0.04 2.34 2.30 2jsaA9 GLU 34 HG3 -0.17 -0.04 0.18 -0.04 2.34 2.26 2jsaA9 CYS 35 H -0.10 0.27 -1.07 -0.55 8.50 7.05 2jsaA9 CYS 35 HA -0.01 0.14 0.89 -0.75 4.58 4.85 2jsaA9 CYS 35 HB2 -0.82 0.26 -0.39 -0.04 2.97 1.98 2jsaA9 CYS 35 HB3 -0.07 -0.02 0.02 -0.04 2.97 2.86 2jsaA9 LYS 36 H 0.02 0.85 0.23 -0.55 8.42 8.97 2jsaA9 LYS 36 HA 0.12 0.01 0.33 -0.75 4.32 4.03 2jsaA9 LYS 36 HB2 0.05 0.23 0.21 -0.04 1.87 2.33 2jsaA9 LYS 36 HB3 0.06 0.02 -0.00 -0.04 1.79 1.83 2jsaA9 LYS 36 HG2 0.10 -0.12 0.04 -0.04 1.46 1.44 2jsaA9 LYS 36 HG3 0.09 0.02 0.06 -0.04 1.46 1.60 2jsaA9 LYS 36 HD2 0.06 0.05 -0.01 -0.04 1.69 1.75 2jsaA9 LYS 36 HD3 0.08 -0.01 -0.00 -0.04 1.68 1.70 2jsaA9 LYS 36 HE2 0.08 -0.07 -0.11 -0.04 2.99 2.85 2jsaA9 LYS 36 HE3 0.09 0.00 -0.05 -0.04 2.99 3.00 2jsaA9 LYS 37 H -0.01 0.31 -0.08 -0.55 8.42 8.09 2jsaA9 LYS 37 HA 0.04 0.12 0.53 -0.75 4.32 4.25 2jsaA9 LYS 37 HB2 -0.04 0.08 0.15 -0.04 1.87 2.02 2jsaA9 LYS 37 HB3 -0.02 -0.01 0.03 -0.04 1.79 1.75 2jsaA9 LYS 37 HG2 -0.00 -0.03 0.12 -0.04 1.46 1.51 2jsaA9 LYS 37 HG3 -0.02 0.01 0.07 -0.04 1.46 1.48 2jsaA9 LYS 37 HD2 -0.04 -0.00 0.01 -0.04 1.69 1.62 2jsaA9 LYS 37 HD3 -0.05 0.01 0.03 -0.04 1.68 1.63 2jsaA9 LYS 37 HE2 -0.01 0.01 -0.01 -0.04 2.99 2.94 2jsaA9 LYS 37 HE3 -0.03 -0.00 -0.03 -0.04 2.99 2.89 2jsaA9 LEU 38 H -0.13 0.02 -0.51 -0.55 8.37 7.19 2jsaA9 LEU 38 HA -0.19 0.11 0.46 -0.75 4.35 3.98 2jsaA9 LEU 38 HB2 -0.35 -0.00 0.03 -0.04 1.64 1.27 2jsaA9 LEU 38 HB3 -0.45 0.18 -0.22 -0.04 1.64 1.11 2jsaA9 LEU 38 HG -2.27 -0.03 -0.15 -0.04 1.64 -0.86 2jsaA9 LEU 38 HD13 -0.54 -0.03 -0.12 -0.04 0.93 0.21 2jsaA9 LEU 38 HD23 -0.88 0.04 0.07 -0.04 0.89 0.08 2jsaA9 PHE 39 H -0.22 0.78 -0.05 -0.55 8.34 8.30 2jsaA9 PHE 39 HA -0.10 0.01 0.57 -0.75 4.62 4.35 2jsaA9 PHE 39 HB2 -0.06 0.15 -0.05 -0.04 3.15 3.15 2jsaA9 PHE 39 HB3 -0.06 -0.17 0.10 -0.04 3.06 2.88 2jsaA9 PHE 39 HD2 -0.13 -0.04 0.05 -0.04 7.28 7.12 2jsaA9 PHE 39 HE2 -0.21 -0.00 0.00 -0.04 7.38 7.13 2jsaA9 PHE 39 HZ -0.11 -0.03 -0.08 -0.04 7.32 7.05 2jsaA9 