============================================================================= 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 10.266 -16.122 1.591 -99.200 -91.000 TRP 10 1.040 11.541 -23.925 10.683 -99.200 -91.000 TRP6 10 1.020 11.655 -25.599 9.028 -99.200 -91.000 TYR 30 0.840 0.578 -38.734 9.415 -99.200 -91.000 TRP 35 1.040 7.407 -35.215 9.659 -99.200 -91.000 TRP6 35 1.020 5.095 -34.970 9.234 -99.200 -91.000 HIS 40 0.900 6.357 -31.672 3.948 -99.200 -91.000 PHE 41 1.000 12.735 -34.311 8.354 -99.200 -91.000 TRP 57 1.040 14.066 -27.562 16.194 -99.200 -91.000 TRP6 57 1.020 12.907 -26.728 18.069 -99.200 -91.000 TYR 58 0.840 8.638 -33.205 13.719 -99.200 -91.000 TYR 60 0.840 1.008 -25.439 12.525 -99.200 -91.000 PHE 66 1.000 0.068 -35.637 5.840 -99.200 -91.000 HIS 73 0.900 -8.957 -37.117 0.406 -99.200 -91.000 HIS 74 0.900 -9.902 -38.776 4.621 -99.200 -91.000 HIS 75 0.900 -16.739 -34.841 5.004 -99.200 -91.000 HIS 76 0.900 -10.515 -33.116 13.127 -99.200 -91.000 HIS 77 0.900 -18.779 -34.604 14.736 -99.200 -91.000 HIS 78 0.900 -15.139 -32.111 19.587 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2kvvA14 MET 1 HA 0.00 -0.05 0.17 -0.75 4.52 3.89 2kvvA14 MET 1 HB2 0.00 -0.01 -0.04 -0.04 2.15 2.06 2kvvA14 MET 1 HB3 0.00 -0.03 0.08 -0.04 2.03 2.04 2kvvA14 MET 1 HG2 0.00 0.00 0.02 -0.04 2.63 2.61 2kvvA14 MET 1 HG3 0.00 -0.01 0.05 -0.04 2.56 2.56 2kvvA14 MET 1 HE3 0.00 -0.00 0.01 -0.04 2.10 2.07 2kvvA14 ALA 2 H 0.01 0.19 0.14 -0.55 8.40 8.19 2kvvA14 ALA 2 HA 0.01 0.16 0.66 -0.75 4.34 4.42 2kvvA14 ALA 2 HB3 0.01 0.01 -0.05 -0.04 1.41 1.34 2kvvA14 GLN 3 H 0.02 0.23 0.07 -0.55 8.47 8.24 2kvvA14 GLN 3 HA 0.02 0.09 0.69 -0.75 4.36 4.41 2kvvA14 GLN 3 HB2 0.00 0.00 -0.06 -0.04 2.15 2.05 2kvvA14 GLN 3 HB3 0.01 0.11 -0.15 -0.04 2.02 1.94 2kvvA14 GLN 3 HG2 0.00 -0.03 -0.10 -0.04 2.40 2.23 2kvvA14 GLN 3 HG3 -0.00 -0.01 0.07 -0.04 2.39 2.41 2kvvA14 GLN 3 HE21 -0.01 -0.01 -0.01 -0.04 6.97 6.90 2kvvA14 GLN 3 HE22 -0.01 0.01 -0.03 -0.04 7.69 7.61 2kvvA14 ILE 4 H 0.04 0.19 0.07 -0.55 8.25 8.01 2kvvA14 ILE 4 HA 0.10 0.16 0.88 -0.75 4.18 4.58 2kvvA14 ILE 4 HB 0.09 0.00 0.17 -0.04 1.89 2.11 2kvvA14 ILE 4 HG12 0.05 -0.07 -0.13 -0.04 1.49 1.30 2kvvA14 ILE 4 HG13 0.06 0.02 -0.03 -0.04 1.21 1.22 2kvvA14 ILE 4 HG23 0.30 0.00 -0.14 -0.04 0.93 1.05 2kvvA14 ILE 4 HD13 0.09 0.04 -0.08 -0.04 0.88 0.89 2kvvA14 ILE 5 H -0.03 0.23 0.06 -0.55 8.25 7.96 2kvvA14 ILE 5 HA -0.03 0.13 0.66 -0.75 4.18 4.18 2kvvA14 ILE 5 HB -0.20 0.00 0.19 -0.04 1.89 1.84 2kvvA14 ILE 5 HG12 -0.06 0.01 -0.02 -0.04 1.49 1.38 2kvvA14 ILE 5 HG13 -0.04 0.02 -0.11 -0.04 1.21 1.04 2kvvA14 ILE 5 HG23 -0.14 -0.00 -0.09 -0.04 0.93 0.66 2kvvA14 ILE 5 HD13 -0.03 -0.04 -0.18 -0.04 0.88 0.59 2kvvA14 PHE 6 H 0.10 0.38 0.21 -0.55 8.34 8.47 2kvvA14 