============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 6 1.000 11.178 -14.067 6.277 -99.200 -91.000 TRP 10 1.040 12.283 -22.416 14.240 -99.200 -91.000 TRP6 10 1.020 12.579 -23.593 12.221 -99.200 -91.000 TYR 30 0.840 0.741 -37.180 8.139 -99.200 -91.000 TRP 35 1.040 7.568 -34.588 10.119 -99.200 -91.000 TRP6 35 1.020 5.486 -33.997 9.167 -99.200 -91.000 HIS 40 0.900 7.527 -30.653 4.969 -99.200 -91.000 PHE 41 1.000 13.561 -34.482 9.561 -99.200 -91.000 TRP 57 1.040 14.461 -27.829 18.102 -99.200 -91.000 TRP6 57 1.020 13.139 -26.892 19.815 -99.200 -91.000 TYR 58 0.840 9.341 -33.172 14.687 -99.200 -91.000 TYR 60 0.840 1.920 -24.414 13.392 -99.200 -91.000 PHE 66 1.000 0.632 -33.536 4.557 -99.200 -91.000 HIS 73 0.900 -6.403 -30.577 -1.980 -99.200 -91.000 HIS 74 0.900 -12.383 -33.631 -4.277 -99.200 -91.000 HIS 75 0.900 -9.155 -37.830 -2.023 -99.200 -91.000 HIS 76 0.900 -15.075 -38.871 4.373 -99.200 -91.000 HIS 77 0.900 -8.751 -41.817 9.129 -99.200 -91.000 HIS 78 0.900 -15.326 -44.984 8.151 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2kvvA12 MET 1 HA -0.00 0.01 0.18 -0.75 4.52 3.95 2kvvA12 MET 1 HB2 0.00 -0.11 0.07 -0.04 2.15 2.07 2kvvA12 MET 1 HB3 -0.00 0.03 -0.05 -0.04 2.03 1.96 2kvvA12 MET 1 HG2 -0.00 0.02 0.03 -0.04 2.63 2.64 2kvvA12 MET 1 HG3 -0.00 -0.01 0.03 -0.04 2.56 2.54 2kvvA12 MET 1 HE3 0.00 0.00 -0.02 -0.04 2.10 2.05 2kvvA12 ALA 2 H -0.00 0.09 0.06 -0.55 8.40 8.00 2kvvA12 ALA 2 HA -0.00 0.15 0.49 -0.75 4.34 4.22 2kvvA12 ALA 2 HB3 0.01 -0.03 0.09 -0.04 1.41 1.43 2kvvA12 GLN 3 H -0.01 0.05 0.06 -0.55 8.47 8.03 2kvvA12 GLN 3 HA -0.02 -0.00 0.26 -0.75 4.36 3.84 2kvvA12 GLN 3 HB2 -0.03 0.27 0.09 -0.04 2.15 2.44 2kvvA12 GLN 3 HB3 -0.04 -0.05 0.15 -0.04 2.02 2.04 2kvvA12 GLN 3 HG2 -0.02 -0.04 -0.04 -0.04 2.40 2.27 2kvvA12 GLN 3 HG3 -0.01 0.03 -0.37 -0.04 2.39 1.99 2kvvA12 GLN 3 HE21 -0.01 -0.02 -0.05 -0.04 6.97 6.84 2kvvA12 GLN 3 HE22 -0.01 0.06 -0.11 -0.04 7.69 7.59 2kvvA12 ILE 4 H -0.01 0.04 -0.10 -0.55 8.25 7.63 2kvvA12 ILE 4 HA -0.10 0.18 0.63 -0.75 4.18 4.14 2kvvA12 ILE 4 HB 0.07 -0.04 0.16 -0.04 1.89 2.04 2kvvA12 ILE 4 HG12 0.01 -0.13 -0.11 -0.04 1.49 1.23 2kvvA12 ILE 4 HG13 0.05 0.01 -0.02 -0.04 1.21 1.21 2kvvA12 ILE 4 HG23 0.16 0.01 -0.09 -0.04 0.93 0.97 2kvvA12 ILE 4 HD13 0.01 0.05 -0.14 -0.04 0.88 0.76 2kvvA12 ILE 5 H -0.22 0.35 0.06 -0.55 8.25 7.90 2kvvA12 ILE 5 HA -0.11 0.01 0.20 -0.75 4.18 3.52 2kvvA12 ILE 5 HB -0.22 0.01 0.17 -0.04 1.89 1.80 2kvvA12 ILE 5 HG12 -0.11 0.23 0.01 -0.04 1.49 1.59 2kvvA12 ILE 5 HG13 -0.09 0.01 0.01 -0.04 1.21 1.09 2kvvA12 ILE 5 HG23 -0.11 -0.02 -0.14 -0.04 0.93 0.62 2kvvA12 ILE 5 HD13 -0.06 -0.02 -0.14 -0.04 0.88 0.63 2kvvA12 PHE 6 H 0.02 0.30 0.21 -0.55 8.34 8.31 2kvvA12 PHE 6 HA -0.02 0.07 0.62 -0.75 4.62 4.53 2kvvA12 PHE 6 HB2 -0.00 0.05 0.14 -0.04 3.15 3.29 2kvvA12 PHE 6 HB3 0.00 -0.05 0.05 -0.04 3.06 3.02 2kvvA12 PHE 6 HD2 0.00 -0.02 -0.03 -0.04 7.28 7.19 2kvvA12 PHE 6 HE2 0.01 -0.02 -0.04 -0.04 7.38 7.28 2kvvA12 PHE 6 HZ 0.01 -0.01 -0.04 -0.04 7.32 7.24 2kvvA12 ASN 7 H 0.05 0.16 -0.03 -0.55 8.53 8.16 2kvvA12 ASN 7 HA 0.02 0.19 0.61 -0.75 4.76 4.82 2kvvA12 ASN 7 HB2 0.01 0.06 -0.27 -0.04 2.88 2.64 2kvvA12 ASN 7 HB3 -0.01 -0.01 0.02 -0.04 2.79 2.75 2kvvA12 