============================================================================= 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 -7.850 0.735 6.344 -99.200 -91.000 PHE 31 1.000 0.217 -2.040 -3.249 -99.200 -91.000 PHE 39 1.000 4.304 1.910 -10.554 -99.200 -91.000 HIS 40 0.900 2.557 -6.049 -17.637 -99.200 -91.000 PHE 44 1.000 12.285 -7.326 -6.778 -99.200 -91.000 HIS 51 0.900 8.411 -9.191 -0.006 -99.200 -91.000 TYR 52 0.840 3.643 -0.963 0.159 -99.200 -91.000 HIS 62 0.900 0.077 0.953 12.829 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2jsaA1 ARG 1 H 0.02 0.00 -0.05 -0.55 8.46 7.88 2jsaA1 ARG 1 HA 0.02 -0.04 0.17 -0.75 4.34 3.74 2jsaA1 ARG 1 HB2 0.04 -0.10 0.04 -0.04 1.90 1.84 2jsaA1 ARG 1 HB3 0.04 -0.14 -0.10 -0.04 1.80 1.55 2jsaA1 ARG 1 HG2 0.05 -0.06 -0.03 -0.04 1.67 1.59 2jsaA1 ARG 1 HG3 0.03 -0.00 0.00 -0.04 1.67 1.66 2jsaA1 ARG 1 HD2 0.04 0.18 0.00 -0.04 3.22 3.40 2jsaA1 ARG 1 HD3 0.06 -0.00 -0.01 -0.04 3.22 3.22 2jsaA1 SER 2 H 0.03 0.05 0.16 -0.55 8.46 8.15 2jsaA1 SER 2 HA 0.03 0.04 0.42 -0.75 4.49 4.23 2jsaA1 SER 2 HB2 0.02 -0.05 -0.23 -0.04 3.95 3.64 2jsaA1 SER 2 HB3 0.01 0.09 0.26 -0.04 3.93 4.26 2jsaA1 ALA 3 H 0.03 0.18 0.14 -0.55 8.40 8.20 2jsaA1 ALA 3 HA 0.02 0.17 0.38 -0.75 4.34 4.16 2jsaA1 ALA 3 HB3 0.02 0.09 0.01 -0.04 1.41 1.49 2jsaA1 LEU 4 H 0.05 0.29 0.13 -0.55 8.37 8.28 2jsaA1 LEU 4 HA 0.08 0.08 0.43 -0.75 4.35 4.19 2jsaA1 LEU 4 HB2 0.27 0.05 0.10 -0.04 1.64 2.02 2jsaA1 LEU 4 HB3 0.10 0.06 0.13 -0.04 1.64 1.89 2jsaA1 LEU 4 HG 0.29 0.07 -0.05 -0.04 1.64 1.91 2jsaA1 LEU 4 HD13 0.08 0.03 -0.18 -0.04 0.93 0.82 2jsaA1 LEU 4 HD23 0.16 -0.01 -0.22 -0.04 0.89 0.78 2jsaA1 SER 5 H 0.04 0.02 -0.66 -0.55 8.46 7.31 2jsaA1 SER 5 HA -0.03 0.07 0.25 -0.75 4.49 4.02 2jsaA1 SER 5 HB2 0.06 0.17 -0.07 -0.04 3.95 4.07 2jsaA1 SER 5 HB3 0.05 0.04 0.00 -0.04 3.93 3.97 2jsaA1 CYS 6 H 0.04 0.28 -0.21 -0.55 8.50 8.07 2jsaA1 CYS 6 HA 0.07 0.01 0.36 -0.75 4.58 4.27 2jsaA1 CYS 6 HB2 0.03 0.02 0.11 -0.04 2.97 3.10 2jsaA1 CYS 6 HB3 0.04 0.01 0.04 -0.04 2.97 3.02 2jsaA1 GLN 7 H 0.03 0.13 -0.15 -0.55 8.47 7.94 2jsaA1 GLN 7 HA 0.00 0.02 0.31 -0.75 4.36 3.94 2jsaA1 GLN 7 HB2 0.03 0.05 0.22 -0.04 2.15 2.41 2jsaA1 GLN 7 HB3 -0.09 0.01 -0.03 -0.04 2.02 1.88 2jsaA1 GLN 7 HG2 -0.05 0.03 -0.02 -0.04 2.40 2.31 2jsaA1 GLN 7 HG3 -0.00 -0.02 0.04 -0.04 2.39 2.37 2jsaA1 GLN 7 HE21 0.02 0.00 -0.01 -0.04 6.97 6.95 2jsaA1 GLN 7 HE22 0.05 0.01 -0.03 -0.04 7.69 7.68 2jsaA1 MET 8 H -0.06 0.53 -0.24 -0.55 8.47 8.14 2jsaA1 MET 8 HA 0.05 -0.01 0.33 -0.75 4.52 4.13 2jsaA1 MET 8 HB2 -0.65 0.29 0.11 -0.04 2.15 1.86 2jsaA1 MET 8 HB3 -0.83 -0.06 -0.05 -0.04 2.03 1.05 2jsaA1 MET 8 HG2 -0.01 -0.03 -0.05 -0.04 2.63 2.50 2jsaA1 MET 8 HG3 -0.11 0.02 -0.03 -0.04 2.56 2.40 2jsaA1 MET 8 HE3 0.13 -0.02 -0.16 -0.04 2.10 2.02 2jsaA1 CYS 9 H 0.12 0.52 -0.13 -0.55 8.50 8.46 2jsaA1 CYS 9 HA 0.43 -0.03 0.44 -0.75 4.58 4.67 2jsaA1 CYS 9 HB2 0.18 -0.10 0.11 -0.04 2.97 3.12 2jsaA1 CYS 9 HB3 0.25 0.09 0.15 -0.04 2.97 3.42 2jsaA1 GLU 10 H 0.11 0.63 -0.35 -0.55 8.60 8.44 2jsaA1 GLU 10 HA 0.07 -0.02 0.64 -0.75 4.29 