PHE 6 HA -0.01 0.12 0.57 -0.75 4.62 4.55 2kvvA14 PHE 6 HB2 0.01 -0.01 -0.12 -0.04 3.15 3.00 2kvvA14 PHE 6 HB3 0.01 -0.02 -0.06 -0.04 3.06 2.95 2kvvA14 PHE 6 HD2 0.00 -0.08 -0.20 -0.04 7.28 6.97 2kvvA14 PHE 6 HE2 0.00 -0.03 -0.02 -0.04 7.38 7.29 2kvvA14 PHE 6 HZ 0.00 -0.01 -0.01 -0.04 7.32 7.26 2kvvA14 ASN 7 H 0.15 0.23 0.10 -0.55 8.53 8.46 2kvvA14 ASN 7 HA 0.07 0.14 0.73 -0.75 4.76 4.94 2kvvA14 ASN 7 HB2 0.01 0.02 0.00 -0.04 2.88 2.88 2kvvA14 ASN 7 HB3 0.02 0.07 -0.09 -0.04 2.79 2.75 2kvvA14 ASN 7 HD21 -0.01 -0.02 -0.18 -0.04 7.03 6.77 2kvvA14 ASN 7 HD22 -0.03 0.03 -0.02 -0.04 7.74 7.69 2kvvA14 GLU 8 H 0.04 0.23 0.13 -0.55 8.60 8.46 2kvvA14 GLU 8 HA -0.17 0.17 0.94 -0.75 4.29 4.48 2kvvA14 GLU 8 HB2 0.20 0.01 0.04 -0.04 2.09 2.31 2kvvA14 GLU 8 HB3 0.00 -0.01 -0.01 -0.04 1.99 1.93 2kvvA14 GLU 8 HG2 0.08 0.09 -0.13 -0.04 2.34 2.33 2kvvA14 GLU 8 HG3 0.13 -0.07 -0.28 -0.04 2.34 2.08 2kvvA14 GLU 9 H -0.44 0.17 0.08 -0.55 8.60 7.86 2kvvA14 GLU 9 HA -0.05 0.20 0.81 -0.75 4.29 4.49 2kvvA14 GLU 9 HB2 0.00 -0.09 0.21 -0.04 2.09 2.17 2kvvA14 GLU 9 HB3 -0.05 0.04 0.05 -0.04 1.99 1.99 2kvvA14 GLU 9 HG2 -0.03 0.10 -0.05 -0.04 2.34 2.32 2kvvA14 GLU 9 HG3 -0.03 -0.07 -0.43 -0.04 2.34 1.77 2kvvA14 TRP 10 H 0.16 0.21 -0.00 -0.55 7.97 7.79 2kvvA14 TRP 10 HA 0.17 0.47 0.84 -0.75 4.62 5.35 2kvvA14 TRP 10 HB2 -0.15 0.00 0.08 -0.04 3.23 3.13 2kvvA14 TRP 10 HB3 0.19 -0.02 -0.14 -0.04 3.23 3.21 2kvvA14 TRP 10 HD1 -0.08 0.03 -0.11 -0.04 7.22 7.02 2kvvA14 TRP 10 HE1 -0.04 0.02 -0.08 -0.04 10.20 10.06 2kvvA14 TRP 10 HE3 0.20 0.12 -0.48 -0.04 7.59 7.39 2kvvA14 TRP 10 HZ2 -0.03 0.02 -0.05 -0.04 7.44 7.34 2kvvA14 TRP 10 HZ3 0.07 -0.13 -0.38 -0.04 7.13 6.65 2kvvA14 TRP 10 HH2 -0.03 0.37 -0.06 -0.04 7.19 7.42 2kvvA14 MET 11 H 0.38 0.64 0.31 -0.55 8.47 9.26 2kvvA14 MET 11 HA 0.65 0.17 0.92 -0.75 4.52 5.50 2kvvA14 MET 11 HB2 0.15 -0.07 0.01 -0.04 2.15 2.20 2kvvA14 MET 11 HB3 0.17 0.06 -0.21 -0.04 2.03 2.01 2kvvA14 MET 11 HG2 0.20 0.09 0.00 -0.04 2.63 2.88 2kvvA14 MET 11 HG3 0.22 -0.02 -0.13 -0.04 2.56 2.59 2kvvA14 MET 11 HE3 -0.22 0.01 -0.11 -0.04 2.10 1.75 2kvvA14 VAL 12 H -0.00 0.13 0.16 -0.55 8.24 7.98 2kvvA14 VAL 12 HA -0.65 0.29 0.63 -0.75 4.13 3.65 2kvvA14 VAL 12 HB -0.38 -0.07 0.19 -0.04 2.12 1.82 2kvvA14 VAL 12 HG13 -1.14 0.07 -0.01 -0.04 0.97 -0.16 2kvvA14 VAL 12 HG23 -0.16 -0.05 -0.00 -0.04 0.95 0.69 2kvvA14 GLU 13 H -0.26 0.24 0.19 -0.55 8.60 8.23 2kvvA14 GLU 13 HA 0.36 0.11 0.33 -0.75 4.29 4.34 2kvvA14 GLU 13 HB2 0.17 0.10 0.16 -0.04 2.09 2.48 2kvvA14 GLU 13 HB3 0.00 -0.05 0.18 -0.04 1.99 2.08 2kvvA14 GLU 13 HG2 0.06 -0.02 -0.23 -0.04 2.34 2.11 2kvvA14 GLU 13 HG3 0.12 0.01 0.01 -0.04 2.34 2.43 2kvvA14 LYS 14 H -0.03 0.12 -0.04 -0.55 8.42 7.91 2kvvA14 LYS 14 HA 0.02 0.08 0.33 -0.75 4.32 