ASN 7 HD21 0.03 0.02 0.02 -0.04 7.03 7.06 2kvvA12 ASN 7 HD22 0.02 -0.00 0.02 -0.04 7.74 7.74 2kvvA12 GLU 8 H -0.03 0.16 -0.01 -0.55 8.60 8.16 2kvvA12 GLU 8 HA -0.32 0.04 0.46 -0.75 4.29 3.72 2kvvA12 GLU 8 HB2 -0.20 0.02 0.16 -0.04 2.09 2.03 2kvvA12 GLU 8 HB3 -1.10 0.04 -0.00 -0.04 1.99 0.89 2kvvA12 GLU 8 HG2 0.01 0.07 0.02 -0.04 2.34 2.40 2kvvA12 GLU 8 HG3 -0.20 0.02 0.00 -0.04 2.34 2.11 2kvvA12 GLU 9 H -0.18 0.26 0.33 -0.55 8.60 8.46 2kvvA12 GLU 9 HA -0.19 0.09 0.63 -0.75 4.29 4.07 2kvvA12 GLU 9 HB2 0.03 -0.09 0.22 -0.04 2.09 2.21 2kvvA12 GLU 9 HB3 -0.12 0.03 -0.01 -0.04 1.99 1.85 2kvvA12 GLU 9 HG2 -0.02 0.16 0.04 -0.04 2.34 2.47 2kvvA12 GLU 9 HG3 -0.13 0.02 0.04 -0.04 2.34 2.22 2kvvA12 TRP 10 H -0.02 0.21 0.18 -0.55 7.97 7.80 2kvvA12 TRP 10 HA 0.18 0.21 0.82 -0.75 4.62 5.06 2kvvA12 TRP 10 HB2 -0.23 -0.00 0.12 -0.04 3.23 3.08 2kvvA12 TRP 10 HB3 -0.10 -0.03 -0.04 -0.04 3.23 3.02 2kvvA12 TRP 10 HD1 -0.14 -0.02 0.05 -0.04 7.22 7.08 2kvvA12 TRP 10 HE1 -0.07 -0.01 -0.00 -0.04 10.20 10.07 2kvvA12 TRP 10 HE3 0.11 -0.01 -0.30 -0.04 7.59 7.34 2kvvA12 TRP 10 HZ2 -0.02 0.00 -0.04 -0.04 7.44 7.34 2kvvA12 TRP 10 HZ3 0.04 0.00 -0.22 -0.04 7.13 6.91 2kvvA12 TRP 10 HH2 -0.00 0.05 -0.08 -0.04 7.19 7.12 2kvvA12 MET 11 H 0.56 0.40 0.26 -0.55 8.47 9.15 2kvvA12 MET 11 HA 0.68 0.09 0.59 -0.75 4.52 5.13 2kvvA12 MET 11 HB2 0.20 -0.11 0.02 -0.04 2.15 2.22 2kvvA12 MET 11 HB3 0.23 0.16 -0.20 -0.04 2.03 2.18 2kvvA12 MET 11 HG2 0.22 0.05 -0.19 -0.04 2.63 2.67 2kvvA12 MET 11 HG3 0.24 -0.01 -0.19 -0.04 2.56 2.55 2kvvA12 MET 11 HE3 -0.08 0.00 -0.16 -0.04 2.10 1.82 2kvvA12 VAL 12 H 0.02 0.13 0.15 -0.55 8.24 7.99 2kvvA12 VAL 12 HA 0.02 0.29 0.75 -0.75 4.13 4.43 2kvvA12 VAL 12 HB -0.09 -0.04 0.21 -0.04 2.12 2.17 2kvvA12 VAL 12 HG13 -0.70 0.06 0.01 -0.04 0.97 0.30 2kvvA12 VAL 12 HG23 -0.05 -0.05 -0.02 -0.04 0.95 0.79 2kvvA12 GLU 13 H 0.29 0.24 0.19 -0.55 8.60 8.77 2kvvA12 GLU 13 HA 0.10 0.12 0.28 -0.75 4.29 4.03 2kvvA12 GLU 13 HB2 0.08 0.11 0.13 -0.04 2.09 2.36 2kvvA12 GLU 13 HB3 0.07 -0.02 0.15 -0.04 1.99 2.15 2kvvA12 GLU 13 HG2 -0.01 -0.02 -0.20 -0.04 2.34 2.07 2kvvA12 GLU 13 HG3 -0.07 0.00 -0.00 -0.04 2.34 2.23 2kvvA12 LYS 14 H 0.04 0.11 -0.08 -0.55 8.42 7.94 2kvvA12 LYS 14 HA 0.02 0.09 0.37 -0.75 4.32 4.05 2kvvA12 LYS 14 HB2 0.01 0.00 0.10 -0.04 1.87 1.94 2kvvA12 LYS 14 HB3 0.01 0.00 0.02 -0.04 1.79 1.79 2kvvA12 LYS 14 HG2 0.01 -0.00 0.07 -0.04 1.46 1.50 2kvvA12 LYS 14 HG3 0.00 0.04 0.01 -0.04 1.46 1.47 2kvvA12 LYS 14 HD2 0.02 0.01 -0.34 -0.04 1.69 1.34 2kvvA12 LYS 14 HD3 0.01 0.04 -0.04 -0.04 1.68 1.65 2kvvA12 LYS 14 HE2 0.01 0.02 -0.03 -0.04 2.99 2.94 2kvvA12 LYS 14 HE3 0.01 -0.06 -0.10 -0.04 2.99 2.80 2kvvA12 ALA 15 H 0.06 0.03 -0.30 -0.55 8.40 7.64 2kvvA12 ALA 15 HA 0.04 0.14 0.54 -0.75 4.34 4.31 2kvvA12 ALA 15 HB3 0.08 0.01 0.07 -0.04 1.41 1.53 2kvvA12 LEU 16 H 0.12 0.44 -0.23 -0.55 8.37 8.16 2kvvA12 LEU 16 HA 0.12 0.07 0.29 -0.75 4.35 4.07 2kvvA12 LEU 16 HB2 0.25 0.13 -0.14 -0.04 1.64 1.84 2kvvA12 LEU 16 HB3 0.14 -0.01 0.07 -0.04 1.64 1.80 2kvvA12 LEU 16 HG 0.25 0.00 -0.13 -0.04 1.64 1.72 2kvvA12 LEU 16 HD13 0.20 -0.02 -0.28 -0.04 0.93 0.79 2kvvA12 LEU 16 HD23 0.31 0.00 -0.06 -0.04 0.89 1.10 2kvvA12 MET 17 H 0.07 0.67 -0.03 -0.55 8.47 8.63 