4.22 2jsaA1 GLU 10 HB2 0.04 0.01 0.06 -0.04 2.09 2.16 2jsaA1 GLU 10 HB3 0.02 0.01 0.04 -0.04 1.99 2.02 2jsaA1 GLU 10 HG2 0.02 -0.03 0.09 -0.04 2.34 2.38 2jsaA1 GLU 10 HG3 0.03 0.01 0.05 -0.04 2.34 2.39 2jsaA1 LEU 11 H 0.21 0.55 -0.42 -0.55 8.37 8.17 2jsaA1 LEU 11 HA 0.04 0.14 0.72 -0.75 4.35 4.49 2jsaA1 LEU 11 HB2 -0.17 -0.02 -0.03 -0.04 1.64 1.39 2jsaA1 LEU 11 HB3 0.17 0.16 0.23 -0.04 1.64 2.16 2jsaA1 LEU 11 HG -0.05 -0.08 -0.17 -0.04 1.64 1.30 2jsaA1 LEU 11 HD13 -0.14 0.01 0.03 -0.04 0.93 0.79 2jsaA1 LEU 11 HD23 -1.48 0.08 -0.02 -0.04 0.89 -0.57 2jsaA1 VAL 12 H 0.42 0.50 0.09 -0.55 8.24 8.70 2jsaA1 VAL 12 HA 0.25 0.12 0.45 -0.75 4.13 4.19 2jsaA1 VAL 12 HB -0.02 -0.03 0.01 -0.04 2.12 2.04 2jsaA1 VAL 12 HG13 -0.17 0.05 -0.05 -0.04 0.97 0.76 2jsaA1 VAL 12 HG23 0.08 0.06 0.11 -0.04 0.95 1.15 2jsaA1 VAL 13 H 0.15 0.47 -0.02 -0.55 8.24 8.29 2jsaA1 VAL 13 HA 0.19 0.03 0.43 -0.75 4.13 4.02 2jsaA1 VAL 13 HB 0.03 -0.03 0.05 -0.04 2.12 2.13 2jsaA1 VAL 13 HG13 0.08 0.02 0.09 -0.04 0.97 1.12 2jsaA1 VAL 13 HG23 0.07 0.12 0.24 -0.04 0.95 1.34 2jsaA1 LYS 14 H 0.08 0.24 -0.33 -0.55 8.42 7.86 2jsaA1 LYS 14 HA 0.02 -0.02 0.27 -0.75 4.32 3.85 2jsaA1 LYS 14 HB2 0.03 0.03 0.19 -0.04 1.87 2.08 2jsaA1 LYS 14 HB3 0.04 0.09 0.12 -0.04 1.79 2.00 2jsaA1 LYS 14 HG2 0.01 0.02 -0.10 -0.04 1.46 1.35 2jsaA1 LYS 14 HG3 0.01 -0.04 0.08 -0.04 1.46 1.47 2jsaA1 LYS 14 HD2 -0.00 -0.04 0.02 -0.04 1.69 1.63 2jsaA1 LYS 14 HD3 0.00 -0.01 0.05 -0.04 1.68 1.69 2jsaA1 LYS 14 HE2 -0.02 -0.03 -0.01 -0.04 2.99 2.89 2jsaA1 LYS 14 HE3 -0.01 0.03 -0.00 -0.04 2.99 2.96 2jsaA1 LYS 15 H 0.11 0.08 -1.11 -0.55 8.42 6.95 2jsaA1 LYS 15 HA 0.06 0.22 0.54 -0.75 4.32 4.38 2jsaA1 LYS 15 HB2 0.13 0.09 0.15 -0.04 1.87 2.20 2jsaA1 LYS 15 HB3 0.09 -0.10 0.08 -0.04 1.79 1.82 2jsaA1 LYS 15 HG2 0.07 0.11 -0.02 -0.04 1.46 1.58 2jsaA1 LYS 15 HG3 0.09 -0.18 -0.14 -0.04 1.46 1.19 2jsaA1 LYS 15 HD2 0.04 -0.05 0.06 -0.04 1.69 1.70 2jsaA1 LYS 15 HD3 0.03 0.11 -0.04 -0.04 1.68 1.75 2jsaA1 LYS 15 HE2 -0.00 -0.02 -0.06 -0.04 2.99 2.87 2jsaA1 LYS 15 HE3 0.01 -0.04 -0.06 -0.04 2.99 2.86 2jsaA1 TYR 16 H 0.20 0.38 -0.02 -0.55 8.29 8.29 2jsaA1 TYR 16 HA 0.01 -0.07 0.39 -0.75 4.56 4.13 2jsaA1 TYR 16 HB2 0.00 0.01 0.05 -0.04 3.06 3.07 2jsaA1 TYR 16 HB3 0.01 -0.10 0.31 -0.04 2.98 3.15 2jsaA1 TYR 16 HD2 -0.01 -0.07 -0.10 -0.04 7.15 6.92 2jsaA1 TYR 16 HE2 -0.02 0.10 -0.05 -0.04 6.85 6.85 2jsaA1 GLU 17 H -0.02 0.41 0.11 -0.55 8.60 8.55 2jsaA1 GLU 17 HA -0.29 0.03 0.32 -0.75 4.29 3.60 2jsaA1 GLU 17 HB2 -0.13 -0.00 0.03 -0.04 2.09 1.95 2jsaA1 GLU 17 HB3 -0.20 -0.08 0.05 -0.04 1.99 1.73 2jsaA1 GLU 17 HG2 -0.04 -0.12 -0.16 -0.04 2.34 1.98 2jsaA1 GLU 17 HG3 -0.01 0.18 -0.21 -0.04 2.34 2.25 2jsaA1 GLY 18 H 0.03 0.19 -1.01 -0.55 8.43 7.09 2jsaA1 GLY 18 HA2 0.00 0.10 0.79 -0.51 4.01 4.39 2jsaA1 GLY 18 HA3 0.01 0.03 0.30 -0.51 4.01 3.84 2jsaA1 SER 19 H 0.05 0.14 -0.24 -0.55 8.46 7.86 2jsaA1 SER 19 HA 0.05 0.26 0.97 -0.75 4.49 5.01 2jsaA1 SER 19 HB2 0.09 0.31 0.20 -0.04 3.95 4.52 2jsaA1 SER 19 HB3 0.11 0.07 0.28 -0.04 3.93 4.34 2jsaA1 ALA 20 H 0.05 -0.11 