============================================================================= 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 4.361 -16.974 4.215 -99.200 -91.000 TRP 10 1.040 10.879 -22.949 12.261 -99.200 -91.000 TRP6 10 1.020 11.279 -24.533 10.560 -99.200 -91.000 TYR 30 0.840 1.045 -39.540 9.567 -99.200 -91.000 TRP 35 1.040 6.870 -35.411 9.866 -99.200 -91.000 TRP6 35 1.020 4.547 -35.329 9.439 -99.200 -91.000 HIS 40 0.900 4.808 -30.735 5.476 -99.200 -91.000 PHE 41 1.000 12.129 -33.315 8.349 -99.200 -91.000 TRP 57 1.040 13.844 -27.825 16.997 -99.200 -91.000 TRP6 57 1.020 13.071 -26.076 18.383 -99.200 -91.000 TYR 58 0.840 8.497 -33.297 13.581 -99.200 -91.000 TYR 60 0.840 -0.094 -26.065 15.032 -99.200 -91.000 PHE 66 1.000 0.061 -35.341 5.844 -99.200 -91.000 HIS 73 0.900 -8.742 -34.181 -2.028 -99.200 -91.000 HIS 74 0.900 -14.115 -31.863 0.837 -99.200 -91.000 HIS 75 0.900 -11.523 -27.289 -5.292 -99.200 -91.000 HIS 76 0.900 -15.999 -26.128 0.989 -99.200 -91.000 HIS 77 0.900 -12.666 -18.238 -4.608 -99.200 -91.000 HIS 78 0.900 -11.932 -23.918 -9.995 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2kvvA8 MET 1 HA 0.01 -0.09 0.21 -0.75 4.52 3.90 2kvvA8 MET 1 HB2 0.01 -0.01 0.11 -0.04 2.15 2.21 2kvvA8 MET 1 HB3 0.01 -0.02 -0.04 -0.04 2.03 1.94 2kvvA8 MET 1 HG2 0.00 0.00 0.04 -0.04 2.63 2.64 2kvvA8 MET 1 HG3 0.00 -0.00 0.02 -0.04 2.56 2.54 2kvvA8 MET 1 HE3 0.00 0.00 0.01 -0.04 2.10 2.07 2kvvA8 ALA 2 H 0.01 0.18 0.08 -0.55 8.40 8.13 2kvvA8 ALA 2 HA 0.01 0.04 0.51 -0.75 4.34 4.15 2kvvA8 ALA 2 HB3 0.02 0.05 -0.12 -0.04 1.41 1.32 2kvvA8 GLN 3 H 0.02 0.18 0.09 -0.55 8.47 8.21 2kvvA8 GLN 3 HA 0.03 0.15 0.91 -0.75 4.36 4.70 2kvvA8 GLN 3 HB2 0.01 -0.00 0.15 -0.04 2.15 2.27 2kvvA8 GLN 3 HB3 0.02 0.03 -0.05 -0.04 2.02 1.98 2kvvA8 GLN 3 HG2 0.02 0.05 -0.03 -0.04 2.40 2.40 2kvvA8 GLN 3 HG3 0.01 -0.03 -0.09 -0.04 2.39 2.24 2kvvA8 GLN 3 HE21 0.02 0.02 -0.02 -0.04 6.97 6.94 2kvvA8 GLN 3 HE22 0.01 -0.00 -0.02 -0.04 7.69 7.64 2kvvA8 ILE 4 H 0.06 0.21 0.04 -0.55 8.25 8.02 2kvvA8 ILE 4 HA 0.14 0.08 0.45 -0.75 4.18 4.09 2kvvA8 ILE 4 HB 0.11 -0.01 0.19 -0.04 1.89 2.14 2kvvA8 ILE 4 HG12 0.06 0.03 0.02 -0.04 1.49 1.56 2kvvA8 ILE 4 HG13 0.06 0.02 0.01 -0.04 1.21 1.26 2kvvA8 ILE 4 HG23 0.27 -0.00 -0.10 -0.04 0.93 1.05 2kvvA8 ILE 4 HD13 0.09 0.01 -0.12 -0.04 0.88 0.82 2kvvA8 ILE 5 H 0.01 0.29 0.23 -0.55 8.25 8.24 2kvvA8 ILE 5 HA 0.05 0.11 0.69 -0.75 4.18 4.27 2kvvA8 ILE 5 HB -0.11 0.00 0.21 -0.04 1.89 1.95 2kvvA8 ILE 5 HG12 -0.00 0.26 -0.05 -0.04 1.49 1.65 2kvvA8 ILE 5 HG13 -0.02 -0.02 0.01 -0.04 1.21 1.14 2kvvA8 ILE 5 HG23 -0.05 -0.01 -0.12 -0.04 0.93 0.71 2kvvA8 ILE 5 HD13 0.02 0.00 -0.17 -0.04 0.88 0.69 2kvvA8 PHE 6 H 0.19 0.32 0.14 -0.55 8.34 8.44 2kvvA8 PHE 6 HA -0.01 0.15 0.72 -0.75 4.62 4.72 2kvvA8 PHE 6 HB2 -0.00 0.02 -0.01 -0.04 3.15 3.12 2kvvA8 PHE 6 HB3 -0.03 -0.01 -0.12 -0.04 3.06 2.86 2kvvA8 PHE 6 HD2 -0.02 -0.05 -0.28 -0.04 7.28 6.88 2kvvA8 PHE 6 HE2 -0.02 -0.02 -0.07 -0.04 7.38 7.24 2kvvA8 PHE 6 HZ -0.01 0.00 -0.04 -0.04 7.32 7.23 2kvvA8 ASN 7 H 0.04 0.19 0.03 -0.55 8.53 8.25 2kvvA8 ASN 7 HA 0.06 0.12 0.54 -0.75 4.76 4.72 2kvvA8 ASN 7 HB2 0.02 0.04 0.10 -0.04 2.88 2.99 