2kvvA12 MET 17 HA 0.08 -0.07 0.33 -0.75 4.52 4.10 2kvvA12 MET 17 HB2 0.03 0.38 0.09 -0.04 2.15 2.61 2kvvA12 MET 17 HB3 0.03 -0.11 -0.03 -0.04 2.03 1.87 2kvvA12 MET 17 HG2 0.03 0.12 0.14 -0.04 2.63 2.88 2kvvA12 MET 17 HG3 0.03 0.06 -0.08 -0.04 2.56 2.53 2kvvA12 MET 17 HE3 -0.00 -0.05 -0.16 -0.04 2.10 1.85 2kvvA12 VAL 18 H 0.04 0.21 -0.53 -0.55 8.24 7.41 2kvvA12 VAL 18 HA 0.03 0.08 0.46 -0.75 4.13 3.95 2kvvA12 VAL 18 HB 0.02 0.14 0.09 -0.04 2.12 2.33 2kvvA12 VAL 18 HG13 0.01 -0.01 -0.01 -0.04 0.97 0.92 2kvvA12 VAL 18 HG23 0.02 0.04 0.07 -0.04 0.95 1.05 2kvvA12 ARG 19 H 0.03 0.29 -0.20 -0.55 8.46 8.03 2kvvA12 ARG 19 HA -0.02 0.11 0.55 -0.75 4.34 4.23 2kvvA12 ARG 19 HB2 -0.14 0.03 0.10 -0.04 1.90 1.84 2kvvA12 ARG 19 HB3 -0.46 -0.04 0.09 -0.04 1.80 1.34 2kvvA12 ARG 19 HG2 -0.06 0.17 0.05 -0.04 1.67 1.78 2kvvA12 ARG 19 HG3 -0.22 -0.08 -0.02 -0.04 1.67 1.32 2kvvA12 ARG 19 HD2 -0.06 0.05 -0.10 -0.04 3.22 3.07 2kvvA12 ARG 19 HD3 -0.07 -0.04 -0.03 -0.04 3.22 3.03 2kvvA12 THR 20 H 0.11 0.20 -0.25 -0.55 8.28 7.79 2kvvA12 THR 20 HA 0.21 0.19 0.82 -0.75 4.39 4.85 2kvvA12 THR 20 HB 0.14 -0.01 -0.03 -0.04 4.32 4.37 2kvvA12 THR 20 HG23 0.28 0.01 -0.12 -0.04 1.22 1.35 2kvvA12 GLY 21 H 0.08 0.38 0.01 -0.55 8.43 8.35 2kvvA12 GLY 21 HA2 0.04 0.04 0.34 -0.51 4.01 3.92 2kvvA12 GLY 21 HA3 0.05 0.13 0.69 -0.51 4.01 4.38 2kvvA12 LEU 22 H 0.08 0.00 -0.08 -0.55 8.37 7.82 2kvvA12 LEU 22 HA 0.04 0.18 0.75 -0.75 4.35 4.57 2kvvA12 LEU 22 HB2 0.10 -0.04 -0.02 -0.04 1.64 1.63 2kvvA12 LEU 22 HB3 0.06 -0.06 0.03 -0.04 1.64 1.63 2kvvA12 LEU 22 HG 0.12 0.03 -0.04 -0.04 1.64 1.71 2kvvA12 LEU 22 HD13 0.11 0.01 -0.30 -0.04 0.93 0.71 2kvvA12 LEU 22 HD23 0.24 -0.01 -0.12 -0.04 0.89 0.96 2kvvA12 GLY 23 H -0.00 0.13 0.17 -0.55 8.43 8.17 2kvvA12 GLY 23 HA2 -0.00 0.28 0.89 -0.51 4.01 4.67 2kvvA12 GLY 23 HA3 -0.02 0.06 0.35 -0.51 4.01 3.89 2kvvA12 ALA 24 H -0.03 0.26 0.14 -0.55 8.40 8.22 2kvvA12 ALA 24 HA -0.06 0.06 0.36 -0.75 4.34 3.94 2kvvA12 ALA 24 HB3 -0.04 0.04 0.09 -0.04 1.41 1.46 2kvvA12 ARG 25 H -0.06 0.10 -0.19 -0.55 8.46 7.75 2kvvA12 ARG 25 HA -0.11 0.10 0.37 -0.75 4.34 3.94 2kvvA12 ARG 25 HB2 -0.08 -0.03 0.02 -0.04 1.90 1.77 2kvvA12 ARG 25 HB3 -0.09 0.09 -0.00 -0.04 1.80 1.76 2kvvA12 ARG 25 HG2 -0.06 0.05 0.02 -0.04 1.67 1.65 2kvvA12 ARG 25 HG3 -0.05 -0.10 0.05 -0.04 1.67 1.53 2kvvA12 ARG 25 HD2 -0.05 0.05 -0.00 -0.04 3.22 3.18 2kvvA12 ARG 25 HD3 -0.04 0.03 0.01 -0.04 3.22 3.18 2kvvA12 GLN 26 H -0.10 0.12 -0.35 -0.55 8.47 7.59 2kvvA12 GLN 26 HA -0.29 0.13 0.51 -0.75 4.36 3.96 2kvvA12 GLN 26 HB2 -0.04 0.03 0.19 -0.04 2.15 2.29 2kvvA12 GLN 26 HB3 -0.02 0.07 0.02 -0.04 2.02 2.05 2kvvA12 GLN 26 HG2 -0.13 0.09 0.02 -0.04 2.40 2.34 2kvvA12 GLN 26 HG3 -0.09 -0.10 0.05 -0.04 2.39 2.20 2kvvA12 GLN 26 HE21 -0.00 0.03 0.01 -0.04 6.97 6.97 2kvvA12 GLN 26 HE22 0.02 0.12 0.02 -0.04 7.69 7.81 2kvvA12 ILE 27 H -0.12 0.48 -0.03 -0.55 8.25 8.03 2kvvA12 ILE 27 HA -0.21 0.08 0.32 -0.75 4.18 3.61 2kvvA12 ILE 27 HB -0.15 -0.00 0.09 -0.04 1.89 1.79 2kvvA12 ILE 27 HG12 0.05 0.03 -0.10 -0.04 1.49 1.43 2kvvA12 ILE 27 HG13 -0.02 0.16 -0.12 -0.04 1.21 1.18 2kvvA12 ILE 27 HG23 -0.25 -0.01 -0.11 -0.04 0.93 0.52 2kvvA12 ILE 27 HD13 0.02 -0.02 -0.14 -0.04 0.88 0.69 2kvvA12 GLU 28 H -0.21 0.64 -0.02 -0.55 8.60 8.46 2kvvA12 GLU 28 HA -0.27 0.02 0.44 -0.75 4.29 3.72 2kvvA12 GLU 28 HB2 -0.15 0.01 0.01 -0.04 2.09 1.93 2kvvA12 GLU 28 HB3 -0.14 -0.04 0.09 -0.04 1.99 1.86 2kvvA12 GLU 28 HG2 -0.16 0.17 0.17 -0.04 2.34 2.48 2kvvA12 GLU 28 HG3 -0.17 0.09 -0.10 -0.04 2.34 2.12 2kvvA12 SER 29 H -0.32 0.29 -0.44 -0.55 8.46 7.44 2kvvA12 SER 29 HA -0.24 0.03 0.43 -0.75 4.49 3.95 2kvvA12 SER 29 HB2 -0.30 0.09 0.19 -0.04 3.95 3.88 2kvvA12 SER 29 HB3 -0.65 0.21 0.19 -0.04 3.93 3.65 2kvvA12 TYR 30 H -0.61 0.40 -0.25 -0.55 8.29 7.28 2kvvA12 TYR 30 HA -0.34 0.05 0.64 -0.75 4.56 4.16 2kvvA12 TYR 30 HB2 -1.39 0.11 0.11 -0.04 3.06 1.85 2kvvA12 TYR 30 HB3 -1.20 -0.08 0.04 -0.04 2.98 1.69 2kvvA12 TYR 30 HD2 -0.25 -0.07 -0.06 -0.04 7.15 6.73 2kvvA12 TYR 30 HE2 0.10 -0.02 -0.06 -0.04 6.85 6.83 2kvvA12 ARG 31 H -0.60 0.48 -0.12 -0.55 8.46 7.66 2kvvA12 ARG 31 HA -0.38 0.00 0.49 -0.75 4.34 3.70 2kvvA12 ARG 31 HB2 -0.31 0.07 0.17 -0.04 1.90 1.79 2kvvA12 ARG 31 HB3 -0.19 -0.02 0.05 -0.04 1.80 1.60 2kvvA12 ARG 31 HG2 -0.47 -0.03 -0.03 -0.04 1.67 1.10 2kvvA12 ARG 31 HG3 -0.72 0.15 -0.11 -0.04 1.67 0.95 2kvvA12 ARG 31 HD2 -0.07 0.03 -0.02 -0.04 3.22 3.12 2kvvA12 ARG 31 HD3 -0.13 -0.06 -0.06 -0.04 3.22 2.93 2kvvA12 GLN 32 H -0.21 0.27 -0.60 -0.55 8.47 7.39 2kvvA12 GLN 32 HA -0.06 0.03 0.44 -0.75 4.36 4.02 2kvvA12 GLN 32 HB2 -0.10 0.22 0.11 -0.04 2.15 2.34 2kvvA12 GLN 32 HB3 -0.05 -0.06 0.07 -0.04 2.02 1.94 2kvvA12 GLN 32 HG2 -0.08 -0.07 0.02 -0.04 2.40 2.23 2kvvA12 GLN 32 HG3 -0.15 0.29 0.10 -0.04 2.39 2.58 2kvvA12 GLN 32 HE21 -0.05 -0.01 0.02 -0.04 6.97 6.88 2kvvA12 GLN 32 HE22 -0.06 -0.03 0.01 -0.04 7.69 7.56 2kvvA12 GLY 33 H -0.01 0.18 -0.46 -0.55 8.43 7.59 2kvvA12 GLY 33 HA2 0.08 0.13 0.54 -0.51 4.01 4.25 2kvvA12 GLY 33 HA3 0.05 -0.01 0.20 -0.51 4.01 3.74 2kvvA12 ALA 34 H 0.08 0.10 0.17 -0.55 8.40 8.20 2kvvA12 ALA 34 HA 0.13 0.02 0.32 -0.75 4.34 4.06 2kvvA12 ALA 34 HB3 0.06 -0.01 0.13 -0.04 1.41 1.55 2kvvA12 TRP 35 H 0.45 0.47 -0.25 -0.55 7.97 8.09 2kvvA12 TRP 35 HA 0.27 -0.03 0.50 -0.75 4.62 4.61 2kvvA12 TRP 35 HB2 0.10 0.07 0.06 -0.04 3.23 3.42 2kvvA12 TRP 35 HB3 0.40 -0.04 -0.13 -0.04 3.23 3.42 2kvvA12 TRP 35 HD1 0.10 -0.02 -0.13 -0.04 7.22 7.13 2kvvA12 TRP 35 HE1 -0.56 -0.07 -0.10 -0.04 10.20 9.42 2kvvA12 TRP 35 HE3 0.03 -0.14 -0.70 -0.04 7.59 6.75 2kvvA12 TRP 35 HZ2 -0.10 -0.05 -0.09 -0.04 7.44 7.16 2kvvA12 TRP 35 HZ3 -0.64 0.04 -0.11 -0.04 7.13 6.38 2kvvA12 TRP 35 HH2 -0.24 0.01 -0.06 -0.04 7.19 6.85 2kvvA12 ILE 36 H 0.00 0.16 0.25 -0.55 8.25 8.11 2kvvA12 ILE 36 HA 0.13 0.21 0.79 -0.75 4.18 4.55 2kvvA12 ILE 36 HB -0.23 -0.13 0.14 -0.04 1.89 1.63 2kvvA12 ILE 36 HG12 0.01 0.07 -0.05 -0.04 1.49 1.48 2kvvA12 ILE 36 HG13 -0.09 0.23 -0.01 -0.04 1.21 1.30 2kvvA12 ILE 36 HG23 -0.07 0.04 0.01 -0.04 0.93 0.87 2kvvA12 ILE 36 HD13 -0.11 -0.02 0.02 -0.04 0.88 0.73 2kvvA12 GLU 37 H -0.07 0.20 0.16 -0.55 8.60 8.34 2kvvA12 GLU 37 HA -1.44 0.08 0.39 -0.75 4.29 2.57 2kvvA12 GLU 37 HB2 -0.20 0.00 0.06 -0.04 2.09 1.91 2kvvA12 GLU 37 HB3 -0.08 0.05 0.12 -0.04 1.99 2.04 2kvvA12 GLU 37 HG2 -0.04 0.01 0.15 -0.04 2.34 2.42 2kvvA12 GLU 37 HG3 -0.10 -0.00 0.06 -0.04 2.34 2.26 2kvvA12 GLY 38 H -0.51 0.47 0.36 -0.55 8.43 8.21 2kvvA12 GLY 38 HA2 -0.11 -0.03 0.43 -0.51 4.01 3.78 2kvvA12 GLY 38 HA3 -0.11 0.09 0.51 -0.51 4.01 3.99 2kvvA12 VAL 39 H -0.18 0.34 -0.94 -0.55 8.24 6.91 2kvvA12 VAL 39 HA -0.00 0.11 0.54 -0.75 4.13 4.03 2kvvA12 VAL 39 HB -0.24 -0.04 0.08 -0.04 2.12 1.88 2kvvA12 VAL 39 HG13 -0.07 -0.00 -0.07 -0.04 0.97 0.79 2kvvA12 VAL 39 HG23 -0.09 0.05 -0.02 -0.04 0.95 0.86 2kvvA12 HIS 40 H -0.10 0.57 0.19 -0.55 8.41 8.53 2kvvA12 HIS 40 HA -0.21 0.18 0.92 -0.75 4.63 4.76 2kvvA12 HIS 40 HB2 -0.18 -0.11 0.18 -0.04 3.26 3.11 2kvvA12 HIS 40 HB3 -0.99 -0.04 0.05 -0.04 3.20 2.19 2kvvA12 HIS 40 HD2 -0.22 0.05 -0.11 -0.04 6.97 6.65 2kvvA12 HIS 40 HE1 -0.07 0.01 -0.05 -0.04 7.75 7.60 2kvvA12 PHE 41 H -0.15 0.27 0.03 -0.55 8.34 7.94 2kvvA12 PHE 41 HA 0.15 0.15 0.56 -0.75 4.62 4.72 2kvvA12 PHE 41 HB2 0.10 0.06 -0.09 -0.04 3.15 3.18 2kvvA12 PHE 41 HB3 0.29 0.02 -0.21 -0.04 3.06 3.12 2kvvA12 PHE 41 HD2 0.16 -0.03 -0.43 -0.04 7.28 6.94 2kvvA12 PHE 41 HE2 0.15 0.21 -0.32 -0.04 7.38 7.38 2kvvA12 PHE 41 HZ 0.11 0.04 -0.09 -0.04 7.32 7.34 2kvvA12 LYS 42 H 0.27 0.64 0.22 -0.55 8.42 8.99 2kvvA12 LYS 42 HA -0.04 0.06 0.98 -0.75 4.32 4.57 2kvvA12 LYS 42 HB2 -0.04 -0.01 0.01 -0.04 1.87 1.79 2kvvA12 LYS 42 HB3 -0.08 0.05 -0.03 -0.04 1.79 1.70 2kvvA12 LYS 42 HG2 -0.01 0.05 -0.08 -0.04 1.46 1.38 2kvvA12 LYS 42 HG3 0.18 -0.07 -0.42 -0.04 1.46 1.10 2kvvA12 LYS 42 HD2 0.19 0.06 -0.09 -0.04 1.69 1.81 2kvvA12 LYS 42 HD3 -0.51 -0.04 -0.10 -0.04 1.68 0.99 2kvvA12 LYS 42 HE2 -0.05 0.03 0.00 -0.04 2.99 2.94 2kvvA12 LYS 42 HE3 -0.15 -0.01 -0.03 -0.04 2.99 2.76 2kvvA12 ARG 43 H 0.03 0.14 0.12 -0.55 8.46 8.19 2kvvA12 ARG 43 HA 0.12 0.11 0.52 -0.75 4.34 4.34 2kvvA12 ARG 43 HB2 0.04 0.00 0.15 -0.04 1.90 2.05 2kvvA12 ARG 43 HB3 0.07 0.03 -0.06 -0.04 1.80 1.80 2kvvA12 ARG 43 HG2 0.20 0.05 -0.08 -0.04 1.67 1.79 2kvvA12 ARG 43 HG3 0.10 -0.09 0.01 -0.04 1.67 1.65 2kvvA12 ARG 43 HD2 0.07 0.03 -0.01 -0.04 3.22 3.27 2kvvA12 ARG 43 HD3 0.10 0.01 -0.01 -0.04 3.22 3.28 2kvvA12 VAL 44 H 0.12 0.61 0.20 -0.55 8.24 8.61 2kvvA12 VAL 44 HA 0.01 0.13 0.89 -0.75 4.13 4.41 2kvvA12 VAL 44 HB 0.34 0.10 0.20 -0.04 2.12 2.71 2kvvA12 VAL 44 HG13 0.06 -0.00 -0.17 -0.04 0.97 0.81 2kvvA12 VAL 44 HG23 -0.01 0.00 -0.14 -0.04 0.95 0.75 2kvvA12 SER 45 H 0.01 0.21 0.11 -0.55 8.46 8.23 2kvvA12 SER 45 HA 0.03 0.12 0.61 -0.75 4.49 4.49 2kvvA12 SER 45 HB2 -0.00 0.02 -0.01 -0.04 3.95 3.92 2kvvA12 SER 45 HB3 0.01 -0.13 -0.02 -0.04 3.93 3.74 2kvvA12 PRO 46 HA 0.03 0.11 0.40 -0.51 4.44 4.48 2kvvA12 PRO 46 HB2 0.02 0.03 0.06 -0.04 2.28 2.34 2kvvA12 PRO 46 HB3 0.03 0.04 0.13 -0.04 2.02 2.18 2kvvA12 PRO 46 HG2 0.01 -0.03 0.00 -0.04 2.03 1.98 2kvvA12 PRO 46 HG3 0.01 0.09 0.09 -0.04 2.03 2.19 2kvvA12 PRO 46 HD2 0.02 0.02 0.18 -0.04 3.68 3.85 2kvvA12 PRO 46 HD3 0.03 0.30 0.28 -0.04 3.65 4.20 2kvvA12 SER 47 H 0.01 -0.07 -0.50 -0.55 8.46 7.35 2kvvA12 SER 47 HA -0.00 0.23 0.71 -0.75 4.49 4.67 2kvvA12 SER 47 HB2 0.00 0.07 -0.11 -0.04 3.95 3.87 2kvvA12 SER 47 HB3 0.00 -0.15 0.05 -0.04 3.93 3.79 2kvvA12 GLY 48 H -0.00 0.03 0.04 -0.55 8.43 7.95 2kvvA12 GLY 48 HA2 -0.02 0.08 0.34 -0.51 4.01 3.91 2kvvA12 GLY 48 HA3 -0.01 0.12 0.46 -0.51 4.01 4.06 2kvvA12 GLU 49 H -0.00 0.01 0.07 -0.55 8.60 8.14 2kvvA12 GLU 49 HA -0.00 0.18 0.53 -0.75 4.29 4.24 