0.18 -0.55 8.40 7.97 2jsaA1 ALA 20 HA 0.02 0.11 0.34 -0.75 4.34 4.06 2jsaA1 ALA 20 HB3 0.02 0.12 0.18 -0.04 1.41 1.69 2jsaA1 ASP 21 H 0.03 -0.00 0.20 -0.55 8.40 8.08 2jsaA1 ASP 21 HA 0.02 0.31 0.90 -0.75 4.63 5.11 2jsaA1 ASP 21 HB2 0.02 -0.01 0.07 -0.04 2.71 2.75 2jsaA1 ASP 21 HB3 0.01 -0.07 -0.04 -0.04 2.70 2.56 2jsaA1 LYS 22 H 0.06 -0.20 0.17 -0.55 8.42 7.89 2jsaA1 LYS 22 HA 0.15 0.12 0.30 -0.75 4.32 4.13 2jsaA1 LYS 22 HB2 0.06 0.20 0.21 -0.04 1.87 2.30 2jsaA1 LYS 22 HB3 0.14 0.04 0.13 -0.04 1.79 2.06 2jsaA1 LYS 22 HG2 0.05 -0.20 -0.77 -0.04 1.46 0.50 2jsaA1 LYS 22 HG3 0.05 0.07 -0.18 -0.04 1.46 1.36 2jsaA1 LYS 22 HD2 0.11 0.06 -0.02 -0.04 1.69 1.80 2jsaA1 LYS 22 HD3 0.05 -0.13 -0.08 -0.04 1.68 1.48 2jsaA1 LYS 22 HE2 0.01 0.03 -0.05 -0.04 2.99 2.94 2jsaA1 LYS 22 HE3 0.02 0.00 -0.07 -0.04 2.99 2.91 2jsaA1 ASP 23 H 0.02 -0.03 -0.13 -0.55 8.40 7.72 2jsaA1 ASP 23 HA -0.03 0.25 0.73 -0.75 4.63 4.83 2jsaA1 ASP 23 HB2 -0.00 0.02 0.13 -0.04 2.71 2.82 2jsaA1 ASP 23 HB3 -0.02 -0.36 0.09 -0.04 2.70 2.37 2jsaA1 ALA 24 H -0.10 0.36 0.18 -0.55 8.40 8.29 2jsaA1 ALA 24 HA -0.25 0.11 0.38 -0.75 4.34 3.82 2jsaA1 ALA 24 HB3 -0.21 0.06 0.07 -0.04 1.41 1.28 2jsaA1 ASN 25 H -0.06 -0.01 -0.58 -0.55 8.53 7.33 2jsaA1 ASN 25 HA -0.05 0.22 0.63 -0.75 4.76 4.81 2jsaA1 ASN 25 HB2 -0.03 -0.02 0.08 -0.04 2.88 2.87 2jsaA1 ASN 25 HB3 -0.02 0.06 -0.04 -0.04 2.79 2.74 2jsaA1 ASN 25 HD21 -0.01 0.00 -0.02 -0.04 7.03 6.95 2jsaA1 ASN 25 HD22 -0.02 0.05 -0.02 -0.04 7.74 7.71 2jsaA1 VAL 26 H -0.02 0.07 -0.03 -0.55 8.24 7.71 2jsaA1 VAL 26 HA 0.00 0.13 0.49 -0.75 4.13 4.01 2jsaA1 VAL 26 HB 0.01 0.02 0.05 -0.04 2.12 2.15 2jsaA1 VAL 26 HG13 0.01 0.02 0.08 -0.04 0.97 1.04 2jsaA1 VAL 26 HG23 -0.00 -0.01 0.04 -0.04 0.95 0.94 2jsaA1 ILE 27 H -0.03 0.05 -0.78 -0.55 8.25 6.94 2jsaA1 ILE 27 HA 0.04 0.20 0.60 -0.75 4.18 4.26 2jsaA1 ILE 27 HB -0.09 -0.08 0.11 -0.04 1.89 1.78 2jsaA1 ILE 27 HG12 0.09 0.28 -0.25 -0.04 1.49 1.56 2jsaA1 ILE 27 HG13 0.02 -0.09 -0.09 -0.04 1.21 1.01 2jsaA1 ILE 27 HG23 -0.01 -0.00 -0.24 -0.04 0.93 0.64 2jsaA1 ILE 27 HD13 0.01 -0.08 -0.39 -0.04 0.88 0.37 2jsaA1 LYS 28 H -0.04 0.34 -0.15 -0.55 8.42 8.02 2jsaA1 LYS 28 HA -0.00 0.01 0.44 -0.75 4.32 4.02 2jsaA1 LYS 28 HB2 -0.12 -0.01 0.28 -0.04 1.87 1.98 2jsaA1 LYS 28 HB3 -0.09 0.14 0.25 -0.04 1.79 2.05 2jsaA1 LYS 28 HG2 -0.02 0.06 -0.08 -0.04 1.46 1.38 2jsaA1 LYS 28 HG3 -0.04 -0.06 -0.10 -0.04 1.46 1.22 2jsaA1 LYS 28 HD2 -0.06 0.21 0.33 -0.04 1.69 2.13 2jsaA1 LYS 28 HD3 -0.04 -0.07 0.08 -0.04 1.68 1.61 2jsaA1 LYS 28 HE2 -0.08 0.10 0.06 -0.04 2.99 3.03 2jsaA1 LYS 28 HE3 -0.10 -0.05 0.15 -0.04 2.99 2.95 2jsaA1 LYS 29 H 0.02 0.17 -0.65 -0.55 8.42 7.41 2jsaA1 LYS 29 HA 0.06 0.07 0.44 -0.75 4.32 4.15 2jsaA1 LYS 29 HB2 0.02 -0.01 0.06 -0.04 1.87 1.90 2jsaA1 LYS 29 HB3 0.03 0.01 -0.06 -0.04 1.79 1.73 2jsaA1 LYS 29 HG2 0.02 -0.02 -0.02 -0.04 1.46 1.40 2jsaA1 LYS 29 HG3 0.01 0.03 -0.01 -0.04 1.46 1.46 2jsaA1 LYS 29 HD2 0.00 -0.03 -0.08 -0.04 1.69 1.54 2jsaA1 LYS 29 HD3 0.00 0.02 -0.28 -0.04 1.68 1.38 2jsaA1 LYS 29 HE2 0.00 -0.03 -0.06 -0.04 