HIS 40 H 0.03 0.21 -1.37 -0.55 8.41 6.73 2jsaA9 HIS 40 HA 0.03 0.01 0.40 -0.75 4.63 4.31 2jsaA9 HIS 40 HB2 -0.00 -0.11 0.17 -0.04 3.26 3.28 2jsaA9 HIS 40 HB3 -0.03 0.11 0.18 -0.04 3.20 3.41 2jsaA9 HIS 40 HD2 -0.05 0.31 0.11 -0.04 6.97 7.30 2jsaA9 HIS 40 HE1 -0.02 -0.05 -0.06 -0.04 7.75 7.58 2jsaA9 THR 41 H -0.29 0.00 -0.66 -0.55 8.28 6.79 2jsaA9 THR 41 HA -0.21 0.14 0.66 -0.75 4.39 4.23 2jsaA9 THR 41 HB -0.18 -0.02 -0.02 -0.04 4.32 4.06 2jsaA9 THR 41 HG23 -0.62 0.01 -0.04 -0.04 1.22 0.54 2jsaA9 ILE 42 H -0.05 -0.03 -0.02 -0.55 8.25 7.60 2jsaA9 ILE 42 HA -0.07 0.05 0.35 -0.75 4.18 3.76 2jsaA9 ILE 42 HB 0.02 -0.07 0.04 -0.04 1.89 1.84 2jsaA9 ILE 42 HG12 0.17 -0.05 0.18 -0.04 1.49 1.75 2jsaA9 ILE 42 HG13 0.28 -0.02 0.07 -0.04 1.21 1.49 2jsaA9 ILE 42 HG23 -0.05 0.01 0.02 -0.04 0.93 0.86 2jsaA9 ILE 42 HD13 0.04 0.01 0.06 -0.04 0.88 0.95 2jsaA9 PRO 43 HA -0.56 0.19 0.63 -0.51 4.44 4.18 2jsaA9 PRO 43 HB2 -1.09 0.02 0.13 -0.04 2.28 1.29 2jsaA9 PRO 43 HB3 -0.53 0.08 0.14 -0.04 2.02 1.67 2jsaA9 PRO 43 HG2 -0.17 0.00 0.16 -0.04 2.03 1.97 2jsaA9 PRO 43 HG3 -0.18 0.07 0.11 -0.04 2.03 1.98 2jsaA9 PRO 43 HD2 -0.11 0.02 0.19 -0.04 3.68 3.74 2jsaA9 PRO 43 HD3 -0.13 0.15 0.18 -0.04 3.65 3.81 2jsaA9 PHE 44 H -0.21 0.39 0.27 -0.55 8.34 8.24 2jsaA9 PHE 44 HA 0.01 0.03 0.36 -0.75 4.62 4.26 2jsaA9 PHE 44 HB2 -0.01 0.18 0.25 -0.04 3.15 3.53 2jsaA9 PHE 44 HB3 -0.01 -0.04 0.12 -0.04 3.06 3.09 2jsaA9 PHE 44 HD2 -0.00 0.03 -0.03 -0.04 7.28 7.24 2jsaA9 PHE 44 HE2 -0.00 0.02 -0.02 -0.04 7.38 7.33 2jsaA9 PHE 44 HZ -0.00 0.02 -0.02 -0.04 7.32 7.27 2jsaA9 GLY 45 H -0.03 0.18 -1.19 -0.55 8.43 6.85 2jsaA9 GLY 45 HA2 -0.02 0.03 0.20 -0.51 4.01 3.71 2jsaA9 GLY 45 HA3 -0.02 0.11 0.12 -0.51 4.01 3.71 2jsaA9 THR 46 H 0.07 0.25 -0.42 -0.55 8.28 7.64 2jsaA9 THR 46 HA 0.10 0.03 0.25 -0.75 4.39 4.01 2jsaA9 THR 46 HB 0.09 0.00 -0.00 -0.04 4.32 4.37 2jsaA9 THR 46 HG23 0.10 0.05 -0.03 -0.04 1.22 1.29 2jsaA9 ARG 47 H 0.11 0.25 -0.27 -0.55 8.46 7.99 2jsaA9 ARG 47 HA 0.09 0.02 0.33 -0.75 4.34 4.03 