2kvvA8 ASN 7 HB3 0.03 -0.01 0.22 -0.04 2.79 2.99 2kvvA8 ASN 7 HD21 0.04 0.01 0.05 -0.04 7.03 7.09 2kvvA8 ASN 7 HD22 0.05 0.01 -0.00 -0.04 7.74 7.76 2kvvA8 GLU 8 H 0.08 0.51 0.17 -0.55 8.60 8.81 2kvvA8 GLU 8 HA -0.21 0.06 0.49 -0.75 4.29 3.87 2kvvA8 GLU 8 HB2 -0.28 -0.01 0.06 -0.04 2.09 1.82 2kvvA8 GLU 8 HB3 0.01 0.04 0.03 -0.04 1.99 2.02 2kvvA8 GLU 8 HG2 0.16 0.11 0.22 -0.04 2.34 2.78 2kvvA8 GLU 8 HG3 0.35 -0.06 0.20 -0.04 2.34 2.79 2kvvA8 GLU 9 H -0.10 0.40 0.16 -0.55 8.60 8.51 2kvvA8 GLU 9 HA 0.08 0.12 0.57 -0.75 4.29 4.30 2kvvA8 GLU 9 HB2 0.09 -0.11 0.27 -0.04 2.09 2.30 2kvvA8 GLU 9 HB3 0.06 0.03 0.08 -0.04 1.99 2.12 2kvvA8 GLU 9 HG2 0.05 0.02 -0.03 -0.04 2.34 2.34 2kvvA8 GLU 9 HG3 0.05 0.13 -0.01 -0.04 2.34 2.47 2kvvA8 TRP 10 H 0.28 0.40 0.21 -0.55 7.97 8.31 2kvvA8 TRP 10 HA 0.23 0.32 0.69 -0.75 4.62 5.11 2kvvA8 TRP 10 HB2 0.27 -0.02 0.11 -0.04 3.23 3.55 2kvvA8 TRP 10 HB3 0.46 -0.05 -0.08 -0.04 3.23 3.52 2kvvA8 TRP 10 HD1 0.06 0.09 0.11 -0.04 7.22 7.43 2kvvA8 TRP 10 HE1 0.01 -0.00 0.01 -0.04 10.20 10.18 2kvvA8 TRP 10 HE3 0.24 0.03 -0.36 -0.04 7.59 7.46 2kvvA8 TRP 10 HZ2 -0.02 0.02 -0.06 -0.04 7.44 7.34 2kvvA8 TRP 10 HZ3 0.12 -0.12 -0.31 -0.04 7.13 6.78 2kvvA8 TRP 10 HH2 -0.01 0.12 -0.20 -0.04 7.19 7.05 2kvvA8 MET 11 H 0.37 0.67 0.29 -0.55 8.47 9.25 2kvvA8 MET 11 HA -0.25 0.08 0.67 -0.75 4.52 4.26 2kvvA8 MET 11 HB2 -0.11 -0.09 -0.01 -0.04 2.15 1.89 2kvvA8 MET 11 HB3 0.03 0.13 -0.21 -0.04 2.03 1.94 2kvvA8 MET 11 HG2 0.12 0.14 -0.07 -0.04 2.63 2.78 2kvvA8 MET 11 HG3 0.06 -0.07 -0.09 -0.04 2.56 2.42 2kvvA8 MET 11 HE3 -0.07 0.02 -0.10 -0.04 2.10 1.90 2kvvA8 VAL 12 H -0.90 0.15 0.15 -0.55 8.24 7.09 2kvvA8 VAL 12 HA -0.70 0.29 0.60 -0.75 4.13 3.57 2kvvA8 VAL 12 HB -0.41 -0.04 0.18 -0.04 2.12 1.81 2kvvA8 VAL 12 HG13 -1.18 0.05 0.02 -0.04 0.97 -0.19 2kvvA8 VAL 12 HG23 -0.36 -0.07 0.01 -0.04 0.95 0.49 2kvvA8 GLU 13 H -0.40 0.29 0.24 -0.55 8.60 8.18 2kvvA8 GLU 13 HA 0.02 0.11 0.37 -0.75 4.29 4.04 2kvvA8 GLU 13 HB2 -0.10 0.11 0.16 -0.04 2.09 2.22 2kvvA8 GLU 13 HB3 -0.07 -0.03 0.15 -0.04 1.99 2.00 2kvvA8 GLU 13 HG2 0.10 -0.03 -0.19 -0.04 2.34 2.18 2kvvA8 GLU 13 HG3 0.32 0.03 0.00 -0.04 2.34 2.66 2kvvA8 LYS 14 H -0.12 0.10 -0.12 -0.55 8.42 7.72 2kvvA8 LYS 14 HA -0.02 0.09 0.36 -0.75 4.32 4.00 2kvvA8 LYS 14 HB2 -0.06 0.00 0.09 -0.04 1.87 1.86 2kvvA8 LYS 14 HB3 -0.10 -0.01 0.02 -0.04 1.79 1.66 2kvvA8 LYS 14 HG2 -0.03 0.01 0.06 -0.04 1.46 1.46 2kvvA8 LYS 14 HG3 -0.04 0.03 0.01 -0.04 1.46 1.42 2kvvA8 LYS 14 HD2 -0.05 0.01 -0.45 -0.04 1.69 1.16 2kvvA8 LYS 14 HD3 -0.03 0.04 -0.06 -0.04 1.68 1.59 2kvvA8 LYS 14 HE2 -0.05 0.03 -0.04 -0.04 2.99 2.89 2kvvA8 LYS 14 HE3 -0.09 -0.08 -0.09 -0.04 2.99 2.69 2kvvA8 ALA 15 H -0.15 0.06 -0.39 -0.55 8.40 7.38 2kvvA8 ALA 15 HA -0.06 0.13 0.53 -0.75 4.34 4.19 2kvvA8 ALA 15 HB3 -0.15 0.02 0.06 -0.04 1.41 1.30 2kvvA8 LEU 16 H -0.02 0.58 -0.13 -0.55 8.37 8.25 2kvvA8 LEU 16 HA 0.09 0.05 0.35 -0.75 4.35 4.08 2kvvA8 LEU 16 HB2 0.21 0.11 -0.04 -0.04 1.64 1.88 2kvvA8 LEU 16 HB3 0.30 0.03 0.08 -0.04 1.64 2.01 2kvvA8 LEU 16 HG 0.43 0.00 -0.09 -0.04 1.64 1.94 2kvvA8 LEU 16 HD13 0.27 -0.02 -0.26 -0.04 0.93 0.89 2kvvA8 LEU 16 HD23 0.23 -0.01 -0.02 -0.04 0.89 