2.99 2.86 2jsaA1 LYS 29 HE3 0.01 0.02 -0.02 -0.04 2.99 2.95 2jsaA1 ASP 30 H 0.06 0.31 -0.29 -0.55 8.40 7.93 2jsaA1 ASP 30 HA 0.04 0.01 0.35 -0.75 4.63 4.27 2jsaA1 ASP 30 HB2 0.06 0.18 0.25 -0.04 2.71 3.16 2jsaA1 ASP 30 HB3 0.05 -0.00 -0.02 -0.04 2.70 2.69 2jsaA1 PHE 31 H 0.21 0.36 -0.51 -0.55 8.34 7.84 2jsaA1 PHE 31 HA 0.01 0.05 0.27 -0.75 4.62 4.20 2jsaA1 PHE 31 HB2 0.05 0.03 -0.08 -0.04 3.15 3.11 2jsaA1 PHE 31 HB3 0.04 0.29 0.10 -0.04 3.06 3.45 2jsaA1 PHE 31 HD2 0.09 -0.02 -0.24 -0.04 7.28 7.07 2jsaA1 PHE 31 HE2 0.06 -0.06 0.01 -0.04 7.38 7.34 2jsaA1 PHE 31 HZ -0.21 0.01 -0.06 -0.04 7.32 7.02 2jsaA1 ASP 32 H 0.40 0.44 -0.10 -0.55 8.40 8.60 2jsaA1 ASP 32 HA 0.19 -0.05 0.22 -0.75 4.63 4.24 2jsaA1 ASP 32 HB2 0.18 0.12 0.14 -0.04 2.71 3.11 2jsaA1 ASP 32 HB3 0.10 0.03 -0.10 -0.04 2.70 2.69 2jsaA1 ALA 33 H 0.05 0.30 -1.01 -0.55 8.40 7.20 2jsaA1 ALA 33 HA 0.00 0.00 0.36 -0.75 4.34 3.95 2jsaA1 ALA 33 HB3 0.00 0.11 0.17 -0.04 1.41 1.64 2jsaA1 GLU 34 H -0.08 0.48 0.13 -0.55 8.60 8.58 2jsaA1 GLU 34 HA -0.06 -0.00 0.59 -0.75 4.29 4.06 2jsaA1 GLU 34 HB2 -0.13 -0.06 0.05 -0.04 2.09 1.92 2jsaA1 GLU 34 HB3 -0.08 0.05 0.12 -0.04 1.99 2.04 2jsaA1 GLU 34 HG2 -0.21 0.11 0.24 -0.04 2.34 2.44 2jsaA1 GLU 34 HG3 -0.26 -0.04 -0.05 -0.04 2.34 1.95 2jsaA1 CYS 35 H -0.28 0.76 -0.03 -0.55 8.50 8.40 2jsaA1 CYS 35 HA -0.41 -0.04 0.19 -0.75 4.58 3.57 2jsaA1 CYS 35 HB2 -1.01 0.17 -0.12 -0.04 2.97 1.97 2jsaA1 CYS 35 HB3 -0.19 -0.01 -0.15 -0.04 2.97 2.58 2jsaA1 LYS 36 H -0.06 0.21 -1.25 -0.55 8.42 6.77 2jsaA1 LYS 36 HA 0.06 0.04 0.54 -0.75 4.32 4.21 2jsaA1 LYS 36 HB2 -0.00 0.39 0.22 -0.04 1.87 2.43 2jsaA1 LYS 36 HB3 -0.00 -0.08 0.01 -0.04 1.79 1.67 2jsaA1 LYS 36 HG2 0.04 -0.11 -0.00 -0.04 1.46 1.35 2jsaA1 LYS 36 HG3 0.03 0.17 0.06 -0.04 1.46 1.68 2jsaA1 LYS 36 HD2 0.02 -0.05 0.00 -0.04 1.69 1.62 2jsaA1 LYS 36 HD3 0.00 0.01 0.01 -0.04 1.68 1.65 2jsaA1 LYS 36 HE2 -0.03 0.00 -0.01 -0.04 2.99 2.91 2jsaA1 LYS 36 HE3 0.03 -0.01 0.03 -0.04 2.99 3.00 2jsaA1 LYS 37 H -0.01 0.34 0.14 -0.55 8.42 8.34 2jsaA1 LYS 37 HA 0.07 0.05 0.48 -0.75 4.32 4.16 2jsaA1 LYS 37 HB2 -0.01 -0.08 0.22 -0.04 1.87 1.96 2jsaA1 LYS 37 HB3 0.01 -0.01 0.06 -0.04 1.79 1.82 2jsaA1 LYS 37 HG2 -0.04 -0.02 0.05 -0.04 1.46 1.40 2jsaA1 LYS 37 HG3 -0.02 0.21 0.18 -0.04 1.46 1.78 2jsaA1 LYS 37 HD2 -0.02 0.01 0.02 -0.04 1.69 1.66 2jsaA1 LYS 37 HD3 -0.01 -0.03 0.02 -0.04 1.68 1.62 2jsaA1 LYS 37 HE2 -0.02 -0.01 0.01 -0.04 2.99 2.94 2jsaA1 LYS 37 HE3 -0.04 0.00 0.01 -0.04 2.99 2.92 2jsaA1 LEU 38 H -0.02 0.20 0.17 -0.55 8.37 8.17 2jsaA1 LEU 38 HA 0.05 -0.01 0.33 -0.75 4.35 3.97 2jsaA1 LEU 38 HB2 -0.09 -0.03 0.02 -0.04 1.64 1.50 2jsaA1 LEU 38 HB3 -0.14 -0.02 -0.05 -0.04 1.64 1.40 2jsaA1 LEU 38 HG -0.43 0.08 -0.40 -0.04 1.64 0.85 2jsaA1 LEU 38 HD13 -0.44 -0.01 -0.19 -0.04 0.93 0.25 2jsaA1 LEU 38 HD23 -0.53 -0.04 -0.32 -0.04 0.89 -0.05 2jsaA1 PHE 39 H 0.12 0.28 -0.89 -0.55 8.34 7.30 2jsaA1 PHE 39 HA -0.01 0.11 0.75 -0.75 4.62 4.72 2jsaA1 PHE 39 HB2 -0.05 0.31 0.03 -0.04 3.15 3.40 2jsaA1 PHE 39 HB3 -0.01 -0.19 0.16 -0.04 3.06 2.98 2jsaA1 PHE 39 