2jsaA9 ARG 47 HB2 0.08 0.25 0.13 -0.04 1.90 2.31 2jsaA9 ARG 47 HB3 0.03 -0.01 -0.01 -0.04 1.80 1.78 2jsaA9 ARG 47 HG2 0.11 -0.08 0.08 -0.04 1.67 1.74 2jsaA9 ARG 47 HG3 0.05 0.01 0.05 -0.04 1.67 1.75 2jsaA9 ARG 47 HD2 0.05 0.01 0.03 -0.04 3.22 3.27 2jsaA9 ARG 47 HD3 0.07 -0.03 -0.01 -0.04 3.22 3.20 2jsaA9 GLU 48 H 0.07 0.37 -0.41 -0.55 8.60 8.07 2jsaA9 GLU 48 HA 0.11 0.08 0.42 -0.75 4.29 4.14 2jsaA9 GLU 48 HB2 -0.00 0.13 0.10 -0.04 2.09 2.27 2jsaA9 GLU 48 HB3 0.01 -0.07 -0.11 -0.04 1.99 1.78 2jsaA9 GLU 48 HG2 0.01 0.03 -0.07 -0.04 2.34 2.27 2jsaA9 GLU 48 HG3 0.00 -0.06 -0.04 -0.04 2.34 2.19 2jsaA9 CYS 49 H 0.09 0.50 -0.15 -0.55 8.50 8.40 2jsaA9 CYS 49 HA 0.43 0.00 0.34 -0.75 4.58 4.60 2jsaA9 CYS 49 HB2 0.17 0.21 0.19 -0.04 2.97 3.50 2jsaA9 CYS 49 HB3 0.29 -0.06 -0.04 -0.04 2.97 3.11 2jsaA9 ASP 50 H 0.18 0.62 -0.05 -0.55 8.40 8.61 2jsaA9 ASP 50 HA 0.16 0.02 0.39 -0.75 4.63 4.45 2jsaA9 ASP 50 HB2 0.12 0.04 0.09 -0.04 2.71 2.92 2jsaA9 ASP 50 HB3 0.12 0.10 -0.08 -0.04 2.70 2.81 2jsaA9 HIS 51 H 0.22 0.23 -0.78 -0.55 8.41 7.53 2jsaA9 HIS 51 HA 0.03 0.10 0.47 -0.75 4.63 4.46 2jsaA9 HIS 51 HB2 0.05 0.28 0.15 -0.04 3.26 3.70 2jsaA9 HIS 51 HB3 0.06 -0.01 0.06 -0.04 3.20 3.28 2jsaA9 HIS 51 HD2 0.01 -0.04 0.03 -0.04 6.97 6.92 2jsaA9 HIS 51 HE1 -0.00 -0.01 0.00 -0.04 7.75 7.69 2jsaA9 TYR 52 H 0.18 0.45 -0.70 -0.55 8.29 7.67 2jsaA9 TYR 52 HA -0.12 0.05 0.77 -0.75 4.56 4.51 2jsaA9 TYR 52 HB2 0.01 0.21 0.12 -0.04 3.06 3.35 2jsaA9 TYR 52 HB3 -0.67 0.08 0.08 -0.04 2.98 2.43 2jsaA9 TYR 52 HD2 -0.78 0.03 -0.11 -0.04 7.15 6.25 2jsaA9 TYR 52 HE2 -0.03 0.01 -0.27 -0.04 6.85 6.52 2jsaA9 VAL 53 H -0.02 0.41 -0.05 -0.55 8.24 8.03 2jsaA9 VAL 53 HA -0.21 0.00 0.73 -0.75 4.13 3.90 2jsaA9 VAL 53 HB -0.01 -0.13 0.21 -0.04 2.12 2.16 2jsaA9 VAL 53 HG13 0.05 0.04 0.08 -0.04 0.97 1.10 2jsaA9 VAL 53 HG23 0.04 0.04 0.08 -0.04 0.95 1.07 2jsaA9 ASN 54 H -0.18 -0.00 -1.01 -0.55 8.53 6.78 2jsaA9 ASN 54 HA -0.12 0.01 0.34 -0.75 4.76 4.24 2jsaA9 ASN 54 HB2 -0.08 0.15 -0.39 -0.04 2.88 2.53 