3.99 2kvvA14 LYS 14 HB2 -0.02 0.01 0.11 -0.04 1.87 1.93 2kvvA14 LYS 14 HB3 -0.02 -0.01 0.04 -0.04 1.79 1.75 2kvvA14 LYS 14 HG2 0.01 0.00 0.06 -0.04 1.46 1.49 2kvvA14 LYS 14 HG3 -0.01 0.04 0.01 -0.04 1.46 1.46 2kvvA14 LYS 14 HD2 0.01 0.01 -0.46 -0.04 1.69 1.21 2kvvA14 LYS 14 HD3 0.01 0.05 -0.06 -0.04 1.68 1.63 2kvvA14 LYS 14 HE2 -0.00 0.03 -0.04 -0.04 2.99 2.94 2kvvA14 LYS 14 HE3 -0.01 -0.08 -0.09 -0.04 2.99 2.77 2kvvA14 ALA 15 H 0.00 0.03 -0.35 -0.55 8.40 7.54 2kvvA14 ALA 15 HA 0.03 0.13 0.52 -0.75 4.34 4.26 2kvvA14 ALA 15 HB3 0.05 0.02 0.05 -0.04 1.41 1.49 2kvvA14 LEU 16 H 0.11 0.52 -0.17 -0.55 8.37 8.29 2kvvA14 LEU 16 HA 0.19 0.04 0.27 -0.75 4.35 4.09 2kvvA14 LEU 16 HB2 0.34 0.13 -0.08 -0.04 1.64 1.98 2kvvA14 LEU 16 HB3 0.33 0.02 0.07 -0.04 1.64 2.01 2kvvA14 LEU 16 HG 0.62 -0.00 -0.09 -0.04 1.64 2.13 2kvvA14 LEU 16 HD13 0.34 -0.02 -0.24 -0.04 0.93 0.96 2kvvA14 LEU 16 HD23 0.38 -0.00 -0.05 -0.04 0.89 1.18 2kvvA14 MET 17 H 0.13 0.60 -0.10 -0.55 8.47 8.55 2kvvA14 MET 17 HA 0.12 -0.08 0.28 -0.75 4.52 4.09 2kvvA14 MET 17 HB2 0.06 0.30 -0.05 -0.04 2.15 2.41 2kvvA14 MET 17 HB3 0.07 -0.10 -0.10 -0.04 2.03 1.86 2kvvA14 MET 17 HG2 0.06 0.16 0.10 -0.04 2.63 2.90 2kvvA14 MET 17 HG3 0.05 0.08 -0.12 -0.04 2.56 2.52 2kvvA14 MET 17 HE3 0.02 -0.05 -0.11 -0.04 2.10 1.92 2kvvA14 VAL 18 H 0.07 0.23 -0.46 -0.55 8.24 7.53 2kvvA14 VAL 18 HA 0.05 0.10 0.48 -0.75 4.13 4.00 2kvvA14 VAL 18 HB 0.03 0.09 0.13 -0.04 2.12 2.33 2kvvA14 VAL 18 HG13 0.02 -0.01 -0.03 -0.04 0.97 0.92 2kvvA14 VAL 18 HG23 0.03 0.04 0.07 -0.04 0.95 1.05 2kvvA14 ARG 19 H 0.07 0.43 -0.04 -0.55 8.46 8.36 2kvvA14 ARG 19 HA 0.02 0.07 0.43 -0.75 4.34 4.10 2kvvA14 ARG 19 HB2 0.02 0.00 0.08 -0.04 1.90 1.96 2kvvA14 ARG 19 HB3 -0.30 -0.04 0.04 -0.04 1.80 1.46 2kvvA14 ARG 19 HG2 -0.03 0.10 0.05 -0.04 1.67 1.76 2kvvA14 ARG 19 HG3 -0.14 -0.10 -0.06 -0.04 1.67 1.32 2kvvA14 ARG 19 HD2 -0.09 -0.05 -0.02 -0.04 3.22 3.03 2kvvA14 ARG 19 HD3 -0.22 -0.01 0.00 -0.04 3.22 2.95 2kvvA14 THR 20 H 0.15 0.28 -0.31 -0.55 8.28 7.85 2kvvA14 THR 20 HA 0.19 0.19 0.84 -0.75 4.39 4.85 2kvvA14 THR 20 HB 0.13 -0.02 -0.01 -0.04 4.32 4.38 2kvvA14 THR 20 HG23 0.28 -0.01 -0.11 -0.04 1.22 1.35 2kvvA14 GLY 21 H 0.09 0.35 -0.03 -0.55 8.43 8.29 2kvvA14 GLY 21 HA2 0.06 0.04 0.37 -0.51 4.01 3.96 2kvvA14 GLY 21 HA3 0.05 0.15 0.78 -0.51 4.01 4.48 2kvvA14 LEU 22 H 0.10 -0.02 -0.07 -0.55 8.37 7.83 2kvvA14 LEU 22 HA 0.07 0.13 0.52 -0.75 4.35 4.31 2kvvA14 LEU 22 HB2 0.14 -0.03 -0.01 -0.04 1.64 1.70 2kvvA14 LEU 22 HB3 0.10 -0.08 0.05 -0.04 1.64 1.67 2kvvA14 LEU 22 HG 0.19 0.01 -0.04 -0.04 1.64 1.76 2kvvA14 LEU 22 HD13 0.09 0.02 -0.23 -0.04 0.93 0.77 2kvvA14 LEU 22 HD23 0.32 -0.01 -0.10 -0.04 0.89 1.07 2kvvA14 GLY 23 H 0.03 0.11 0.16 -0.55 8.43 8.18 2kvvA14 GLY 23 HA2 0.02 