HD2 -0.03 0.15 -0.33 -0.04 7.28 7.03 2jsaA1 PHE 39 HE2 -0.03 -0.02 -0.07 -0.04 7.38 7.22 2jsaA1 PHE 39 HZ -0.03 -0.04 -0.04 -0.04 7.32 7.17 2jsaA1 HIS 40 H 0.20 0.59 -0.21 -0.55 8.41 8.44 2jsaA1 HIS 40 HA 0.04 0.08 0.72 -0.75 4.63 4.72 2jsaA1 HIS 40 HB2 0.02 0.01 0.14 -0.04 3.26 3.40 2jsaA1 HIS 40 HB3 0.03 0.08 0.24 -0.04 3.20 3.51 2jsaA1 HIS 40 HD2 0.01 -0.00 -0.02 -0.04 6.97 6.92 2jsaA1 HIS 40 HE1 0.01 -0.03 0.03 -0.04 7.75 7.71 2jsaA1 THR 41 H -0.02 0.14 -0.20 -0.55 8.28 7.64 2jsaA1 THR 41 HA -0.23 0.21 0.82 -0.75 4.39 4.43 2jsaA1 THR 41 HB -0.14 -0.01 0.15 -0.04 4.32 4.29 2jsaA1 THR 41 HG23 -0.24 0.01 -0.08 -0.04 1.22 0.87 2jsaA1 ILE 42 H -0.05 0.32 -0.50 -0.55 8.25 7.47 2jsaA1 ILE 42 HA -0.14 0.28 0.94 -0.75 4.18 4.50 2jsaA1 ILE 42 HB -0.07 0.10 0.08 -0.04 1.89 1.95 2jsaA1 ILE 42 HG12 -0.27 -0.12 -0.41 -0.04 1.49 0.65 2jsaA1 ILE 42 HG13 -1.24 -0.00 -0.03 -0.04 1.21 -0.10 2jsaA1 ILE 42 HG23 -0.18 -0.04 -0.10 -0.04 0.93 0.57 2jsaA1 ILE 42 HD13 -0.49 0.04 0.01 -0.04 0.88 0.40 2jsaA1 PRO 43 HA 0.05 0.10 0.55 -0.51 4.44 4.62 2jsaA1 PRO 43 HB2 0.03 0.04 0.10 -0.04 2.28 2.41 2jsaA1 PRO 43 HB3 0.00 0.07 0.10 -0.04 2.02 2.15 2jsaA1 PRO 43 HG2 -0.02 0.03 0.15 -0.04 2.03 2.14 2jsaA1 PRO 43 HG3 -0.04 0.08 0.10 -0.04 2.03 2.14 2jsaA1 PRO 43 HD2 -0.10 0.08 0.20 -0.04 3.68 3.81 2jsaA1 PRO 43 HD3 -0.08 0.25 0.24 -0.04 3.65 4.01 2jsaA1 PHE 44 H 0.12 0.29 0.28 -0.55 8.34 8.48 2jsaA1 PHE 44 HA 0.02 0.02 0.35 -0.75 4.62 4.26 2jsaA1 PHE 44 HB2 0.00 -0.01 -0.53 -0.04 3.15 2.57 2jsaA1 PHE 44 HB3 0.02 0.14 0.23 -0.04 3.06 3.41 2jsaA1 PHE 44 HD2 0.03 -0.00 0.01 -0.04 7.28 7.28 2jsaA1 PHE 44 HE2 0.02 0.03 -0.02 -0.04 7.38 7.37 2jsaA1 PHE 44 HZ -0.02 0.03 -0.02 -0.04 7.32 7.27 2jsaA1 GLY 45 H 0.08 0.14 -1.05 -0.55 8.43 7.06 2jsaA1 GLY 45 HA2 0.14 0.06 0.26 -0.51 4.01 3.96 2jsaA1 GLY 45 HA3 0.10 0.14 0.21 -0.51 4.01 3.95 2jsaA1 THR 46 H 0.07 0.26 0.03 -0.55 8.28 8.09 2jsaA1 THR 46 HA 0.08 0.12 0.33 -0.75 4.39 4.17 2jsaA1 THR 46 HB 0.05 -0.02 0.06 -0.04 4.32 4.37 2jsaA1 THR 46 HG23 0.12 0.06 0.21 -0.04 1.22 1.56 2jsaA1 ARG 47 H -0.09 -0.03 -0.70 -0.55 8.46 7.08 2jsaA1 ARG 47 HA -0.17 0.07 0.38 -0.75 4.34 3.87 2jsaA1 ARG 47 HB2 -0.47 -0.02 0.06 -0.04 1.90 1.44 2jsaA1 ARG 47 HB3 -0.81 0.04 0.15 -0.04 1.80 1.13 2jsaA1 ARG 47 HG2 -1.55 -0.01 -0.02 -0.04 1.67 0.03 2jsaA1 ARG 47 HG3 -1.20 0.06 -0.27 -0.04 1.67 0.22 2jsaA1 ARG 47 HD2 -0.29 -0.02 -0.21 -0.04 3.22 2.66 2jsaA1 ARG 47 HD3 -0.27 -0.02 0.06 -0.04 3.22 2.95 2jsaA1 GLU 48 H -0.10 0.88 0.05 -0.55 8.60 8.88 2jsaA1 GLU 48 HA 0.17 0.04 0.36 -0.75 4.29 4.12 2jsaA1 GLU 48 HB2 0.27 0.13 0.11 -0.04 2.09 2.55 2jsaA1 GLU 48 HB3 0.18 -0.00 -0.07 -0.04 1.99 2.05 2jsaA1 GLU 48 HG2 0.36 0.00 0.00 -0.04 2.34 2.66 2jsaA1 GLU 48 HG3 0.23 -0.03 -0.04 -0.04 2.34 2.46 2jsaA1 CYS 49 H 0.12 0.54 -0.44 -0.55 8.50 8.17 2jsaA1 CYS 49 HA 0.49 -0.03 0.29 -0.75 4.58 4.58 2jsaA1 CYS 49 HB2 0.15 0.26 0.14 -0.04 2.97 3.47 2jsaA1 CYS 49 HB3 0.32 -0.10 -0.08 -0.04 2.97 3.06 2jsaA1 ASP 50 H 0.13 0.54 -0.06 -0.55 8.40 8.47 2jsaA1 ASP 50 HA 0.12 -0.03 0.39 -0.75 