2jsaA9 ASN 54 HB3 -0.16 0.04 0.12 -0.04 2.79 2.75 2jsaA9 ASN 54 HD21 -0.09 0.02 0.05 -0.04 7.03 6.97 2jsaA9 ASN 54 HD22 -0.06 -0.02 0.04 -0.04 7.74 7.66 2jsaA9 SER 55 H -0.21 -0.29 0.14 -0.55 8.46 7.56 2jsaA9 SER 55 HA -0.15 0.08 0.39 -0.75 4.49 4.05 2jsaA9 SER 55 HB2 -0.27 0.14 -0.41 -0.04 3.95 3.37 2jsaA9 SER 55 HB3 -0.13 0.02 0.01 -0.04 3.93 3.78 2jsaA9 LYS 56 H -0.34 0.11 0.28 -0.55 8.42 7.92 2jsaA9 LYS 56 HA -0.32 0.24 0.99 -0.75 4.32 4.48 2jsaA9 LYS 56 HB2 -1.79 0.05 0.17 -0.04 1.87 0.26 2jsaA9 LYS 56 HB3 -0.74 0.00 0.18 -0.04 1.79 1.19 2jsaA9 LYS 56 HG2 -0.22 0.02 -0.02 -0.04 1.46 1.20 2jsaA9 LYS 56 HG3 -0.07 0.01 -0.00 -0.04 1.46 1.35 2jsaA9 LYS 56 HD2 -0.06 -0.02 -0.02 -0.04 1.69 1.54 2jsaA9 LYS 56 HD3 -0.17 0.12 -0.13 -0.04 1.68 1.47 2jsaA9 LYS 56 HE2 -0.03 0.05 -0.07 -0.04 2.99 2.90 2jsaA9 LYS 56 HE3 0.02 0.09 -0.08 -0.04 2.99 2.98 2jsaA9 VAL 57 H -0.31 -0.29 0.25 -0.55 8.24 7.34 2jsaA9 VAL 57 HA -0.22 0.16 0.88 -0.75 4.13 4.20 2jsaA9 VAL 57 HB -0.21 -0.10 0.26 -0.04 2.12 2.02 2jsaA9 VAL 57 HG13 -0.10 0.01 -0.12 -0.04 0.97 0.72 2jsaA9 VAL 57 HG23 -0.26 0.04 -0.00 -0.04 0.95 0.69 2jsaA9 ASP 58 H -0.16 -0.08 0.02 -0.55 8.40 7.64 2jsaA9 ASP 58 HA -0.07 0.07 0.29 -0.75 4.63 4.17 2jsaA9 ASP 58 HB2 -0.11 -0.11 0.03 -0.04 2.71 2.48 2jsaA9 ASP 58 HB3 -0.09 0.11 -0.15 -0.04 2.70 2.53 2jsaA9 PRO 59 HA -0.30 0.17 0.43 -0.51 4.44 4.22 2jsaA9 PRO 59 HB2 -0.26 0.06 -0.05 -0.04 2.28 1.98 2jsaA9 PRO 59 HB3 -0.29 0.09 0.02 -0.04 2.02 1.80 2jsaA9 PRO 59 HG2 -0.21 0.02 -0.02 -0.04 2.03 1.77 2jsaA9 PRO 59 HG3 -0.18 0.39 0.05 -0.04 2.03 2.25 2jsaA9 PRO 59 HD2 -0.20 -0.21 -0.96 -0.04 3.68 2.26 2jsaA9 PRO 59 HD3 -0.16 0.10 -0.20 -0.04 3.65 3.35 2jsaA9 ILE 60 H -0.14 0.26 -0.31 -0.55 8.25 7.52 2jsaA9 ILE 60 HA 0.03 0.01 0.38 -0.75 4.18 3.85 2jsaA9 ILE 60 HB -0.10 0.09 0.39 -0.04 1.89 2.23 2jsaA9 ILE 60 HG12 -0.01 -0.11 0.07 -0.04 1.49 1.40 2jsaA9 ILE 60 HG13 -0.15 0.05 0.22 -0.04 1.21 1.28 2jsaA9 ILE 60 HG23 0.08 -0.03 -0.05 -0.04 0.93 0.89 2jsaA9 ILE 60 HD13 -0.07 0.00 0.14 -0.04 0.88 0.91 2jsaA9 ILE 61 H 0.01 0.74 -0.10 -0.55 8.25 8.36 2jsaA9 ILE 61 HA 0.28 -0.05 0.38 -0.75 4.18 4.04 2jsaA9 ILE 61 HB -0.02 0.15 -0.01 -0.04 1.89 1.96 2jsaA9 ILE 61 HG12 0.11 -0.08 -0.01 -0.04 1.49 1.46 2jsaA9 ILE 61 HG13 -0.05 0.20 0.06 -0.04 1.21 1.38 2jsaA9 ILE 61 HG23 -0.27 -0.02 -0.02 -0.04 0.93 0.58 2jsaA9 ILE 61 HD13 -0.25 -0.02 -0.02 -0.04 0.88 0.55 2jsaA9 HIS 62 H 0.16 0.15 -1.02 -0.55 8.41 7.15 2jsaA9 HIS 62 HA 0.02 0.00 0.42 -0.75 4.63 4.32 2jsaA9 HIS 62 HB2 -0.01 -0.08 0.14 -0.04 3.26 3.27 2jsaA9 HIS 62 HB3 -0.02 0.03 0.44 -0.04 3.20 3.61 2jsaA9 HIS 62 HD2 -0.01 -0.02 -0.02 -0.04 6.97 6.88 2jsaA9 HIS 62 HE1 -0.00 -0.06 -0.09 -0.04 7.75 7.55 2jsaA9 GLU 63 H 0.28 0.54 -0.20 -0.55 8.60 8.67 2jsaA9 GLU 63 HA -0.17 0.13 0.64 -0.75 4.29 4.13 2jsaA9 GLU 63 HB2 0.16 0.16 0.24 -0.04 2.09 2.61 2jsaA9 GLU 63 HB3 0.05 -0.08 -0.03 -0.04 1.99 1.89 2jsaA9 GLU 63 HG2 0.07 -0.02 -0.02 -0.04 2.34 2.33 2jsaA9 GLU 63 HG3 0.12 0.05 -0.06 -0.04 2.34 2.40 2jsaA9 LEU 64 H 0.09 0.42 0.09 -0.55 8.37 8.42 2jsaA9 LEU 64 HA -0.04 0.41 0.33 -0.75 4.35 4.30 2jsaA9 LEU 64 HB2 0.10 -0.03 0.07 -0.04 1.64 1.73 2jsaA9 LEU 64 HB3 -0.25 0.03 -0.01 -0.04 1.64 1.38 2jsaA9 LEU 64 HG 0.06 0.01 0.00 -0.04 1.64 1.67 2jsaA9 LEU 64 HD13 0.15 -0.03 -0.08 -0.04 0.93 0.92 2jsaA9 LEU 64 HD23 -0.03 0.02 -0.24 -0.04 0.89 0.60 2jsaA9 GLU 65 H 0.19 0.51 -0.26 -0.55 8.60 8.49 2jsaA9 GLU 65 HA 0.15 0.01 0.37 -0.75 4.29 4.06 2jsaA9 GLU 65 HB2 0.12 -0.08 0.03 -0.04 2.09 2.13 2jsaA9 GLU 65 HB3 0.25 0.01 0.12 -0.04 1.99 2.33 2jsaA9 GLU 65 HG2 0.06 -0.12 -0.01 -0.04 2.34 2.23 2jsaA9 GLU 65 HG3 0.03 -0.04 -0.05 -0.04 2.34 2.24 2jsaA9 GLY 66 H -0.02 0.15 -0.56 -0.55 8.43 7.46 2jsaA9 GLY 66 HA2 -0.04 0.00 0.43 -0.51 4.01 3.90 2jsaA9 GLY 66 HA3 -0.09 0.01 0.37 -0.51 4.01 3.79 2jsaA9 GLY 67 H -0.03 0.32 -0.38 -0.55 8.43 7.80 2jsaA9 GLY 67 HA2 -0.03 0.05 0.25 -0.51 4.01 3.77 2jsaA9 GLY 67 HA3 -0.03 0.11 0.83 -0.51 4.01 4.41 2jsaA9 THR 68 H -0.03 0.43 0.07 -0.55 8.28 8.20 