1.05 2kvvA8 MET 17 H 0.09 0.62 -0.11 -0.55 8.47 8.53 2kvvA8 MET 17 HA 0.11 -0.09 0.40 -0.75 4.52 4.19 2kvvA8 MET 17 HB2 0.06 0.40 0.10 -0.04 2.15 2.68 2kvvA8 MET 17 HB3 0.09 -0.11 -0.00 -0.04 2.03 1.97 2kvvA8 MET 17 HG2 0.03 0.07 0.12 -0.04 2.63 2.81 2kvvA8 MET 17 HG3 0.02 0.07 -0.13 -0.04 2.56 2.49 2kvvA8 MET 17 HE3 0.04 -0.04 -0.20 -0.04 2.10 1.86 2kvvA8 VAL 18 H 0.02 0.19 -0.58 -0.55 8.24 7.33 2kvvA8 VAL 18 HA 0.01 0.07 0.51 -0.75 4.13 3.96 2kvvA8 VAL 18 HB -0.03 0.17 0.17 -0.04 2.12 2.39 2kvvA8 VAL 18 HG13 -0.02 -0.01 -0.06 -0.04 0.97 0.84 2kvvA8 VAL 18 HG23 -0.01 0.06 0.11 -0.04 0.95 1.06 2kvvA8 ARG 19 H -0.00 0.33 -0.05 -0.55 8.46 8.18 2kvvA8 ARG 19 HA -0.06 0.05 0.40 -0.75 4.34 3.98 2kvvA8 ARG 19 HB2 0.01 0.04 0.19 -0.04 1.90 2.09 2kvvA8 ARG 19 HB3 -0.31 -0.03 0.02 -0.04 1.80 1.45 2kvvA8 ARG 19 HG2 -0.14 0.07 0.07 -0.04 1.67 1.62 2kvvA8 ARG 19 HG3 -0.36 -0.07 0.00 -0.04 1.67 1.21 2kvvA8 ARG 19 HD2 -0.65 -0.01 0.02 -0.04 3.22 2.53 2kvvA8 ARG 19 HD3 -0.20 0.03 0.01 -0.04 3.22 3.02 2kvvA8 THR 20 H 0.11 0.47 -0.11 -0.55 8.28 8.20 2kvvA8 THR 20 HA 0.15 0.14 0.51 -0.75 4.39 4.43 2kvvA8 THR 20 HB 0.13 -0.01 -0.02 -0.04 4.32 4.39 2kvvA8 THR 20 HG23 0.20 0.00 -0.06 -0.04 1.22 1.32 2kvvA8 GLY 21 H 0.08 0.35 -0.12 -0.55 8.43 8.18 2kvvA8 GLY 21 HA2 0.05 0.09 0.34 -0.51 4.01 3.97 2kvvA8 GLY 21 HA3 0.06 0.11 0.66 -0.51 4.01 4.33 2kvvA8 LEU 22 H 0.10 -0.03 -0.13 -0.55 8.37 7.77 2kvvA8 LEU 22 HA 0.08 0.13 0.58 -0.75 4.35 4.39 2kvvA8 LEU 22 HB2 0.14 -0.04 -0.02 -0.04 1.64 1.68 2kvvA8 LEU 22 HB3 0.13 -0.05 -0.04 -0.04 1.64 1.64 2kvvA8 LEU 22 HG 0.16 0.01 -0.04 -0.04 1.64 1.73 2kvvA8 LEU 22 HD13 0.11 0.02 -0.23 -0.04 0.93 0.79 2kvvA8 LEU 22 HD23 0.16 -0.01 -0.10 -0.04 0.89 0.90 2kvvA8 GLY 23 H 0.06 0.13 0.17 -0.55 8.43 8.25 2kvvA8 GLY 23 HA2 0.04 0.27 0.90 -0.51 4.01 4.71 2kvvA8 GLY 23 HA3 0.03 0.06 0.34 -0.51 4.01 3.92 2kvvA8 ALA 24 H 0.02 0.27 0.14 -0.55 8.40 8.28 2kvvA8 ALA 24 HA 0.04 0.06 0.31 -0.75 4.34 3.99 2kvvA8 ALA 24 HB3 0.01 0.04 0.09 -0.04 1.41 1.52 2kvvA8 ARG 25 H -0.00 0.11 -0.19 -0.55 8.46 7.82 2kvvA8 ARG 25 HA -0.04 0.11 0.37 -0.75 4.34 4.03 2kvvA8 ARG 25 HB2 -0.03 0.08 0.05 -0.04 1.90 1.96 2kvvA8 ARG 25 HB3 -0.02 0.01 0.07 -0.04 1.80 1.83 2kvvA8 ARG 25 HG2 -0.01 -0.14 -0.02 -0.04 1.67 1.46 2kvvA8 ARG 25 HG3 -0.02 0.07 -0.20 -0.04 1.67 1.48 2kvvA8 ARG 25 HD2 -0.01 0.00 -0.00 -0.04 3.22 3.17 2kvvA8 ARG 25 HD3 -0.01 0.04 -0.03 -0.04 3.22 3.18 2kvvA8 GLN 26 H -0.01 0.20 -0.39 -0.55 8.47 7.71 2kvvA8 GLN 26 HA -0.12 0.17 0.69 -0.75 4.36 4.34 2kvvA8 GLN 26 HB2 0.00 -0.02 0.09 -0.04 2.15 2.18 2kvvA8 GLN 26 HB3 0.06 0.01 0.15 -0.04 2.02 2.20 2kvvA8 GLN 26 HG2 0.12 -0.01 -0.12 -0.04 2.40 2.35 2kvvA8 GLN 26 HG3 -0.05 0.04 0.04 -0.04 2.39 2.38 2kvvA8 GLN 26 HE21 0.53 0.00 -0.06 -0.04 6.97 7.40 2kvvA8 GLN 26 HE22 0.19 0.07 -0.04 -0.04 7.69 7.87 2kvvA8 ILE 27 H -0.00 0.53 0.03 -0.55 8.25 8.25 2kvvA8 ILE 27 HA -0.06 0.06 0.32 -0.75 4.18 3.75 2kvvA8 ILE 27 HB 0.03 0.05 0.09 -0.04 1.89 2.02 2kvvA8 ILE 27 HG12 0.15 0.01 -0.09 -0.04 1.49 1.52 2kvvA8 ILE 27 HG13 0.09 0.18 -0.21 -0.04 1.21 1.22 2kvvA8 ILE 27 HG23 0.07 -0.01 -0.11 -0.04 0.93 0.84 2kvvA8 ILE 27 HD13 0.20 -0.02 -0.18 -0.04 0.88 0.83 2kvvA8 GLU 28 H -0.10 0.51 -0.18 -0.55 8.60 8.29 2kvvA8 GLU 28 HA -0.17 0.03 0.44 -0.75 4.29 3.84 2kvvA8 GLU 28 HB2 -0.09 0.02 0.02 -0.04 2.09 2.00 2kvvA8 GLU 28 HB3 -0.07 -0.01 0.08 -0.04 1.99 1.95 2kvvA8 GLU 28 HG2 -0.08 0.05 0.03 -0.04 2.34 2.30 2kvvA8 GLU 28 HG3 -0.11 0.06 -0.10 -0.04 2.34 2.15 2kvvA8 SER 29 H -0.23 0.24 -0.44 -0.55 8.46 7.48 2kvvA8 SER 29 HA -0.22 0.05 0.42 -0.75 4.49 3.99 2kvvA8 SER 29 HB2 -0.24 0.02 0.16 -0.04 3.95 3.85 2kvvA8 SER 29 HB3 -0.51 0.21 0.14 -0.04 3.93 3.73 2kvvA8 TYR 30 H -0.48 0.30 -0.39 -0.55 8.29 7.17 2kvvA8 TYR 30 HA -0.37 0.11 0.79 -0.75 4.56 4.34 2kvvA8 TYR 30 HB2 -1.48 0.12 0.13 -0.04 3.06 1.79 2kvvA8 TYR 30 HB3 -1.73 -0.08 0.03 -0.04 2.98 1.15 2kvvA8 TYR 30 HD2 -0.24 -0.05 -0.06 -0.04 7.15 6.77 2kvvA8 TYR 30 HE2 0.10 -0.02 -0.08 -0.04 6.85 6.81 2kvvA8 ARG 31 H -0.52 0.47 0.02 -0.55 8.46 7.87 2kvvA8 ARG 31 HA -0.24 -0.01 0.41 -0.75 4.34 3.74 2kvvA8 ARG 31 HB2 -0.21 0.04 0.18 -0.04 1.90 1.87 2kvvA8 ARG 31 HB3 -0.10 0.00 0.04 -0.04 1.80 1.70 2kvvA8 ARG 31 HG2 -0.11 -0.03 -0.02 -0.04 1.67 1.47 2kvvA8 ARG 31 HG3 -0.54 0.12 -0.07 -0.04 1.67 1.14 2kvvA8 ARG 31 HD2 -0.01 0.03 -0.03 -0.04 3.22 3.16 2kvvA8 ARG 31 HD3 0.21 -0.06 -0.07 -0.04 3.22 3.27 2kvvA8 GLN 32 H -0.17 0.24 -0.57 -0.55 8.47 7.43 2kvvA8 GLN 32 HA -0.02 0.08 0.45 -0.75 4.36 4.12 2kvvA8 GLN 32 HB2 -0.04 -0.03 0.10 -0.04 2.15 2.14 2kvvA8 GLN 32 HB3 -0.08 0.01 0.06 -0.04 2.02 1.97 2kvvA8 GLN 32 HG2 -0.14 0.20 -0.06 -0.04 2.40 2.36 2kvvA8 GLN 32 HG3 -0.07 -0.03 -0.23 -0.04 2.39 2.02 2kvvA8 GLN 32 HE21 -0.08 0.02 0.00 -0.04 6.97 6.87 2kvvA8 GLN 32 HE22 -0.08 -0.06 0.02 -0.04 7.69 7.53 2kvvA8 GLY 33 H -0.03 0.19 -0.50 -0.55 8.43 7.54 2kvvA8 GLY 33 HA2 0.04 0.12 0.54 -0.51 4.01 4.19 2kvvA8 GLY 33 HA3 0.02 0.00 0.20 -0.51 4.01 3.72 2kvvA8 ALA 34 H 0.01 0.17 0.20 -0.55 8.40 8.24 2kvvA8 ALA 34 HA 0.03 0.07 0.39 -0.75 4.34 4.07 2kvvA8 ALA 34 HB3 -0.10 -0.01 0.12 -0.04 1.41 1.37 2kvvA8 TRP 35 H 0.29 0.47 -0.08 -0.55 7.97 8.11 2kvvA8 TRP 35 HA -0.06 -0.01 0.45 -0.75 4.62 4.25 2kvvA8 TRP 35 HB2 -0.00 0.03 0.07 -0.04 3.23 3.29 2kvvA8 TRP 35 HB3 0.24 -0.03 -0.13 -0.04 3.23 3.27 2kvvA8 TRP 35 HD1 -0.51 -0.01 -0.12 -0.04 7.22 6.53 2kvvA8 TRP 35 HE1 -1.28 -0.06 -0.09 -0.04 10.20 8.72 2kvvA8 TRP 35 HE3 -0.36 -0.13 -0.64 -0.04 7.59 6.41 2kvvA8 TRP 35 HZ2 -0.24 -0.05 -0.07 -0.04 7.44 7.04 2kvvA8 TRP 35 HZ3 -1.18 0.05 -0.09 -0.04 7.13 5.87 2kvvA8 TRP 35 HH2 -0.36 0.03 -0.05 -0.04 7.19 6.77 2kvvA8 ILE 36 H -0.07 0.17 0.23 -0.55 8.25 8.03 2kvvA8 ILE 36 HA 0.06 0.20 0.81 -0.75 4.18 4.49 2kvvA8 ILE 36 HB -0.11 -0.15 0.17 -0.04 1.89 1.75 2kvvA8 ILE 36 HG12 -0.02 0.08 -0.06 -0.04 1.49 1.45 2kvvA8 ILE 36 HG13 -0.11 0.21 -0.03 -0.04 1.21 1.23 2kvvA8 ILE 36 HG23 -0.06 0.05 -0.00 -0.04 0.93 0.88 2kvvA8 ILE 36 HD13 -0.08 -0.01 0.03 -0.04 0.88 0.78 2kvvA8 GLU 37 H -0.15 0.20 0.13 -0.55 8.60 8.24 2kvvA8 GLU 37 HA -1.53 0.09 0.41 -0.75 4.29 2.51 2kvvA8 GLU 37 HB2 -0.25 -0.02 0.05 -0.04 2.09 1.83 2kvvA8 GLU 37 HB3 -0.20 0.05 0.06 -0.04 1.99 1.86 2kvvA8 GLU 37 HG2 -0.06 0.00 0.11 -0.04 2.34 2.35 2kvvA8 GLU 37 HG3 -0.10 0.01 -0.10 -0.04 2.34 2.11 2kvvA8 GLY 38 H -0.29 0.49 0.31 -0.55 8.43 8.40 2kvvA8 GLY 38 HA2 -0.00 -0.02 0.43 -0.51 4.01 3.91 2kvvA8 GLY 38 HA3 -0.06 0.09 0.57 -0.51 4.01 4.10 2kvvA8 VAL 39 H -0.11 0.42 -0.82 -0.55 8.24 7.18 2kvvA8 VAL 39 HA -0.02 0.10 0.54 -0.75 4.13 4.00 2kvvA8 VAL 39 HB -0.01 -0.04 0.10 -0.04 2.12 2.13 2kvvA8 VAL 39 HG13 0.12 -0.00 -0.09 -0.04 0.97 0.96 2kvvA8 VAL 39 HG23 -0.03 0.03 -0.01 -0.04 0.95 0.90 2kvvA8 HIS 40 H -0.02 0.55 0.17 -0.55 8.41 8.57 2kvvA8 HIS 40 HA -0.24 0.11 0.69 -0.75 4.63 4.43 2kvvA8 HIS 40 HB2 -0.20 -0.03 0.21 -0.04 3.26 3.19 2kvvA8 HIS 40 HB3 -0.65 -0.06 0.01 -0.04 3.20 2.46 2kvvA8 HIS 40 HD2 -0.96 -0.07 -0.11 -0.04 6.97 5.79 2kvvA8 HIS 40 HE1 -0.09 0.01 -0.01 -0.04 7.75 7.61 2kvvA8 PHE 41 H -0.15 0.27 -0.03 -0.55 8.34 7.89 2kvvA8 PHE 41 HA 0.39 0.17 0.57 -0.75 4.62 5.00 2kvvA8 PHE 41 HB2 0.46 0.08 -0.13 -0.04 3.15 3.52 2kvvA8 PHE 41 HB3 0.27 -0.02 -0.28 -0.04 3.06 3.00 2kvvA8 PHE 41 HD2 0.13 0.01 -0.41 -0.04 7.28 6.97 2kvvA8 PHE 41 HE2 0.19 0.14 -0.41 -0.04 7.38 7.25 2kvvA8 PHE 41 HZ 0.15 0.07 -0.13 -0.04 7.32 7.37 2kvvA8 LYS 42 H 0.65 0.58 0.24 -0.55 8.42 9.34 2kvvA8 LYS 42 HA 0.09 0.03 0.81 -0.75 4.32 4.49 2kvvA8 LYS 42 HB2 -0.13 0.01 0.14 -0.04 1.87 1.84 2kvvA8 LYS 42 HB3 0.00 0.05 -0.15 -0.04 1.79 1.65 2kvvA8 LYS 42 HG2 -0.32 -0.03 -0.06 -0.04 1.46 1.01 2kvvA8 LYS 42 HG3 -0.26 0.10 -0.47 -0.04 1.46 0.79 2kvvA8 LYS 42 HD2 -2.11 0.00 -0.07 -0.04 1.69 -0.53 2kvvA8 LYS 42 HD3 -1.14 -0.04 -0.08 -0.04 1.68 0.37 2kvvA8 LYS 42 HE2 -0.36 -0.02 0.02 -0.04 2.99 2.59 2kvvA8 LYS 42 HE3 -0.54 -0.02 -0.00 -0.04 2.99 2.38 2kvvA8 ARG 43 H 0.04 0.12 0.14 -0.55 8.46 8.20 2kvvA8 ARG 43 HA 0.14 0.19 0.62 -0.75 4.34 4.54 2kvvA8 ARG 43 HB2 0.01 -0.00 0.09 -0.04 1.90 1.96 2kvvA8 ARG 43 HB3 0.04 0.00 -0.03 -0.04 1.80 1.78 2kvvA8 ARG 43 HG2 0.15 0.05 -0.04 -0.04 1.67 1.79 2kvvA8 ARG 43 HG3 0.16 -0.09 -0.07 -0.04 1.67 1.63 2kvvA8 ARG 43 HD2 0.09 0.02 -0.02 -0.04 3.22 3.27 2kvvA8 ARG 43 HD3 0.04 -0.00 0.01 -0.04 3.22 3.22 2kvvA8 VAL 44 H 0.05 0.34 0.04 -0.55 8.24 8.12 2kvvA8 VAL 44 HA -0.20 0.14 0.92 -0.75 4.13 4.24 2kvvA8 VAL 44 HB -0.04 0.09 0.06 -0.04 2.12 2.19 2kvvA8 VAL 44 HG13 -0.43 0.04 -0.03 -0.04 0.97 0.51 2kvvA8 VAL 44 HG23 -0.68 -0.01 -0.22 -0.04 0.95 -0.00 2kvvA8 SER 45 H -0.15 0.14 0.15 -0.55 8.46 8.05 2kvvA8 SER 45 HA -0.04 0.14 0.47 -0.75 4.49 4.31 2kvvA8 SER 45 HB2 -0.07 0.06 0.11 -0.04 3.95 4.01 2kvvA8 SER 45 HB3 -0.09 -0.00 0.16 -0.04 3.93 3.95 2kvvA8 PRO 46 HA 0.03 0.11 0.52 -0.51 4.44 4.60 2kvvA8 PRO 46 HB2 0.02 0.09 0.29 -0.04 2.28 2.63 2kvvA8 PRO 46 HB3 0.02 0.03 0.21 -0.04 2.02 2.25 2kvvA8 PRO 46 HG2 0.00 0.01 -0.21 -0.04 2.03 1.79 2kvvA8 PRO 46 HG3 0.01 -0.06 0.15 -0.04 2.03 2.08 2kvvA8 PRO 46 HD2 -0.01 0.10 0.11 -0.04 3.68 3.83 2kvvA8 PRO 46 HD3 0.00 0.17 0.22 -0.04 3.65 4.00 2kvvA8 SER 47 H -0.02 0.08 -0.93 -0.55 8.46 7.05 2kvvA8 SER 47 HA -0.02 0.04 0.29 -0.75 4.49 4.05 2kvvA8 SER 47 HB2 0.01 0.07 0.07 -0.04 3.95 4.06 2kvvA8 SER 47 HB3 0.00 0.02 0.03 -0.04 3.93 3.94 2kvvA8 GLY 48 H 0.00 0.35 0.44 -0.55 8.43 8.68 2kvvA8 GLY 48 HA2 -0.00 0.20 0.84 -0.51 4.01 4.54 2kvvA8 GLY 48 HA3 0.00 0.01 0.27 -0.51 4.01 3.78 2kvvA8 GLU 49 H 0.01 0.28 0.17 -0.55 8.60 8.51 2kvvA8 GLU 49 