4.63 4.35 2jsaA1 ASP 50 HB2 0.06 0.15 0.16 -0.04 2.71 3.03 2jsaA1 ASP 50 HB3 0.06 0.05 -0.07 -0.04 2.70 2.69 2jsaA1 HIS 51 H 0.19 0.21 -0.95 -0.55 8.41 7.31 2jsaA1 HIS 51 HA 0.03 0.10 0.53 -0.75 4.63 4.53 2jsaA1 HIS 51 HB2 0.01 0.11 0.06 -0.04 3.26 3.41 2jsaA1 HIS 51 HB3 0.09 0.01 0.09 -0.04 3.20 3.35 2jsaA1 HIS 51 HD2 0.13 -0.03 0.01 -0.04 6.97 7.03 2jsaA1 HIS 51 HE1 0.03 -0.02 0.03 -0.04 7.75 7.75 2jsaA1 TYR 52 H 0.14 0.54 -0.50 -0.55 8.29 7.92 2jsaA1 TYR 52 HA -0.13 0.10 0.80 -0.75 4.56 4.57 2jsaA1 TYR 52 HB2 0.04 0.18 -0.02 -0.04 3.06 3.22 2jsaA1 TYR 52 HB3 -0.39 0.06 0.17 -0.04 2.98 2.77 2jsaA1 TYR 52 HD2 -0.79 0.05 -0.12 -0.04 7.15 6.26 2jsaA1 TYR 52 HE2 0.02 0.04 -0.35 -0.04 6.85 6.52 2jsaA1 VAL 53 H -0.13 0.56 0.16 -0.55 8.24 8.28 2jsaA1 VAL 53 HA -0.41 -0.02 0.42 -0.75 4.13 3.36 2jsaA1 VAL 53 HB -0.09 -0.03 0.18 -0.04 2.12 2.13 2jsaA1 VAL 53 HG13 -0.11 0.03 0.04 -0.04 0.97 0.89 2jsaA1 VAL 53 HG23 -0.00 0.04 -0.09 -0.04 0.95 0.86 2jsaA1 ASN 54 H -0.12 0.17 -0.98 -0.55 8.53 7.05 2jsaA1 ASN 54 HA -0.12 0.06 0.79 -0.75 4.76 4.75 2jsaA1 ASN 54 HB2 -0.02 0.17 0.06 -0.04 2.88 3.04 2jsaA1 ASN 54 HB3 -0.04 0.01 0.17 -0.04 2.79 2.89 2jsaA1 ASN 54 HD21 -0.04 -0.01 0.02 -0.04 7.03 6.96 2jsaA1 ASN 54 HD22 -0.04 -0.02 0.01 -0.04 7.74 7.65 2jsaA1 SER 55 H -0.21 -0.18 -0.01 -0.55 8.46 7.51 2jsaA1 SER 55 HA -0.14 0.05 0.39 -0.75 4.49 4.05 2jsaA1 SER 55 HB2 -0.24 0.18 -0.29 -0.04 3.95 3.55 2jsaA1 SER 55 HB3 -0.20 -0.04 0.06 -0.04 3.93 3.70 2jsaA1 LYS 56 H -0.40 0.54 0.25 -0.55 8.42 8.26 2jsaA1 LYS 56 HA -0.21 0.21 0.91 -0.75 4.32 4.47 2jsaA1 LYS 56 HB2 -1.21 0.06 0.09 -0.04 1.87 0.77 2jsaA1 LYS 56 HB3 -0.42 -0.07 0.18 -0.04 1.79 1.44 2jsaA1 LYS 56 HG2 -0.15 0.01 -0.47 -0.04 1.46 0.81 2jsaA1 LYS 56 HG3 0.03 0.02 -0.03 -0.04 1.46 1.45 2jsaA1 LYS 56 HD2 0.00 -0.04 0.04 -0.04 1.69 1.65 2jsaA1 LYS 56 HD3 -0.08 -0.03 0.15 -0.04 1.68 1.68 2jsaA1 LYS 56 HE2 -0.02 0.01 0.04 -0.04 2.99 2.98 2jsaA1 LYS 56 HE3 -0.03 0.02 -0.03 -0.04 2.99 2.90 2jsaA1 VAL 57 H -0.29 -0.13 0.09 -0.55 8.24 7.37 2jsaA1 VAL 57 HA -0.24 0.13 0.84 -0.75 4.13 4.10 2jsaA1 VAL 57 HB -0.25 0.08 0.04 -0.04 2.12 1.95 2jsaA1 VAL 57 HG13 -0.15 0.01 -0.06 -0.04 0.97 0.73 2jsaA1 VAL 57 HG23 -0.32 -0.00 0.03 -0.04 0.95 0.61 2jsaA1 ASP 58 H -0.14 -0.01 0.03 -0.55 8.40 7.73 2jsaA1 ASP 58 HA -0.07 0.09 0.32 -0.75 4.63 4.21 2jsaA1 ASP 58 HB2 -0.08 -0.05 0.06 -0.04 2.71 2.60 2jsaA1 ASP 58 HB3 -0.04 0.07 -0.13 -0.04 2.70 2.55 2jsaA1 PRO 59 HA 0.26 0.16 0.45 -0.51 4.44 4.80 2jsaA1 PRO 59 HB2 0.12 0.06 -0.05 -0.04 2.28 2.37 2jsaA1 PRO 59 HB3 0.07 0.09 0.02 -0.04 2.02 2.17 2jsaA1 PRO 59 HG2 -0.08 0.04 -0.01 -0.04 2.03 1.94 2jsaA1 PRO 59 HG3 -0.05 0.26 0.03 -0.04 2.03 2.23 2jsaA1 PRO 59 HD2 -0.13 -0.19 -0.86 -0.04 3.68 2.46 2jsaA1 PRO 59 HD3 -0.08 0.15 -0.11 -0.04 3.65 3.57 2jsaA1 ILE 60 H -0.06 0.27 -0.30 -0.55 8.25 7.61 2jsaA1 ILE 60 HA -0.08 -0.02 0.38 -0.75 4.18 3.71 2jsaA1 ILE 60 HB -0.11 0.14 0.36 -0.04 1.89 2.23 2jsaA1 ILE 60 HG12 -0.02 -0.15 0.08 -0.04 1.49 1.36 2jsaA1 ILE 60 HG13 -0.10 0.09 0.20 -0.04 1.21 1.36 