0.30 0.90 -0.51 4.01 4.72 2kvvA14 GLY 23 HA3 0.00 0.06 0.33 -0.51 4.01 3.89 2kvvA14 ALA 24 H -0.01 0.27 0.14 -0.55 8.40 8.26 2kvvA14 ALA 24 HA -0.02 0.06 0.35 -0.75 4.34 3.98 2kvvA14 ALA 24 HB3 -0.02 0.04 0.11 -0.04 1.41 1.49 2kvvA14 ARG 25 H -0.05 0.13 -0.13 -0.55 8.46 7.86 2kvvA14 ARG 25 HA -0.10 0.10 0.33 -0.75 4.34 3.92 2kvvA14 ARG 25 HB2 -0.08 0.08 0.05 -0.04 1.90 1.91 2kvvA14 ARG 25 HB3 -0.05 0.02 0.08 -0.04 1.80 1.80 2kvvA14 ARG 25 HG2 -0.04 -0.12 -0.01 -0.04 1.67 1.45 2kvvA14 ARG 25 HG3 -0.08 0.07 -0.24 -0.04 1.67 1.37 2kvvA14 ARG 25 HD2 -0.05 0.05 -0.05 -0.04 3.22 3.13 2kvvA14 ARG 25 HD3 -0.03 0.01 -0.01 -0.04 3.22 3.15 2kvvA14 GLN 26 H -0.10 0.13 -0.55 -0.55 8.47 7.40 2kvvA14 GLN 26 HA -0.32 0.16 0.58 -0.75 4.36 4.03 2kvvA14 GLN 26 HB2 -0.08 -0.03 0.07 -0.04 2.15 2.08 2kvvA14 GLN 26 HB3 -0.05 -0.01 0.15 -0.04 2.02 2.07 2kvvA14 GLN 26 HG2 -0.16 0.01 -0.08 -0.04 2.40 2.13 2kvvA14 GLN 26 HG3 -0.19 0.04 0.04 -0.04 2.39 2.24 2kvvA14 GLN 26 HE21 0.45 0.00 -0.05 -0.04 6.97 7.33 2kvvA14 GLN 26 HE22 0.13 0.08 -0.04 -0.04 7.69 7.81 2kvvA14 ILE 27 H -0.13 0.52 0.03 -0.55 8.25 8.13 2kvvA14 ILE 27 HA -0.22 0.07 0.41 -0.75 4.18 3.68 2kvvA14 ILE 27 HB -0.09 0.04 0.14 -0.04 1.89 1.94 2kvvA14 ILE 27 HG12 0.11 0.02 -0.08 -0.04 1.49 1.50 2kvvA14 ILE 27 HG13 0.02 0.18 -0.08 -0.04 1.21 1.28 2kvvA14 ILE 27 HG23 -0.13 -0.01 -0.13 -0.04 0.93 0.62 2kvvA14 ILE 27 HD13 0.14 -0.03 -0.13 -0.04 0.88 0.82 2kvvA14 GLU 28 H -0.21 0.52 -0.03 -0.55 8.60 8.32 2kvvA14 GLU 28 HA -0.30 0.03 0.34 -0.75 4.29 3.60 2kvvA14 GLU 28 HB2 -0.15 0.03 0.01 -0.04 2.09 1.94 2kvvA14 GLU 28 HB3 -0.14 -0.03 0.08 -0.04 1.99 1.87 2kvvA14 GLU 28 HG2 -0.16 0.11 0.10 -0.04 2.34 2.36 2kvvA14 GLU 28 HG3 -0.17 0.10 -0.12 -0.04 2.34 2.11 2kvvA14 SER 29 H -0.35 0.19 -0.60 -0.55 8.46 7.15 2kvvA14 SER 29 HA -0.22 0.06 0.45 -0.75 4.49 4.02 2kvvA14 SER 29 HB2 -0.28 0.10 0.16 -0.04 3.95 3.90 2kvvA14 SER 29 HB3 -0.63 0.19 0.16 -0.04 3.93 3.61 2kvvA14 TYR 30 H -0.69 0.42 -0.15 -0.55 8.29 7.32 2kvvA14 TYR 30 HA -0.29 0.04 0.53 -0.75 4.56 4.08 2kvvA14 TYR 30 HB2 -1.45 0.13 0.13 -0.04 3.06 1.83 2kvvA14 TYR 30 HB3 -0.86 -0.08 0.07 -0.04 2.98 2.06 2kvvA14 TYR 30 HD2 -0.25 -0.06 -0.02 -0.04 7.15 6.78 2kvvA14 TYR 30 HE2 0.12 -0.04 -0.08 -0.04 6.85 6.81 2kvvA14 ARG 31 H -0.63 0.42 -0.28 -0.55 8.46 7.42 2kvvA14 ARG 31 HA -0.43 -0.02 0.41 -0.75 4.34 3.54 2kvvA14 ARG 31 HB2 -0.34 0.18 0.07 -0.04 1.90 1.78 2kvvA14 ARG 31 HB3 -0.29 -0.02 0.06 -0.04 1.80 1.51 2kvvA14 ARG 31 HG2 -1.28 -0.05 -0.05 -0.04 1.67 0.25 2kvvA14 ARG 31 HG3 -0.86 0.20 -0.12 -0.04 1.67 0.86 2kvvA14 ARG 31 HD2 -0.19 0.02 -0.04 -0.04 3.22 2.96 2kvvA14 ARG 31 HD3 -0.24 -0.08 -0.08 -0.04 3.22 2.78 2kvvA14 GLN 32 H -0.19 0.27 -0.74 -0.55 8.47 7.27 2kvvA14 GLN 32 HA -0.05 0.09 