2jsaA9 THR 68 HA -0.02 0.05 0.43 -0.75 4.39 4.11 2jsaA9 THR 68 HB -0.01 -0.09 -0.31 -0.04 4.32 3.87 2jsaA9 THR 68 HG23 0.01 0.04 -0.09 -0.04 1.22 1.14 2jsaA9 ALA 69 H -0.01 0.06 0.16 -0.55 8.40 8.07 2jsaA9 ALA 69 HA -0.03 0.32 0.65 -0.75 4.34 4.52 2jsaA9 ALA 69 HB3 -0.01 0.03 0.12 -0.04 1.41 1.51 2jsaA9 PRO 70 HA 0.03 0.09 0.49 -0.51 4.44 4.53 2jsaA9 PRO 70 HB2 0.03 0.07 0.07 -0.04 2.28 2.41 2jsaA9 PRO 70 HB3 0.01 -0.00 0.10 -0.04 2.02 2.09 2jsaA9 PRO 70 HG2 0.00 0.08 0.02 -0.04 2.03 2.09 2jsaA9 PRO 70 HG3 -0.02 0.09 0.05 -0.04 2.03 2.12 2jsaA9 PRO 70 HD2 -0.01 0.11 0.19 -0.04 3.68 3.93 2jsaA9 PRO 70 HD3 -0.03 0.25 0.23 -0.04 3.65 4.07 2jsaA9 LYS 71 H 0.01 -0.00 -0.57 -0.55 8.42 7.31 2jsaA9 LYS 71 HA 0.03 0.28 0.82 -0.75 4.32 4.70 2jsaA9 LYS 71 HB2 0.01 -0.03 -0.02 -0.04 1.87 1.80 2jsaA9 LYS 71 HB3 0.02 0.07 0.05 -0.04 1.79 1.89 2jsaA9 LYS 71 HG2 0.02 0.07 -0.04 -0.04 1.46 1.48 2jsaA9 LYS 71 HG3 0.02 -0.09 -0.32 -0.04 1.46 1.03 2jsaA9 LYS 71 HD2 0.01 0.02 -0.03 -0.04 1.69 1.65 2jsaA9 LYS 71 HD3 0.01 0.03 -0.04 -0.04 1.68 1.64 2jsaA9 LYS 71 HE2 0.01 -0.06 -0.05 -0.04 2.99 2.85 2jsaA9 LYS 71 HE3 0.00 -0.00 -0.02 -0.04 2.99 2.93 2jsaA9 ASP 72 H 0.02 0.07 -0.29 -0.55 8.40 7.66 2jsaA9 ASP 72 HA 0.02 0.26 0.64 -0.75 4.63 4.80 2jsaA9 ASP 72 HB2 0.01 -0.05 0.14 -0.04 2.71 2.77 2jsaA9 ASP 72 HB3 0.02 0.04 -0.03 -0.04 2.70 2.69 2jsaA9 VAL 73 H 0.03 0.32 -0.02 -0.55 8.24 8.02 2jsaA9 VAL 73 HA 0.06 0.05 0.42 -0.75 4.13 3.90 2jsaA9 VAL 73 HB 0.06 0.02 0.08 -0.04 2.12 2.24 2jsaA9 VAL 73 HG13 0.08 0.00 0.07 -0.04 0.97 1.07 2jsaA9 VAL 73 HG23 0.05 0.17 0.02 -0.04 0.95 1.14 2jsaA9 CYS 74 H 0.05 0.15 -0.38 -0.55 8.50 7.78 2jsaA9 CYS 74 HA 0.05 0.07 0.40 -0.75 4.58 4.35 2jsaA9 CYS 74 HB2 0.05 0.02 0.16 -0.04 2.97 3.16 2jsaA9 CYS 74 HB3 0.08 0.34 0.22 -0.04 2.97 3.57 2jsaA9 THR 75 H 0.03 0.33 -0.05 -0.55 8.28 8.05 2jsaA9 THR 75 HA 0.02 0.04 0.24 -0.75 4.39 3.94 2jsaA9 THR 75 HB 0.03 0.02 -0.70 -0.04 4.32 3.62 2jsaA9 THR 75 HG23 0.02 -0.01 -0.15 -0.04 1.22 1.03 2jsaA9 