2jsaA1 ILE 60 HG23 0.03 -0.02 -0.06 -0.04 0.93 0.83 2jsaA1 ILE 60 HD13 -0.03 -0.00 0.11 -0.04 0.88 0.92 2jsaA1 ILE 61 H -0.04 0.76 -0.17 -0.55 8.25 8.24 2jsaA1 ILE 61 HA 0.30 -0.03 0.35 -0.75 4.18 4.04 2jsaA1 ILE 61 HB -0.14 0.14 -0.00 -0.04 1.89 1.85 2jsaA1 ILE 61 HG12 -0.08 -0.09 -0.05 -0.04 1.49 1.23 2jsaA1 ILE 61 HG13 -0.13 0.22 0.12 -0.04 1.21 1.38 2jsaA1 ILE 61 HG23 -0.96 -0.02 -0.04 -0.04 0.93 -0.13 2jsaA1 ILE 61 HD13 -0.34 -0.03 -0.02 -0.04 0.88 0.45 2jsaA1 HIS 62 H 0.06 0.13 -0.98 -0.55 8.41 7.07 2jsaA1 HIS 62 HA 0.02 0.03 0.45 -0.75 4.63 4.38 2jsaA1 HIS 62 HB2 -0.01 -0.07 0.12 -0.04 3.26 3.26 2jsaA1 HIS 62 HB3 -0.02 0.09 0.43 -0.04 3.20 3.65 2jsaA1 HIS 62 HD2 -0.02 -0.31 0.07 -0.04 6.97 6.66 2jsaA1 HIS 62 HE1 0.00 -0.02 -0.09 -0.04 7.75 7.60 2jsaA1 GLU 63 H -0.59 0.51 -0.04 -0.55 8.60 7.94 2jsaA1 GLU 63 HA -0.28 0.07 0.44 -0.75 4.29 3.77 2jsaA1 GLU 63 HB2 -0.36 0.14 0.22 -0.04 2.09 2.06 2jsaA1 GLU 63 HB3 -0.15 -0.04 0.00 -0.04 1.99 1.76 2jsaA1 GLU 63 HG2 -0.12 -0.06 -0.03 -0.04 2.34 2.09 2jsaA1 GLU 63 HG3 -0.13 0.01 0.02 -0.04 2.34 2.19 2jsaA1 LEU 64 H -0.04 0.40 -0.01 -0.55 8.37 8.17 2jsaA1 LEU 64 HA -0.08 0.07 0.49 -0.75 4.35 4.07 2jsaA1 LEU 64 HB2 -0.12 0.05 -0.00 -0.04 1.64 1.53 2jsaA1 LEU 64 HB3 -0.34 0.02 0.10 -0.04 1.64 1.38 2jsaA1 LEU 64 HG -0.05 -0.08 -0.00 -0.04 1.64 1.47 2jsaA1 LEU 64 HD13 0.11 -0.01 -0.08 -0.04 0.93 0.91 2jsaA1 LEU 64 HD23 -0.12 0.08 -0.09 -0.04 0.89 0.73 2jsaA1 GLU 65 H 0.09 0.07 -1.19 -0.55 8.60 7.02 2jsaA1 GLU 65 HA 0.15 0.02 0.49 -0.75 4.29 4.19 2jsaA1 GLU 65 HB2 0.13 0.08 0.33 -0.04 2.09 2.59 2jsaA1 GLU 65 HB3 0.10 -0.07 0.01 -0.04 1.99 1.99 2jsaA1 GLU 65 HG2 0.13 -0.05 0.07 -0.04 2.34 2.45 2jsaA1 GLU 65 HG3 0.18 0.05 0.01 -0.04 2.34 2.54 2jsaA1 GLY 66 H 0.04 0.42 -0.05 -0.55 8.43 8.30 2jsaA1 GLY 66 HA2 0.04 0.08 0.66 -0.51 4.01 4.29 2jsaA1 GLY 66 HA3 0.05 -0.04 0.33 -0.51 4.01 3.84 2jsaA1 GLY 67 H -0.01 0.28 0.07 -0.55 8.43 8.23 2jsaA1 GLY 67 HA2 -0.03 0.08 0.19 -0.51 4.01 3.75 2jsaA1 GLY 67 HA3 -0.01 0.15 0.81 -0.51 4.01 4.45 2jsaA1 THR 68 H -0.04 0.16 0.08 -0.55 8.28 7.92 2jsaA1 THR 68 HA -0.03 0.18 0.86 -0.75 4.39 4.65 2jsaA1 THR 68 HB -0.07 -0.11 -0.33 -0.04 4.32 3.76 2jsaA1 THR 68 HG23 -0.05 0.03 -0.14 -0.04 1.22 1.02 2jsaA1 ALA 69 H -0.03 0.12 0.13 -0.55 8.40 8.07 2jsaA1 ALA 69 HA -0.05 0.28 0.58 -0.75 4.34 4.40 2jsaA1 ALA 69 HB3 -0.02 0.04 0.09 -0.04 1.41 1.47 2jsaA1 PRO 70 HA -0.01 0.11 0.50 -0.51 4.44 4.52 2jsaA1 PRO 70 HB2 0.00 0.07 0.05 -0.04 2.28 2.36 2jsaA1 PRO 70 HB3 -0.01 0.01 0.08 -0.04 2.02 2.06 2jsaA1 PRO 70 HG2 -0.02 0.08 0.02 -0.04 2.03 2.07 2jsaA1 PRO 70 HG3 -0.04 0.11 0.03 -0.04 2.03 2.10 2jsaA1 PRO 70 HD2 -0.03 0.11 0.19 -0.04 3.68 3.91 2jsaA1 PRO 70 HD3 -0.05 0.25 0.22 -0.04 3.65 4.03 2jsaA1 LYS 71 H -0.01 0.08 -0.47 -0.55 8.42 7.46 2jsaA1 LYS 71 HA 0.01 0.25 0.81 -0.75 4.32 4.63 2jsaA1 LYS 71 HB2 -0.00 -0.02 0.00 -0.04 1.87 1.81 2jsaA1 LYS 71 HB3 0.00 0.06 0.06 -0.04 1.79 1.87 2jsaA1 LYS 71 HG2 0.00 0.04 0.01 -0.04 1.46 1.47 2jsaA1 LYS 71 HG3 0.01 0.04 -0.18 -0.04 1.46 1.28 2jsaA1 LYS 71 HD2 -0.00 0.02 -0.03 -0.04 1.69 1.63 2jsaA1 LYS 71 HD3 0.00 0.04 -0.04 -0.04 1.68 1.64 2jsaA1 LYS 71 HE2 -0.00 -0.10 -0.20 -0.04 2.99 2.64 2jsaA1 LYS 71 HE3 -0.01 0.00 -0.04 -0.04 2.99 2.90 2jsaA1 ASP 72 H -0.01 0.16 -0.38 -0.55 8.40 7.63 2jsaA1 ASP 72 HA -0.00 0.26 0.74 -0.75 4.63 4.88 2jsaA1 ASP 72 HB2 -0.02 -0.11 0.11 -0.04 2.71 2.65 2jsaA1 ASP 72 HB3 -0.01 0.04 -0.06 -0.04 2.70 2.63 2jsaA1 VAL 73 H -0.01 0.16 -0.08 -0.55 8.24 7.75 2jsaA1 VAL 73 HA -0.03 0.10 0.51 -0.75 4.13 3.96 2jsaA1 VAL 73 HB -0.00 0.01 0.08 -0.04 2.12 2.17 2jsaA1 VAL 73 HG13 -0.07 0.01 0.06 -0.04 0.97 0.92 2jsaA1 VAL 73 HG23 -0.04 0.07 0.07 -0.04 0.95 1.01 2jsaA1 CYS 74 H 0.02 0.22 -0.23 -0.55 8.50 7.96 2jsaA1 CYS 74 HA 0.04 -0.04 0.42 -0.75 4.58 4.24 2jsaA1 CYS 74 HB2 0.04 0.12 0.09 -0.04 2.97 3.18 2jsaA1 CYS 74 HB3 0.03 0.06 0.19 -0.04 2.97 3.21 2jsaA1 THR 75 H 0.02 0.54 0.10 -0.55 8.28 8.40 2jsaA1 THR 75 HA 0.02 0.05 0.38 -0.75 4.39 4.08 2jsaA1 THR 75 HB 0.01 -0.00 -0.78 -0.04 4.32 3.51 2jsaA1 THR 75 HG23 0.01 -0.01 -0.09 -0.04 1.22 1.09 2jsaA1 LYS 76 H 0.01 0.49 0.14 -0.55 8.42 8.51 2jsaA1 LYS 76 HA 0.02 0.15 0.61 -0.75 4.32 4.35 2jsaA1 LYS 76 HB2 0.01 0.08 0.18 -0.04 1.87 2.10 2jsaA1 LYS 76 HB3 0.02 0.02 0.11 -0.04 1.79 1.90 2jsaA1 LYS 76 HG2 0.01 0.01 0.06 -0.04 1.46 1.50 2jsaA1 LYS 76 HG3 0.01 -0.06 0.01 -0.04 1.46 1.37 2jsaA1 LYS 76 HD2 0.00 0.09 0.10 -0.04 1.69 1.85 2jsaA1 LYS 76 HD3 0.01 -0.02 0.03 -0.04 1.68 1.66 2jsaA1 LYS 76 HE2 0.01 0.00 0.01 -0.04 2.99 2.97 2jsaA1 LYS 76 HE3 0.00 -0.01 0.02 -0.04 2.99 2.96 2jsaA1 LEU 77 H 0.02 0.27 0.06 -0.55 8.37 8.18 2jsaA1 LEU 77 HA 0.05 0.21 0.56 -0.75 4.35 4.42 2jsaA1 LEU 77 HB2 0.02 0.16 0.16 -0.04 1.64 1.93 2jsaA1 LEU 77 HB3 0.03 0.01 0.13 -0.04 1.64 1.77 2jsaA1 LEU 77 HG -0.03 -0.06 -0.02 -0.04 1.64 1.49 2jsaA1 LEU 77 HD13 0.19 0.03 -0.03 -0.04 0.93 1.08 2jsaA1 LEU 77 HD23 -0.02 -0.02 0.04 -0.04 0.89 0.84 2jsaA1 ASN 78 H 0.03 0.21 -1.04 -0.55 8.53 7.19 2jsaA1 ASN 78 HA 0.03 0.08 0.21 -0.75 4.76 4.32 2jsaA1 ASN 78 HB2 0.03 0.10 -0.17 -0.04 2.88 2.80 2jsaA1 ASN 78 HB3 0.02 -0.01 0.15 -0.04 2.79 2.91 2jsaA1 ASN 78 HD21 0.02 -0.01 -0.07 -0.04 7.03 6.93 2jsaA1 ASN 78 HD22 0.02 -0.00 -0.01 -0.04 7.74 7.70 2jsaA1 GLU 79 H 0.04 -0.18 -0.76 -0.55 8.60 7.15 2jsaA1 GLU 79 HA 0.06 0.26 0.71 -0.75 4.29 4.57 2jsaA1 GLU 79 HB2 0.11 -0.00 -0.06 -0.04 2.09 2.10 2jsaA1 GLU 79 HB3 0.05 0.15 -0.02 -0.04 1.99 2.14 2jsaA1 GLU 79 HG2 0.04 -0.04 -0.08 -0.04 2.34 2.21 2jsaA1 GLU 79 HG3 0.06 -0.12 -0.05 -0.04 2.34 2.19 2jsaA1 CYS 80 H 0.05 -0.08 -0.13 -0.55 8.50 7.80 2jsaA1 CYS 80 HA 0.06 -0.02 0.28 -0.75 4.58 4.15 2jsaA1 CYS 80 HB2 0.04 -0.14 -0.27 -0.04 2.97 2.56 2jsaA1 CYS 80 HB3 0.03 0.09 -0.13 -0.04 2.97 2.92 2jsaA1 PRO 81 HA 0.03 0.02 0.29 -0.51 4.44 4.27 2jsaA1 PRO 81 HB2 0.02 0.09 -0.02 -0.04 2.28 2.33 2jsaA1 PRO 81 HB3 0.02 0.03 -0.03 -0.04 2.02 2.00 2jsaA1 PRO 81 HG2 0.03 0.17 -0.14 -0.04 2.03 2.05 2jsaA1 PRO 81 HG3 0.02 0.08 -0.05 -0.04 2.03 2.04 2jsaA1 PRO 81 HD2 0.04 -0.07 -0.91 -0.04 3.68 2.70 2jsaA1 PRO 81 HD3 0.03 0.07 -0.11 -0.04 3.65 3.60