0.60 -0.75 4.36 4.25 2kvvA14 GLN 32 HB2 -0.07 0.15 0.09 -0.04 2.15 2.28 2kvvA14 GLN 32 HB3 -0.04 -0.06 0.13 -0.04 2.02 2.01 2kvvA14 GLN 32 HG2 -0.09 -0.06 -0.01 -0.04 2.40 2.20 2kvvA14 GLN 32 HG3 -0.15 0.23 0.10 -0.04 2.39 2.54 2kvvA14 GLN 32 HE21 -0.08 -0.02 -0.04 -0.04 6.97 6.79 2kvvA14 GLN 32 HE22 -0.07 -0.04 -0.02 -0.04 7.69 7.52 2kvvA14 GLY 33 H -0.01 0.22 -0.28 -0.55 8.43 7.82 2kvvA14 GLY 33 HA2 0.06 0.12 0.55 -0.51 4.01 4.23 2kvvA14 GLY 33 HA3 0.05 -0.01 0.25 -0.51 4.01 3.79 2kvvA14 ALA 34 H 0.07 0.13 0.26 -0.55 8.40 8.31 2kvvA14 ALA 34 HA 0.06 0.06 0.40 -0.75 4.34 4.10 2kvvA14 ALA 34 HB3 -0.05 -0.02 0.13 -0.04 1.41 1.42 2kvvA14 TRP 35 H 0.36 0.38 -0.08 -0.55 7.97 8.08 2kvvA14 TRP 35 HA -0.04 0.02 0.49 -0.75 4.62 4.34 2kvvA14 TRP 35 HB2 -0.02 0.03 0.02 -0.04 3.23 3.22 2kvvA14 TRP 35 HB3 0.35 -0.02 -0.19 -0.04 3.23 3.32 2kvvA14 TRP 35 HD1 -0.51 -0.00 -0.13 -0.04 7.22 6.54 2kvvA14 TRP 35 HE1 -1.73 -0.06 -0.07 -0.04 10.20 8.30 2kvvA14 TRP 35 HE3 -0.31 -0.13 -0.56 -0.04 7.59 6.54 2kvvA14 TRP 35 HZ2 -0.17 -0.05 -0.07 -0.04 7.44 7.12 2kvvA14 TRP 35 HZ3 -1.08 0.03 -0.09 -0.04 7.13 5.95 2kvvA14 TRP 35 HH2 -0.25 0.00 -0.05 -0.04 7.19 6.86 2kvvA14 ILE 36 H 0.14 0.06 0.07 -0.55 8.25 7.98 2kvvA14 ILE 36 HA 0.06 0.22 0.83 -0.75 4.18 4.53 2kvvA14 ILE 36 HB 0.03 -0.17 0.08 -0.04 1.89 1.79 2kvvA14 ILE 36 HG12 0.01 0.11 -0.13 -0.04 1.49 1.43 2kvvA14 ILE 36 HG13 -0.12 0.16 -0.55 -0.04 1.21 0.66 2kvvA14 ILE 36 HG23 -0.02 0.04 -0.05 -0.04 0.93 0.85 2kvvA14 ILE 36 HD13 -0.04 -0.01 -0.03 -0.04 0.88 0.76 2kvvA14 GLU 37 H -0.16 0.21 0.11 -0.55 8.60 8.21 2kvvA14 GLU 37 HA -1.18 0.07 0.36 -0.75 4.29 2.78 2kvvA14 GLU 37 HB2 -0.09 0.01 0.12 -0.04 2.09 2.09 2kvvA14 GLU 37 HB3 -0.10 0.02 0.05 -0.04 1.99 1.92 2kvvA14 GLU 37 HG2 0.19 0.01 -0.01 -0.04 2.34 2.49 2kvvA14 GLU 37 HG3 0.07 0.01 0.08 -0.04 2.34 2.46 2kvvA14 GLY 38 H -0.33 0.43 0.33 -0.55 8.43 8.32 2kvvA14 GLY 38 HA2 -0.06 -0.03 0.44 -0.51 4.01 3.85 2kvvA14 GLY 38 HA3 -0.06 0.08 0.49 -0.51 4.01 4.00 2kvvA14 VAL 39 H -0.07 0.57 -0.36 -0.55 8.24 7.83 2kvvA14 VAL 39 HA 0.03 0.06 0.41 -0.75 4.13 3.88 2kvvA14 VAL 39 HB 0.11 -0.07 0.10 -0.04 2.12 2.22 2kvvA14 VAL 39 HG13 -0.02 -0.00 -0.06 -0.04 0.97 0.84 2kvvA14 VAL 39 HG23 0.01 0.05 0.05 -0.04 0.95 1.03 2kvvA14 HIS 40 H 0.00 0.40 0.09 -0.55 8.41 8.36 2kvvA14 HIS 40 HA -0.22 0.12 0.70 -0.75 4.63 4.48 2kvvA14 HIS 40 HB2 -0.21 -0.20 0.24 -0.04 3.26 3.06 2kvvA14 HIS 40 HB3 -0.72 -0.04 0.13 -0.04 3.20 2.52 2kvvA14 HIS 40 HD2 -0.59 -0.07 -0.14 -0.04 6.97 6.12 2kvvA14 HIS 40 HE1 -0.05 0.01 -0.03 -0.04 7.75 7.64 2kvvA14 PHE 41 H -0.08 0.30 -0.20 -0.55 8.34 7.81 2kvvA14 PHE 41 HA 0.59 0.11 0.44 -0.75 4.62 5.01 2kvvA14 PHE 41 HB2 0.48 0.06 -0.16 -0.04 3.15 3.50 2kvvA14 PHE 41 HB3 0.22 0.06 -0.11 -0.04 3.06 3.19 2kvvA14 PHE 41 HD2 0.13 -0.01 -0.46 -0.04 7.28 6.90 2kvvA14 PHE 41 HE2 0.18 0.05 -0.41 -0.04 7.38 7.16 2kvvA14 PHE 41 HZ 0.13 0.06 -0.20 -0.04 7.32 7.28 2kvvA14 LYS 42 H 0.51 0.67 0.26 -0.55 8.42 9.31 2kvvA14 LYS 42 HA 0.02 0.09 0.96 -0.75 4.32 4.64 2kvvA14 LYS 42 HB2 -0.32 0.02 0.06 -0.04 1.87 1.59 2kvvA14 LYS 42 HB3 -0.77 0.08 -0.06 -0.04 1.79 1.00 2kvvA14 LYS 42 HG2 -0.43 0.06 0.02 -0.04 1.46 1.07 2kvvA14 LYS 42 HG3 -0.08 -0.05 -0.22 -0.04 1.46 1.06 2kvvA14 LYS 42 HD2 -0.64 0.04 -0.10 -0.04 1.69 0.95 2kvvA14 LYS 42 HD3 -2.00 0.02 -0.08 -0.04 1.68 -0.42 2kvvA14 LYS 42 HE2 -0.79 -0.05 -0.09 -0.04 2.99 2.02 2kvvA14 LYS 42 HE3 -0.53 -0.01 -0.10 -0.04 2.99 2.32 2kvvA14 ARG 43 H 0.04 0.17 0.13 -0.55 8.46 8.25 2kvvA14 ARG 43 HA 0.17 0.16 0.77 -0.75 4.34 4.68 2kvvA14 ARG 43 HB2 0.17 -0.01 -0.05 -0.04 1.90 1.97 2kvvA14 ARG 43 HB3 0.07 -0.02 0.14 -0.04 1.80 1.95 2kvvA14 ARG 43 HG2 0.06 0.00 -0.38 -0.04 1.67 1.31 2kvvA14 ARG 43 HG3 0.08 0.03 -0.16 -0.04 1.67 1.59 2kvvA14 ARG 43 HD2 0.08 -0.00 -0.05 -0.04 3.22 3.21 2kvvA14 ARG 43 HD3 0.06 -0.02 -0.04 -0.04 3.22 3.17 2kvvA14 VAL 44 H 0.17 0.65 0.21 -0.55 8.24 8.72 2kvvA14 VAL 44 HA 0.05 0.12 0.95 -0.75 4.13 4.49 2kvvA14 VAL 44 HB 0.44 0.07 0.11 -0.04 2.12 2.71 2kvvA14 VAL 44 HG13 0.09 0.03 -0.08 -0.04 0.97 0.98 2kvvA14 VAL 44 HG23 -0.00 -0.02 -0.18 -0.04 0.95 0.70 2kvvA14 SER 45 H 0.04 0.11 0.14 -0.55 8.46 8.20 2kvvA14 SER 45 HA 0.04 0.12 0.61 -0.75 4.49 4.50 2kvvA14 SER 45 HB2 0.02 0.08 0.04 -0.04 3.95 4.06 2kvvA14 SER 45 HB3 0.02 -0.03 0.04 -0.04 3.93 3.92 2kvvA14 PRO 46 HA 0.05 -0.00 0.43 -0.51 4.44 4.40 2kvvA14 PRO 46 HB2 0.02 0.28 -0.00 -0.04 2.28 2.54 2kvvA14 PRO 46 HB3 0.02 -0.05 0.14 -0.04 2.02 2.09 2kvvA14 PRO 46 HG2 0.01 -0.10 0.13 -0.04 2.03 2.03 2kvvA14 PRO 46 HG3 0.02 0.15 0.13 -0.04 2.03 2.28 2kvvA14 PRO 46 HD2 0.02 0.06 0.21 -0.04 3.68 3.93 2kvvA14 PRO 46 HD3 0.03 0.15 0.19 -0.04 3.65 3.97 2kvvA14 SER 47 H 0.03 0.08 0.13 -0.55 8.46 8.16 2kvvA14 SER 47 HA 0.02 0.07 0.39 -0.75 4.49 4.22 2kvvA14 SER 47 HB2 0.03 0.02 0.13 -0.04 3.95 4.09 2kvvA14 SER 47 HB3 0.02 -0.02 0.20 -0.04 3.93 4.08 2kvvA14 GLY 48 H 0.01 0.19 0.13 -0.55 8.43 8.21 2kvvA14 GLY 48 HA2 0.00 0.01 0.37 -0.51 4.01 3.88 2kvvA14 GLY 48 HA3 0.01 0.06 0.44 -0.51 4.01 4.00 2kvvA14 GLU 49 H 0.01 0.55 -0.01 -0.55 8.60 8.60 2kvvA14 GLU 49 HA 0.00 0.02 0.38 -0.75 4.29 3.94 2kvvA14 GLU 49 HB2 0.01 -0.01 0.09 -0.04 2.09 2.14 2kvvA14 GLU 49 HB3 0.01 -0.01 -0.06 -0.04 1.99 1.89 2kvvA14 GLU 49 HG2 0.00 0.00 -0.01 -0.04 2.34 2.30 2kvvA14 GLU 49 HG3 0.01 0.06 0.09 -0.04 2.34 2.46 2kvvA14 LYS 50 H 0.01 0.17 0.15 -0.55 8.42 8.19 2kvvA14 LYS 50 HA 0.01 0.14 0.50 -0.75 4.32 4.22 2kvvA14 LYS 50 HB2 0.01 0.00 0.06 -0.04 1.87 1.90 2kvvA14 LYS 50 HB3 0.01 0.05 