2kvvA12 GLU 49 HB2 -0.00 -0.05 0.16 -0.04 2.09 2.16 2kvvA12 GLU 49 HB3 -0.00 0.03 0.07 -0.04 1.99 2.05 2kvvA12 GLU 49 HG2 0.00 0.11 -0.27 -0.04 2.34 2.14 2kvvA12 GLU 49 HG3 -0.00 0.05 -0.01 -0.04 2.34 2.33 2kvvA12 LYS 50 H 0.00 0.11 0.12 -0.55 8.42 8.10 2kvvA12 LYS 50 HA 0.01 0.06 0.41 -0.75 4.32 4.04 2kvvA12 LYS 50 HB2 0.00 -0.03 0.16 -0.04 1.87 1.97 2kvvA12 LYS 50 HB3 0.01 0.06 -0.02 -0.04 1.79 1.79 2kvvA12 LYS 50 HG2 0.01 0.02 0.03 -0.04 1.46 1.48 2kvvA12 LYS 50 HG3 0.01 0.04 0.04 -0.04 1.46 1.50 2kvvA12 LYS 50 HD2 0.00 0.05 0.03 -0.04 1.69 1.73 2kvvA12 LYS 50 HD3 0.00 -0.11 0.05 -0.04 1.68 1.58 2kvvA12 LYS 50 HE2 -0.00 0.01 0.06 -0.04 2.99 3.02 2kvvA12 LYS 50 HE3 0.00 -0.04 0.11 -0.04 2.99 3.02 2kvvA12 THR 51 H 0.01 0.18 0.18 -0.55 8.28 8.10 2kvvA12 THR 51 HA 0.01 0.16 0.80 -0.75 4.39 4.60 2kvvA12 THR 51 HB 0.01 0.02 -0.21 -0.04 4.32 4.11 2kvvA12 THR 51 HG23 0.01 -0.04 -0.03 -0.04 1.22 1.12 2kvvA12 LEU 52 H 0.01 0.12 0.10 -0.55 8.37 8.05 2kvvA12 LEU 52 HA 0.01 0.19 0.71 -0.75 4.35 4.51 2kvvA12 LEU 52 HB2 0.00 -0.07 0.15 -0.04 1.64 1.68 2kvvA12 LEU 52 HB3 0.00 0.05 0.03 -0.04 1.64 1.68 2kvvA12 LEU 52 HG 0.00 0.03 0.02 -0.04 1.64 1.65 2kvvA12 LEU 52 HD13 0.01 0.02 -0.05 -0.04 0.93 0.87 2kvvA12 LEU 52 HD23 0.01 -0.02 -0.01 -0.04 0.89 0.82 2kvvA12 ARG 53 H 0.01 0.05 0.03 -0.55 8.46 7.98 2kvvA12 ARG 53 HA -0.00 0.18 0.66 -0.75 4.34 4.42 2kvvA12 ARG 53 HB2 0.00 -0.03 0.19 -0.04 1.90 2.02 2kvvA12 ARG 53 HB3 -0.00 0.04 0.10 -0.04 1.80 1.89 2kvvA12 ARG 53 HG2 0.00 -0.07 0.02 -0.04 1.67 1.58 2kvvA12 ARG 53 HG3 -0.00 0.02 0.04 -0.04 1.67 1.69 2kvvA12 ARG 53 HD2 -0.01 0.01 -0.00 -0.04 3.22 3.18 2kvvA12 ARG 53 HD3 -0.00 0.06 -0.07 -0.04 3.22 3.16 2kvvA12 GLY 54 H 0.01 0.49 -0.19 -0.55 8.43 8.19 2kvvA12 GLY 54 HA2 0.02 0.12 0.63 -0.51 4.01 4.28 2kvvA12 GLY 54 HA3 0.03 0.02 0.14 -0.51 4.01 3.69 2kvvA12 THR 55 H 0.04 0.58 0.27 -0.55 8.28 8.62 2kvvA12 THR 55 HA -0.10 0.01 0.52 -0.75 4.39 4.07 2kvvA12 THR 55 HB 0.20 0.02 0.14 -0.04 4.32 4.65 2kvvA12 THR 55 HG23 -0.40 -0.02 -0.16 -0.04 1.22 0.59 2kvvA12 THR 56 H -0.19 0.15 0.17 -0.55 8.28 7.87 2kvvA12 THR 56 HA 0.02 0.30 0.78 -0.75 4.39 4.74 2kvvA12 THR 56 HB -0.22 -0.08 0.18 -0.04 4.32 4.16 2kvvA12 THR 56 HG23 -0.15 -0.00 -0.21 -0.04 1.22 0.81 2kvvA12 TRP 57 H 0.24 0.44 0.23 -0.55 7.97 8.33 2kvvA12 TRP 57 HA -0.13 0.08 0.65 -0.75 4.62 4.47 2kvvA12 TRP 57 HB2 -0.01 0.03 0.05 -0.04 3.23 3.26 2kvvA12 TRP 57 HB3 0.21 -0.05 -0.07 -0.04 3.23 3.28 2kvvA12 TRP 57 HD1 -0.09 0.16 -0.06 -0.04 7.22 7.19 2kvvA12 TRP 57 HE1 -0.05 0.03 -0.10 -0.04 10.20 10.04 2kvvA12 TRP 57 HE3 0.17 -0.08 -0.51 -0.04 7.59 7.13 2kvvA12 TRP 57 HZ2 -0.00 0.03 -0.06 -0.04 7.44 7.36 2kvvA12 TRP 57 HZ3 0.09 0.06 -0.04 -0.04 7.13 7.20 2kvvA12 TRP 57 HH2 0.04 0.02 -0.03 -0.04 7.19 7.17 2kvvA12 TYR 58 H 0.29 0.55 0.29 -0.55 8.29 8.87 2kvvA12 TYR 58 HA 0.25 0.16 0.87 -0.75 4.56 5.09 2kvvA12 TYR 58 HB2 0.23 0.03 0.10 -0.04 3.06 3.38 2kvvA12 TYR 58 HB3 0.13 0.06 -0.01 -0.04 2.98 3.12 2kvvA12 TYR 58 HD2 0.21 0.04 -0.08 -0.04 7.15 7.29 2kvvA12 TYR 58 HE2 0.10 -0.15 0.01 -0.04 6.85 6.77 2kvvA12 ASN 59 H 0.16 0.66 0.15 -0.55 8.53 8.95 2kvvA12 ASN 59 HA -0.10 0.10 0.46 -0.75 4.76 4.46 2kvvA12 ASN 59 HB2 -0.09 0.02 0.23 -0.04 2.88 