LYS 76 H 0.03 0.46 0.11 -0.55 8.42 8.47 2jsaA9 LYS 76 HA 0.02 0.16 0.61 -0.75 4.32 4.35 2jsaA9 LYS 76 HB2 0.04 0.11 0.20 -0.04 1.87 2.18 2jsaA9 LYS 76 HB3 0.05 0.00 0.01 -0.04 1.79 1.81 2jsaA9 LYS 76 HG2 0.02 0.00 0.04 -0.04 1.46 1.49 2jsaA9 LYS 76 HG3 0.02 0.01 -0.00 -0.04 1.46 1.45 2jsaA9 LYS 76 HD2 0.02 -0.01 -0.05 -0.04 1.69 1.62 2jsaA9 LYS 76 HD3 0.03 -0.02 -0.03 -0.04 1.68 1.63 2jsaA9 LYS 76 HE2 0.02 0.01 -0.01 -0.04 2.99 2.97 2jsaA9 LYS 76 HE3 0.01 -0.01 -0.02 -0.04 2.99 2.93 2jsaA9 LEU 77 H 0.02 0.28 0.13 -0.55 8.37 8.26 2jsaA9 LEU 77 HA -0.01 0.22 0.60 -0.75 4.35 4.41 2jsaA9 LEU 77 HB2 -0.03 -0.01 0.07 -0.04 1.64 1.63 2jsaA9 LEU 77 HB3 -0.07 0.04 0.13 -0.04 1.64 1.70 2jsaA9 LEU 77 HG 0.03 0.00 0.03 -0.04 1.64 1.66 2jsaA9 LEU 77 HD13 -0.29 0.00 -0.11 -0.04 0.93 0.49 2jsaA9 LEU 77 HD23 0.03 0.00 -0.21 -0.04 0.89 0.67 2jsaA9 ASN 78 H 0.01 0.17 -1.26 -0.55 8.53 6.91 2jsaA9 ASN 78 HA 0.02 0.11 0.09 -0.75 4.76 4.22 2jsaA9 ASN 78 HB2 0.00 0.12 -0.34 -0.04 2.88 2.62 2jsaA9 ASN 78 HB3 0.01 -0.06 0.17 -0.04 2.79 2.87 2jsaA9 ASN 78 HD21 0.00 -0.03 -0.02 -0.04 7.03 6.94 2jsaA9 ASN 78 HD22 0.01 -0.00 -0.02 -0.04 7.74 7.69 2jsaA9 GLU 79 H 0.02 -0.05 -0.55 -0.55 8.60 7.48 2jsaA9 GLU 79 HA 0.05 0.21 0.77 -0.75 4.29 4.56 2jsaA9 GLU 79 HB2 0.06 -0.00 0.06 -0.04 2.09 2.17 2jsaA9 GLU 79 HB3 -0.01 0.15 -0.11 -0.04 1.99 1.98 2jsaA9 GLU 79 HG2 0.03 -0.12 0.01 -0.04 2.34 2.22 2jsaA9 GLU 79 HG3 0.05 -0.03 0.07 -0.04 2.34 2.39 2jsaA9 CYS 80 H 0.04 0.24 -0.52 -0.55 8.50 7.72 2jsaA9 CYS 80 HA 0.06 -0.10 0.29 -0.75 4.58 4.07 2jsaA9 CYS 80 HB2 0.05 -0.13 -0.58 -0.04 2.97 2.27 2jsaA9 CYS 80 HB3 0.04 0.09 0.01 -0.04 2.97 3.06 2jsaA9 PRO 81 HA 0.02 0.23 0.26 -0.51 4.44 4.44 2jsaA9 PRO 81 HB2 0.02 0.15 -0.15 -0.04 2.28 2.25 2jsaA9 PRO 81 HB3 0.02 0.15 -0.01 -0.04 2.02 2.14 2jsaA9 PRO 81 HG2 0.02 -0.38 -0.15 -0.04 2.03 1.49 2jsaA9 PRO 81 HG3 0.03 0.23 -0.07 -0.04 2.03 2.18 2jsaA9 PRO 81 HD2 0.04 -0.08 -0.05 -0.04 3.68 3.55 2jsaA9 PRO 81 HD3 0.05 0.11 -0.05 -0.04 3.65 3.71