HA 0.00 0.12 0.69 -0.75 4.29 4.36 2kvvA8 GLU 49 HB2 0.01 0.02 0.24 -0.04 2.09 2.33 2kvvA8 GLU 49 HB3 0.01 0.03 0.01 -0.04 1.99 2.00 2kvvA8 GLU 49 HG2 0.01 0.04 -0.00 -0.04 2.34 2.34 2kvvA8 GLU 49 HG3 0.01 -0.07 0.05 -0.04 2.34 2.29 2kvvA8 LYS 50 H 0.00 0.24 0.12 -0.55 8.42 8.23 2kvvA8 LYS 50 HA 0.00 0.02 0.34 -0.75 4.32 3.93 2kvvA8 LYS 50 HB2 0.00 0.04 0.10 -0.04 1.87 1.97 2kvvA8 LYS 50 HB3 0.00 -0.02 0.19 -0.04 1.79 1.92 2kvvA8 LYS 50 HG2 0.00 0.01 -0.20 -0.04 1.46 1.23 2kvvA8 LYS 50 HG3 0.00 0.01 -0.03 -0.04 1.46 1.40 2kvvA8 LYS 50 HD2 0.00 -0.02 0.00 -0.04 1.69 1.63 2kvvA8 LYS 50 HD3 0.00 0.00 -0.04 -0.04 1.68 1.60 2kvvA8 LYS 50 HE2 -0.00 0.01 -0.01 -0.04 2.99 2.94 2kvvA8 LYS 50 HE3 -0.00 0.01 0.03 -0.04 2.99 2.98 2kvvA8 THR 51 H 0.01 0.19 0.33 -0.55 8.28 8.27 2kvvA8 THR 51 HA 0.01 0.18 0.87 -0.75 4.39 4.70 2kvvA8 THR 51 HB 0.02 -0.12 0.15 -0.04 4.32 4.33 2kvvA8 THR 51 HG23 0.02 0.10 -0.05 -0.04 1.22 1.25 2kvvA8 LEU 52 H 0.01 0.18 0.12 -0.55 8.37 8.14 2kvvA8 LEU 52 HA 0.01 0.21 0.75 -0.75 4.35 4.57 2kvvA8 LEU 52 HB2 0.01 -0.00 0.09 -0.04 1.64 1.69 2kvvA8 LEU 52 HB3 0.02 0.02 0.18 -0.04 1.64 1.82 2kvvA8 LEU 52 HG 0.01 0.01 0.01 -0.04 1.64 1.64 2kvvA8 LEU 52 HD13 0.01 0.03 -0.07 -0.04 0.93 0.85 2kvvA8 LEU 52 HD23 0.01 -0.03 -0.08 -0.04 0.89 0.75 2kvvA8 ARG 53 H 0.02 0.05 -0.43 -0.55 8.46 7.55 2kvvA8 ARG 53 HA 0.04 0.20 0.85 -0.75 4.34 4.67 2kvvA8 ARG 53 HB2 0.03 -0.03 0.11 -0.04 1.90 1.96 2kvvA8 ARG 53 HB3 0.03 0.04 -0.04 -0.04 1.80 1.79 2kvvA8 ARG 53 HG2 0.02 -0.12 -0.25 -0.04 1.67 1.27 2kvvA8 ARG 53 HG3 0.02 0.01 -0.04 -0.04 1.67 1.61 2kvvA8 ARG 53 HD2 0.03 -0.00 -0.02 -0.04 3.22 3.18 2kvvA8 ARG 53 HD3 0.03 0.17 -0.08 -0.04 3.22 3.30 2kvvA8 GLY 54 H 0.05 0.19 -0.02 -0.55 8.43 8.11 2kvvA8 GLY 54 HA2 0.04 0.13 0.53 -0.51 4.01 4.20 2kvvA8 GLY 54 HA3 0.06 -0.00 0.29 -0.51 4.01 3.85 2kvvA8 THR 55 H 0.07 0.35 0.26 -0.55 8.28 8.41 2kvvA8 THR 55 HA 0.11 -0.03 0.34 -0.75 4.39 4.06 2kvvA8 THR 55 HB 0.18 -0.03 0.03 -0.04 4.32 4.45 2kvvA8 THR 55 HG23 0.40 -0.01 -0.14 -0.04 1.22 1.42 2kvvA8 THR 56 H 0.10 0.07 0.20 -0.55 8.28 8.09 2kvvA8 THR 56 HA 0.27 0.32 0.62 -0.75 4.39 4.85 2kvvA8 THR 56 HB -0.03 -0.13 0.19 -0.04 4.32 4.31 2kvvA8 THR 56 HG23 0.04 -0.00 -0.19 -0.04 1.22 1.02 2kvvA8 TRP 57 H 0.48 0.53 0.26 -0.55 7.97 8.70 2kvvA8 TRP 57 HA -0.05 0.06 0.73 -0.75 4.62 4.60 2kvvA8 TRP 57 HB2 0.12 0.05 0.02 -0.04 3.23 3.37 2kvvA8 TRP 57 HB3 0.31 -0.01 -0.16 -0.04 3.23 3.32 2kvvA8 TRP 57 HD1 -0.01 0.02 -0.67 -0.04 7.22 6.52 2kvvA8 TRP 57 HE1 -0.02 0.01 -0.14 -0.04 10.20 10.00 2kvvA8 TRP 57 HE3 0.23 -0.04 -0.54 -0.04 7.59 7.20 2kvvA8 TRP 57 HZ2 -0.00 0.01 -0.04 -0.04 7.44 7.37 2kvvA8 TRP 57 HZ3 0.09 0.15 -0.04 -0.04 7.13 7.29 2kvvA8 TRP 57 HH2 0.02 0.02 -0.01 -0.04 7.19 7.18 2kvvA8 TYR 58 H 0.02 0.62 0.26 -0.55 8.29 8.64 2kvvA8 TYR 58 HA 0.23 0.18 0.78 -0.75 4.56 4.99 2kvvA8 TYR 58 HB2 0.06 0.01 0.03 -0.04 3.06 3.12 2kvvA8 TYR 58 HB3 -0.10 0.06 0.03 -0.04 2.98 2.93 2kvvA8 TYR 58 HD2 0.17 0.01 -0.20 -0.04 7.15 7.09 2kvvA8 TYR 58 HE2 0.08 -0.02 -0.09 -0.04 6.85 6.78 2kvvA8 ASN 59 H -0.06 0.74 0.28 -0.55 8.53 8.95 2kvvA8 ASN 59 HA -0.35 0.25 0.81 -0.75 4.76 4.72 2kvvA8 ASN 59 HB2 -0.43 0.03 0.23 -0.04 2.88 2.66 2kvvA8 ASN 59 HB3 -0.48 -0.11 0.02 -0.04 2.79 2.18 2kvvA8 ASN 59 HD21 -2.68 0.04 -0.17 -0.04 7.03 4.18 2kvvA8 ASN 59 HD22 -1.28 -0.10 -0.15 -0.04 7.74 6.16 2kvvA8 TYR 60 H 0.02 0.72 0.23 -0.55 8.29 8.71 2kvvA8 TYR 60 HA -0.07 -0.00 0.40 -0.75 4.56 4.13 2kvvA8 TYR 60 HB2 -0.02 0.02 0.11 -0.04 3.06 3.13 2kvvA8 TYR 60 HB3 -0.06 0.04 0.20 -0.04 2.98 3.12 2kvvA8 TYR 60 HD2 -0.02 -0.01 -0.00 -0.04 7.15 7.07 2kvvA8 TYR 60 HE2 -0.00 0.05 -0.09 -0.04 6.85 6.76 2kvvA8 PRO 61 HA -0.32 0.08 0.41 -0.51 4.44 4.11 2kvvA8 PRO 61 HB2 -0.18 0.04 0.00 -0.04 2.28 2.10 2kvvA8 PRO 61 HB3 -0.11 0.06 0.09 -0.04 2.02 2.02 2kvvA8 PRO 61 HG2 -0.11 0.14 0.16 -0.04 2.03 2.18 2kvvA8 PRO 61 HG3 -0.02 0.08 0.15 -0.04 2.03 2.20 2kvvA8 PRO 61 HD2 -0.19 0.03 0.02 -0.04 3.68 3.49 2kvvA8 PRO 61 HD3 0.08 0.12 0.24 -0.04 3.65 4.04 2kvvA8 GLU 62 H -0.35 0.17 -0.34 -0.55 8.60 7.53 2kvvA8 GLU 62 HA -0.37 0.08 0.40 -0.75 4.29 3.65 2kvvA8 GLU 62 HB2 -0.65 0.10 0.20 -0.04 2.09 1.70 2kvvA8 GLU 62 HB3 -1.61 -0.03 0.01 -0.04 1.99 0.33 2kvvA8 GLU 62 HG2 -0.35 -0.12 0.01 -0.04 2.34 1.84 2kvvA8 GLU 62 HG3 -0.38 0.39 0.08 -0.04 2.34 2.39 2kvvA8 ILE 63 H -0.40 0.49 -0.06 -0.55 8.25 7.73 2kvvA8 ILE 63 HA -0.24 0.09 0.65 -0.75 4.18 3.93 2kvvA8 ILE 63 HB -0.15 0.06 0.12 -0.04 1.89 1.88 2kvvA8 ILE 63 HG12 -1.15 -0.02 -0.02 -0.04 1.49 0.26 2kvvA8 ILE 63 HG13 -0.54 0.18 0.05 -0.04 1.21 0.86 2kvvA8 ILE 63 HG23 0.10 -0.01 -0.10 -0.04 0.93 0.88 2kvvA8 ILE 63 HD13 -0.29 -0.02 -0.08 -0.04 0.88 0.44 2kvvA8 ASN 64 H -0.35 0.72 0.07 -0.55 8.53 8.43 2kvvA8 ASN 64 HA -0.13 0.04 0.49 -0.75 4.76 4.41 2kvvA8 ASN 64 HB2 -0.79 0.01 0.09 -0.04 2.88 2.15 2kvvA8 ASN 64 HB3 -0.48 0.04 0.14 -0.04 2.79 2.45 2kvvA8 ASN 64 HD21 -0.10 0.02 0.03 -0.04 7.03 6.93 2kvvA8 ASN 64 HD22 -0.04 0.01 0.01 -0.04 7.74 7.67 2kvvA8 LYS 65 H -0.19 0.54 -0.20 -0.55 8.42 8.02 2kvvA8 LYS 65 HA -0.06 0.02 0.49 -0.75 4.32 4.02 2kvvA8 LYS 65 HB2 -0.10 0.08 0.15 -0.04 1.87 1.96 2kvvA8 LYS 65 HB3 -0.09 0.10 0.16 -0.04 1.79 1.91 2kvvA8 LYS 65 HG2 0.02 -0.01 -0.20 -0.04 1.46 1.22 2kvvA8 LYS 65 HG3 -0.02 -0.03 0.03 -0.04 1.46 1.40 2kvvA8 LYS 65 HD2 -0.02 0.02 -0.02 -0.04 1.69 1.63 2kvvA8 LYS 65 HD3 0.00 -0.02 -0.03 -0.04 1.68 1.59 2kvvA8 LYS 65 HE2 -0.03 -0.02 -0.02 -0.04 2.99 2.89 2kvvA8 LYS 65 HE3 -0.08 0.05 -0.06 -0.04 2.99 2.86 2kvvA8 PHE 66 H 0.08 0.35 -0.33 -0.55 8.34 7.89 2kvvA8 PHE 66 HA 0.03 0.02 0.41 -0.75 4.62 4.32 2kvvA8 PHE 66 HB2 0.18 0.08 0.18 -0.04 3.15 3.55 2kvvA8 PHE 66 HB3 -0.00 0.12 0.23 -0.04 3.06 3.36 2kvvA8 PHE 66 HD2 0.03 0.02 -0.04 -0.04 7.28 7.25 2kvvA8 PHE 66 HE2 -0.18 -0.00 -0.03 -0.04 7.38 7.12 2kvvA8 PHE 66 HZ 0.15 -0.00 -0.01 -0.04 7.32 7.41 2kvvA8 ILE 67 H 0.07 0.61 -0.13 -0.55 8.25 8.25 2kvvA8 ILE 67 HA -0.15 -0.01 0.44 -0.75 4.18 3.71 2kvvA8 ILE 67 HB -0.02 0.13 0.18 -0.04 1.89 2.13 2kvvA8 ILE 67 HG12 0.06 -0.06 0.01 -0.04 1.49 1.46 2kvvA8 ILE 67 HG13 0.11 0.26 0.09 -0.04 1.21 1.62 2kvvA8 ILE 67 HG23 -0.01 -0.01 -0.08 -0.04 0.93 0.80 2kvvA8 ILE 67 HD13 0.06 -0.02 -0.03 -0.04 0.88 0.84 2kvvA8 ARG 68 H -0.06 0.58 -0.13 -0.55 8.46 8.31 2kvvA8 ARG 68 HA -0.04 -0.02 0.40 -0.75 4.34 3.93 2kvvA8 ARG 68 HB2 -0.04 0.04 0.16 -0.04 1.90 2.02 2kvvA8 ARG 68 HB3 -0.04 0.11 0.20 -0.04 1.80 2.03 2kvvA8 ARG 68 HG2 -0.01 -0.04 0.06 -0.04 1.67 1.64 2kvvA8 ARG 68 HG3 -0.01 -0.06 0.03 -0.04 1.67 1.59 2kvvA8 ARG 68 HD2 -0.02 0.00 -0.17 -0.04 3.22 3.00 2kvvA8 ARG 68 HD3 -0.02 0.12 -0.22 -0.04 3.22 3.05 2kvvA8 ASP 69 H -0.08 0.61 -0.14 -0.55 8.40 8.24 2kvvA8 ASP 69 HA -0.05 0.09 0.18 -0.75 4.63 4.11 2kvvA8 ASP 69 HB2 -0.03 0.05 0.09 -0.04 2.71 2.78 2kvvA8 ASP 69 HB3 -0.09 0.03 0.05 -0.04 2.70 2.65 2kvvA8 SER 70 H -0.28 0.59 -0.16 -0.55 8.46 8.06 2kvvA8 SER 70 HA -0.17 -0.01 0.43 -0.75 4.49 3.98 2kvvA8 SER 70 HB2 -0.77 -0.02 0.10 -0.04 3.95 3.21 2kvvA8 SER 70 HB3 -0.36 0.03 0.17 -0.04 3.93 3.74 2kvvA8 LEU 71 H -0.13 0.66 -0.06 -0.55 8.37 8.29 2kvvA8 LEU 71 HA -0.07 -0.03 0.46 -0.75 4.35 3.96 2kvvA8 LEU 71 HB2 -0.06 0.19 0.17 -0.04 1.64 1.90 2kvvA8 LEU 71 HB3 -0.04 -0.07 -0.00 -0.04 1.64 1.49 2kvvA8 LEU 71 HG -0.02 -0.05 0.01 -0.04 1.64 1.54 2kvvA8 LEU 71 HD13 -0.02 -0.02 0.03 -0.04 0.93 0.89 2kvvA8 LEU 71 HD23 -0.05 0.03 0.03 -0.04 0.89 0.86 2kvvA8 GLU 72 H -0.12 0.60 -0.23 -0.55 8.60 8.30 2kvvA8 GLU 72 HA -0.44 0.04 0.40 -0.75 4.29 3.53 2kvvA8 GLU 72 HB2 -0.76 -0.11 0.05 -0.04 2.09 1.23 2kvvA8 GLU 72 HB3 -0.17 0.13 -0.01 -0.04 1.99 1.91 2kvvA8 GLU 72 HG2 -0.02 -0.01 -0.07 -0.04 2.34 2.19 2kvvA8 GLU 72 HG3 -0.06 0.07 0.22 -0.04 2.34 2.53 2kvvA8 HIS 73 H -0.55 0.18 0.04 -0.55 8.41 7.54 2kvvA8 HIS 73 HA -0.14 0.14 0.78 -0.75 4.63 4.66 2kvvA8 HIS 73 HB2 -0.13 -0.07 0.18 -0.04 3.26 3.21 2kvvA8 HIS 73 HB3 -0.13 0.12 0.15 -0.04 3.20 3.30 2kvvA8 HIS 73 HD2 -0.12 0.15 0.06 -0.04 6.97 7.01 2kvvA8 HIS 73 HE1 -0.07 -0.04 0.01 -0.04 7.75 7.61 2kvvA8 HIS 74 H -0.22 0.44 -0.62 -0.55 8.41 7.46 2kvvA8 HIS 74 HA -0.19 0.10 0.67 -0.75 4.63 4.45 2kvvA8 HIS 74 HB2 -0.11 0.05 0.01 -0.04 3.26 3.17 2kvvA8 HIS 74 HB3 -0.39 -0.05 -0.05 -0.04 3.20 2.66 2kvvA8 HIS 74 HD2 -0.18 0.03 -0.09 -0.04 6.97 6.68 2kvvA8 HIS 74 HE1 -0.05 0.03 0.00 -0.04 7.75 7.70 2kvvA8 HIS 75 H 0.15 0.17 0.05 -0.55 8.41 8.24 2kvvA8 HIS 75 HA 0.00 0.22 0.85 -0.75 4.63 4.95 2kvvA8 HIS 75 HB2 0.06 -0.07 0.04 -0.04 3.26 3.25 2kvvA8 HIS 75 HB3 0.03 0.13 -0.10 -0.04 3.20 3.22 2kvvA8 HIS 75 HD2 0.03 0.04 0.01 -0.04 6.97 7.00 2kvvA8 HIS 75 HE1 0.09 0.04 0.05 -0.04 7.75 7.90 2kvvA8 HIS 76 H 0.08 0.26 -0.06 -0.55 8.41 8.14 2kvvA8 HIS 76 HA 0.06 0.11 0.59 -0.75 4.63 4.64 2kvvA8 HIS 76 HB2 0.07 0.02 0.18 -0.04 3.26 3.49 2kvvA8 HIS 76 HB3 0.04 0.04 0.08 -0.04 3.20 3.32 2kvvA8 HIS 76 HD2 -0.01 0.03 -0.04 -0.04 6.97 6.91 2kvvA8 HIS 76 HE1 0.03 0.04 -0.04 -0.04 7.75 7.72 2kvvA8 HIS 77 H 0.05 0.34 0.14 -0.55 8.41 8.41 2kvvA8 HIS 77 HA 0.02 0.06 0.31 -0.75 4.63 4.27 2kvvA8 HIS 77 HB2 0.05 0.25 0.09 -0.04 3.26 3.61 2kvvA8 HIS 77 HB3 0.04 -0.10 -0.17 -0.04 3.20 2.93 2kvvA8 HIS 77 HD2 0.02 0.02 0.05 -0.04 6.97 7.02 2kvvA8 HIS 77 HE1 0.02 -0.02 -0.04 -0.04 7.75 7.67 2kvvA8 HIS 78 H 0.03 0.14 -0.01 -0.55 8.41 8.02 2kvvA8 HIS 78 HA -0.12 0.25 0.71 -0.75 4.63 4.72 2kvvA8 HIS 78 HB2 0.01 0.02 -0.03 -0.04 3.26 3.22 2kvvA8 HIS 78 HB3 -0.26 0.02 0.08 -0.04 3.20 2.99 2kvvA8 HIS 78 HD2 -0.00 0.01 0.02 -0.04 6.97 6.95 2kvvA8 HIS 78 HE1 0.01 -0.00 0.02 -0.04 7.75 7.73