3.00 2kvvA12 ASN 59 HB3 -0.14 -0.08 0.06 -0.04 2.79 2.58 2kvvA12 ASN 59 HD21 0.11 -0.00 -0.04 -0.04 7.03 7.05 2kvvA12 ASN 59 HD22 0.35 0.05 -0.23 -0.04 7.74 7.87 2kvvA12 TYR 60 H 0.03 0.63 0.39 -0.55 8.29 8.79 2kvvA12 TYR 60 HA -0.05 -0.01 0.33 -0.75 4.56 4.08 2kvvA12 TYR 60 HB2 -0.01 0.03 0.13 -0.04 3.06 3.18 2kvvA12 TYR 60 HB3 -0.13 -0.01 0.27 -0.04 2.98 3.08 2kvvA12 TYR 60 HD2 -0.03 -0.02 -0.02 -0.04 7.15 7.04 2kvvA12 TYR 60 HE2 -0.01 0.05 -0.16 -0.04 6.85 6.69 2kvvA12 PRO 61 HA -0.28 0.09 0.40 -0.51 4.44 4.14 2kvvA12 PRO 61 HB2 -0.15 0.09 -0.07 -0.04 2.28 2.11 2kvvA12 PRO 61 HB3 -0.13 0.07 0.03 -0.04 2.02 1.96 2kvvA12 PRO 61 HG2 -0.24 0.05 -0.01 -0.04 2.03 1.79 2kvvA12 PRO 61 HG3 -0.25 -0.03 0.02 -0.04 2.03 1.73 2kvvA12 PRO 61 HD2 -0.24 0.08 0.03 -0.04 3.68 3.51 2kvvA12 PRO 61 HD3 -0.08 0.02 0.27 -0.04 3.65 3.82 2kvvA12 GLU 62 H -0.23 0.17 -0.27 -0.55 8.60 7.72 2kvvA12 GLU 62 HA -0.20 0.06 0.47 -0.75 4.29 3.86 2kvvA12 GLU 62 HB2 -0.36 0.14 0.21 -0.04 2.09 2.04 2kvvA12 GLU 62 HB3 -0.65 -0.02 0.03 -0.04 1.99 1.30 2kvvA12 GLU 62 HG2 -0.10 -0.15 0.06 -0.04 2.34 2.10 2kvvA12 GLU 62 HG3 0.02 0.49 0.21 -0.04 2.34 3.01 2kvvA12 ILE 63 H -0.36 0.48 -0.10 -0.55 8.25 7.73 2kvvA12 ILE 63 HA -0.34 0.04 0.46 -0.75 4.18 3.59 2kvvA12 ILE 63 HB -0.16 0.10 0.13 -0.04 1.89 1.92 2kvvA12 ILE 63 HG12 -0.86 -0.04 -0.04 -0.04 1.49 0.51 2kvvA12 ILE 63 HG13 -0.42 0.32 -0.00 -0.04 1.21 1.07 2kvvA12 ILE 63 HG23 0.17 -0.02 -0.12 -0.04 0.93 0.92 2kvvA12 ILE 63 HD13 0.11 -0.03 -0.19 -0.04 0.88 0.73 2kvvA12 ASN 64 H -0.40 0.75 0.02 -0.55 8.53 8.35 2kvvA12 ASN 64 HA -0.19 0.03 0.45 -0.75 4.76 4.29 2kvvA12 ASN 64 HB2 -0.79 0.05 0.11 -0.04 2.88 2.20 2kvvA12 ASN 64 HB3 -0.34 0.07 0.14 -0.04 2.79 2.62 2kvvA12 ASN 64 HD21 -0.30 -0.01 0.00 -0.04 7.03 6.68 2kvvA12 ASN 64 HD22 -0.06 0.00 0.00 -0.04 7.74 7.64 2kvvA12 LYS 65 H -0.19 0.54 -0.19 -0.55 8.42 8.03 2kvvA12 LYS 65 HA -0.09 -0.01 0.44 -0.75 4.32 3.91 2kvvA12 LYS 65 HB2 -0.10 0.03 0.15 -0.04 1.87 1.91 2kvvA12 LYS 65 HB3 -0.10 0.20 0.18 -0.04 1.79 2.03 2kvvA12 LYS 65 HG2 -0.01 0.00 -0.16 -0.04 1.46 1.25 2kvvA12 LYS 65 HG3 -0.04 -0.05 0.06 -0.04 1.46 1.39 2kvvA12 LYS 65 HD2 -0.00 -0.02 -0.00 -0.04 1.69 1.62 2kvvA12 LYS 65 HD3 -0.04 -0.02 0.01 -0.04 1.68 1.59 2kvvA12 LYS 65 HE2 -0.06 0.03 0.08 -0.04 2.99 3.01 2kvvA12 LYS 65 HE3 0.05 0.01 0.00 -0.04 2.99 3.00 2kvvA12 PHE 66 H -0.01 0.36 -0.37 -0.55 8.34 7.78 2kvvA12 PHE 66 HA -0.08 0.02 0.55 -0.75 4.62 4.36 2kvvA12 PHE 66 HB2 -0.10 0.02 0.12 -0.04 3.15 3.15 2kvvA12 PHE 66 HB3 -0.13 0.17 0.21 -0.04 3.06 3.26 2kvvA12 PHE 66 HD2 -0.09 0.02 -0.05 -0.04 7.28 7.12 2kvvA12 PHE 66 HE2 -0.38 -0.01 -0.03 -0.04 7.38 6.92 2kvvA12 PHE 66 HZ -0.07 -0.00 -0.02 -0.04 7.32 7.18 2kvvA12 ILE 67 H 0.01 0.62 0.02 -0.55 8.25 8.35 2kvvA12 ILE 67 HA -0.13 -0.01 0.38 -0.75 4.18 3.67 2kvvA12 ILE 67 HB -0.06 0.11 0.22 -0.04 1.89 2.11 2kvvA12 ILE 67 HG12 0.08 -0.07 -0.00 -0.04 1.49 1.46 2kvvA12 ILE 67 HG13 0.06 0.29 0.02 -0.04 1.21 1.53 2kvvA12 ILE 67 HG23 -0.02 0.00 -0.09 -0.04 0.93 0.78 2kvvA12 ILE 67 HD13 0.03 -0.01 -0.04 -0.04 0.88 0.82 2kvvA12 ARG 68 H -0.11 0.66 -0.12 -0.55 8.46 8.34 2kvvA12 ARG 68 HA -0.10 0.00 0.42 -0.75 4.34 3.91 2kvvA12 ARG 68 HB2 -0.10 0.16 0.16 -0.04 1.90 2.08 2kvvA12 ARG 68 HB3 -0.10 -0.03 -0.01 -0.04 1.80 1.63 2kvvA12 ARG 68 HG2 -0.07 0.04 0.04 -0.04 1.67 1.64 2kvvA12 ARG 68 HG3 -0.06 -0.03 0.01 -0.04 1.67 1.55 2kvvA12 ARG 68 HD2 -0.05 -0.02 0.05 -0.04 3.22 3.16 2kvvA12 ARG 68 HD3 -0.04 -0.01 0.01 -0.04 3.22 3.13 2kvvA12 ASP 69 H -0.23 0.38 -0.19 -0.55 8.40 7.81 2kvvA12 ASP 69 HA -0.59 -0.02 0.38 -0.75 4.63 3.65 2kvvA12 ASP 69 HB2 -0.21 0.04 0.17 -0.04 2.71 2.67 2kvvA12 ASP 69 HB3 -0.40 0.12 0.18 -0.04 2.70 2.56 2kvvA12 SER 70 H -0.48 0.57 -0.10 -0.55 8.46 7.90 2kvvA12 SER 70 HA -0.24 0.01 0.41 -0.75 4.49 3.91 2kvvA12 SER 70 HB2 -0.71 -0.06 0.08 -0.04 3.95 3.22 2kvvA12 SER 70 HB3 -0.36 0.05 0.09 -0.04 3.93 3.67 2kvvA12 LEU 71 H -0.19 0.40 -0.31 -0.55 8.37 7.72 2kvvA12 LEU 71 HA -0.02 0.05 0.61 -0.75 4.35 4.24 2kvvA12 LEU 71 HB2 -0.05 -0.01 0.07 -0.04 1.64 1.61 2kvvA12 LEU 71 HB3 -0.07 0.00 0.18 -0.04 1.64 1.71 2kvvA12 LEU 71 HG -0.01 0.00 -0.22 -0.04 1.64 1.38 2kvvA12 LEU 71 HD13 0.01 -0.01 0.03 -0.04 0.93 0.92 2kvvA12 LEU 71 HD23 -0.01 -0.03 -0.04 -0.04 0.89 0.77 2kvvA12 GLU 72 H -0.10 0.61 0.15 -0.55 8.60 8.71 2kvvA12 GLU 72 HA 0.03 0.04 0.39 -0.75 4.29 3.99 2kvvA12 GLU 72 HB2 0.05 -0.07 0.07 -0.04 2.09 2.09 2kvvA12 GLU 72 HB3 -0.01 -0.05 0.11 -0.04 1.99 2.00 2kvvA12 GLU 72 HG2 -0.06 -0.04 -0.04 -0.04 2.34 2.17 2kvvA12 GLU 72 HG3 -0.09 0.07 0.09 -0.04 2.34 2.36 2kvvA12 HIS 73 H -0.04 0.29 -0.20 -0.55 8.41 7.91 2kvvA12 HIS 73 HA -0.06 -0.03 0.53 -0.75 4.63 4.31 2kvvA12 HIS 73 HB2 -0.04 0.15 0.07 -0.04 3.26 3.40 2kvvA12 HIS 73 HB3 -0.13 -0.08 -0.06 -0.04 3.20 2.89 2kvvA12 HIS 73 HD2 -0.04 -0.05 -0.03 -0.04 6.97 6.80 2kvvA12 HIS 73 HE1 -0.03 -0.05 -0.01 -0.04 7.75 7.62 2kvvA12 HIS 74 H -0.27 0.08 0.10 -0.55 8.41 7.77 2kvvA12 HIS 74 HA 0.02 0.13 0.39 -0.75 4.63 4.42 2kvvA12 HIS 74 HB2 -0.08 -0.03 0.15 -0.04 3.26 3.27 2kvvA12 HIS 74 HB3 -0.04 0.03 0.12 -0.04 3.20 3.27 2kvvA12 HIS 74 HD2 -0.29 -0.01 0.12 -0.04 6.97 6.75 2kvvA12 HIS 74 HE1 -0.10 -0.01 0.04 -0.04 7.75 7.64 2kvvA12 HIS 75 H 0.11 0.82 0.07 -0.55 8.41 8.86 2kvvA12 HIS 75 HA 0.03 0.01 0.47 -0.75 4.63 4.39 2kvvA12 HIS 75 HB2 0.00 0.05 -0.06 -0.04 3.26 3.21 2kvvA12 HIS 75 HB3 0.01 -0.05 -0.00 -0.04 3.20 3.11 2kvvA12 HIS 75 HD2 -0.00 -0.04 0.06 -0.04 6.97 6.94 2kvvA12 HIS 75 HE1 -0.06 -0.05 -0.04 -0.04 7.75 7.55 2kvvA12 HIS 76 H 0.05 0.11 0.02 -0.55 8.41 8.05 2kvvA12 HIS 76 HA 0.10 0.21 0.83 -0.75 4.63 5.02 2kvvA12 HIS 76 HB2 0.07 0.06 -0.00 -0.04 3.26 3.34 2kvvA12 HIS 76 HB3 0.07 0.03 0.02 -0.04 3.20 3.27 2kvvA12 HIS 76 HD2 0.06 0.01 -0.00 -0.04 6.97 6.99 2kvvA12 HIS 76 HE1 0.09 -0.04 -0.05 -0.04 7.75 7.71 2kvvA12 HIS 77 H 0.21 0.22 0.16 -0.55 8.41 8.46 2kvvA12 HIS 77 HA 0.02 0.02 0.54 -0.75 4.63 4.46 2kvvA12 HIS 77 HB2 0.05 0.03 0.11 -0.04 3.26 3.41 2kvvA12 HIS 77 HB3 0.06 -0.00 0.17 -0.04 3.20 3.39 2kvvA12 HIS 77 HD2 0.02 -0.06 -0.12 -0.04 6.97 6.76 2kvvA12 HIS 77 HE1 0.01 -0.04 -0.03 -0.04 7.75 7.64 2kvvA12 HIS 78 H -0.20 0.12 0.12 -0.55 8.41 7.91 2kvvA12 HIS 78 HA 0.00 0.13 0.22 -0.75 4.63 4.23 2kvvA12 HIS 78 HB2 -0.11 0.05 0.09 -0.04 3.26 3.25 2kvvA12 HIS 78 HB3 -0.22 -0.02 0.09 -0.04 3.20 3.01 2kvvA12 HIS 78 HD2 -0.07 -0.02 0.02 -0.04 6.97 6.86 2kvvA12 HIS 78 HE1 0.01 -0.00 0.01 -0.04 7.75 7.72