0.07 -0.04 1.79 1.87 2kvvA14 LYS 50 HG2 0.00 0.01 0.16 -0.04 1.46 1.59 2kvvA14 LYS 50 HG3 0.00 -0.03 0.16 -0.04 1.46 1.56 2kvvA14 LYS 50 HD2 0.00 -0.02 0.04 -0.04 1.69 1.68 2kvvA14 LYS 50 HD3 0.00 -0.01 0.03 -0.04 1.68 1.67 2kvvA14 LYS 50 HE2 0.00 0.02 0.03 -0.04 2.99 3.00 2kvvA14 LYS 50 HE3 0.00 0.02 0.05 -0.04 2.99 3.02 2kvvA14 THR 51 H 0.01 0.43 0.14 -0.55 8.28 8.31 2kvvA14 THR 51 HA 0.00 0.13 0.74 -0.75 4.39 4.52 2kvvA14 THR 51 HB 0.01 0.08 0.02 -0.04 4.32 4.39 2kvvA14 THR 51 HG23 0.00 -0.07 0.05 -0.04 1.22 1.15 2kvvA14 LEU 52 H 0.00 0.13 0.11 -0.55 8.37 8.07 2kvvA14 LEU 52 HA 0.01 0.12 0.31 -0.75 4.35 4.03 2kvvA14 LEU 52 HB2 0.00 -0.04 0.08 -0.04 1.64 1.65 2kvvA14 LEU 52 HB3 0.01 0.02 0.04 -0.04 1.64 1.67 2kvvA14 LEU 52 HG 0.00 0.02 0.03 -0.04 1.64 1.65 2kvvA14 LEU 52 HD13 0.01 0.02 -0.04 -0.04 0.93 0.88 2kvvA14 LEU 52 HD23 0.00 -0.01 0.08 -0.04 0.89 0.92 2kvvA14 ARG 53 H 0.00 -0.01 -0.24 -0.55 8.46 7.67 2kvvA14 ARG 53 HA -0.01 0.07 0.45 -0.75 4.34 4.10 2kvvA14 ARG 53 HB2 -0.01 -0.03 0.11 -0.04 1.90 1.93 2kvvA14 ARG 53 HB3 -0.02 0.02 0.04 -0.04 1.80 1.81 2kvvA14 ARG 53 HG2 -0.01 -0.07 0.03 -0.04 1.67 1.58 2kvvA14 ARG 53 HG3 -0.01 0.01 0.02 -0.04 1.67 1.65 2kvvA14 ARG 53 HD2 -0.02 0.01 -0.01 -0.04 3.22 3.16 2kvvA14 ARG 53 HD3 -0.01 0.04 -0.03 -0.04 3.22 3.18 2kvvA14 GLY 54 H 0.01 0.37 0.35 -0.55 8.43 8.61 2kvvA14 GLY 54 HA2 0.02 0.10 0.65 -0.51 4.01 4.27 2kvvA14 GLY 54 HA3 0.03 -0.01 0.23 -0.51 4.01 3.76 2kvvA14 THR 55 H 0.04 0.43 0.26 -0.55 8.28 8.46 2kvvA14 THR 55 HA -0.14 -0.00 0.55 -0.75 4.39 4.04 2kvvA14 THR 55 HB 0.14 0.04 0.09 -0.04 4.32 4.54 2kvvA14 THR 55 HG23 -0.69 -0.03 -0.16 -0.04 1.22 0.30 2kvvA14 THR 56 H -0.20 0.13 0.19 -0.55 8.28 7.85 2kvvA14 THR 56 HA 0.12 0.30 0.93 -0.75 4.39 4.99 2kvvA14 THR 56 HB -0.01 -0.08 0.14 -0.04 4.32 4.33 2kvvA14 THR 56 HG23 0.16 0.00 -0.26 -0.04 1.22 1.08 2kvvA14 TRP 57 H 0.40 0.47 0.22 -0.55 7.97 8.52 2kvvA14 TRP 57 HA -0.08 0.08 0.56 -0.75 4.62 4.42 2kvvA14 TRP 57 HB2 0.13 -0.01 0.01 -0.04 3.23 3.32 2kvvA14 TRP 57 HB3 0.27 -0.05 -0.32 -0.04 3.23 3.09 2kvvA14 TRP 57 HD1 -0.03 0.10 -0.08 -0.04 7.22 7.17 2kvvA14 TRP 57 HE1 -0.03 0.05 -0.11 -0.04 10.20 10.08 2kvvA14 TRP 57 HE3 0.07 -0.01 -0.32 -0.04 7.59 7.28 2kvvA14 TRP 57 HZ2 -0.01 0.02 -0.05 -0.04 7.44 7.36 2kvvA14 TRP 57 HZ3 0.02 -0.04 0.07 -0.04 7.13 7.14 2kvvA14 TRP 57 HH2 0.00 0.00 -0.00 -0.04 7.19 7.15 2kvvA14 TYR 58 H 0.08 0.65 0.26 -0.55 8.29 8.73 2kvvA14 TYR 58 HA 0.36 0.16 0.75 -0.75 4.56 5.08 2kvvA14 TYR 58 HB2 0.25 -0.01 0.09 -0.04 3.06 3.34 2kvvA14 TYR 58 HB3 0.09 0.08 0.07 -0.04 2.98 3.17 2kvvA14 TYR 58 HD2 0.34 -0.00 -0.22 -0.04 7.15 7.23 2kvvA14 TYR 58 HE2 0.09 -0.06 -0.08 -0.04 6.85 6.76 2kvvA14 ASN 59 H 0.08 0.74 0.13 -0.55 8.53 8.93 2kvvA14 ASN 59 HA -0.76 0.13 0.64 -0.75 4.76 4.01 2kvvA14 ASN 59 HB2 -0.62 0.07 -0.07 -0.04 2.88 2.22 2kvvA14 ASN 59 HB3 -0.42 -0.04 0.30 -0.04 2.79 2.59 2kvvA14 ASN 59 HD21 -0.35 0.37 0.12 -0.04 7.03 7.13 2kvvA14 ASN 59 HD22 -0.38 -0.06 0.06 -0.04 7.74 7.31 2kvvA14 TYR 60 H -0.10 0.81 0.42 -0.55 8.29 8.87 2kvvA14 TYR 60 HA -0.05 0.00 0.32 -0.75 4.56 4.07 2kvvA14 TYR 60 HB2 -0.02 0.02 0.12 -0.04 3.06 3.15 2kvvA14 TYR 60 HB3 -0.11 0.00 0.20 -0.04 2.98 3.03 2kvvA14 TYR 60 HD2 0.00 -0.03 -0.07 -0.04 7.15 7.01 2kvvA14 TYR 60 HE2 0.02 0.03 -0.19 -0.04 6.85 6.67 2kvvA14 PRO 61 HA -0.19 0.09 0.44 -0.51 4.44 4.26 2kvvA14 PRO 61 HB2 -0.21 0.03 0.04 -0.04 2.28 2.10 2kvvA14 PRO 61 HB3 -0.12 0.08 0.08 -0.04 2.02 2.03 2kvvA14 PRO 61 HG2 -0.18 0.08 0.11 -0.04 2.03 1.99 2kvvA14 PRO 61 HG3 -0.05 0.08 0.04 -0.04 2.03 2.07 2kvvA14 PRO 61 HD2 -0.31 0.02 0.09 -0.04 3.68 3.45 2kvvA14 PRO 61 HD3 0.03 0.13 0.20 -0.04 3.65 3.97 2kvvA14 GLU 62 H -0.33 0.16 -0.32 -0.55 8.60 7.56 2kvvA14 GLU 62 HA -0.30 0.07 0.50 -0.75 4.29 3.80 2kvvA14 GLU 62 HB2 -0.59 0.16 0.20 -0.04 2.09 1.82 2kvvA14 GLU 62 HB3 -1.42 -0.03 -0.00 -0.04 1.99 0.50 2kvvA14 GLU 62 HG2 -0.37 -0.09 0.05 -0.04 2.34 1.89 2kvvA14 GLU 62 HG3 -0.50 0.29 -0.05 -0.04 2.34 2.03 2kvvA14 ILE 63 H -0.29 0.52 -0.02 -0.55 8.25 7.91 2kvvA14 ILE 63 HA -0.08 0.03 0.50 -0.75 4.18 3.87 2kvvA14 ILE 63 HB -0.15 0.12 0.13 -0.04 1.89 1.95 2kvvA14 ILE 63 HG12 -0.75 -0.04 -0.00 -0.04 1.49 0.66 2kvvA14 ILE 63 HG13 -0.34 0.29 0.04 -0.04 1.21 1.16 2kvvA14 ILE 63 HG23 0.16 -0.02 -0.06 -0.04 0.93 0.97 2kvvA14 ILE 63 HD13 0.15 -0.03 -0.14 -0.04 0.88 0.82 2kvvA14 ASN 64 H -0.31 0.61 -0.14 -0.55 8.53 8.15 2kvvA14 ASN 64 HA -0.17 0.03 0.52 -0.75 4.76 4.38 2kvvA14 ASN 64 HB2 -0.44 0.00 0.09 -0.04 2.88 2.50 2kvvA14 ASN 64 HB3 -0.21 0.22 0.18 -0.04 2.79 2.94 2kvvA14 ASN 64 HD21 -0.11 0.01 -0.01 -0.04 7.03 6.89 2kvvA14 ASN 64 HD22 -0.07 -0.01 -0.04 -0.04 7.74 7.58 2kvvA14 LYS 65 H -0.12 0.42 -0.19 -0.55 8.42 7.98 2kvvA14 LYS 65 HA -0.04 0.03 0.49 -0.75 4.32 4.03 2kvvA14 LYS 65 HB2 -0.06 -0.01 0.14 -0.04 1.87 1.90 2kvvA14 LYS 65 HB3 -0.05 0.17 0.20 -0.04 1.79 2.06 2kvvA14 LYS 65 HG2 0.04 0.01 -0.10 -0.04 1.46 1.37 2kvvA14 LYS 65 HG3 -0.01 -0.04 0.10 -0.04 1.46 1.48 2kvvA14 LYS 65 HD2 0.01 -0.02 0.01 -0.04 1.69 1.65 2kvvA14 LYS 65 HD3 -0.03 -0.01 0.02 -0.04 1.68 1.62 2kvvA14 LYS 65 HE2 -0.04 -0.03 0.00 -0.04 2.99 2.88 2kvvA14 LYS 65 HE3 -0.10 0.02 0.04 -0.04 2.99 2.91 2kvvA14 PHE 66 H 0.11 0.30 -0.38 -0.55 8.34 7.82 2kvvA14 PHE 66 HA -0.01 0.07 0.65 -0.75 4.62 4.57 2kvvA14 PHE 66 HB2 0.03 0.03 0.11 -0.04 3.15 3.27 2kvvA14 PHE 66 HB3 -0.04 0.16 0.25 -0.04 3.06 3.39 2kvvA14 PHE 66 HD2 -0.07 0.04 -0.02 -0.04 7.28 7.19 2kvvA14 PHE 66 HE2 -0.45 -0.01 -0.03 -0.04 7.38 6.84 2kvvA14 PHE 66 HZ -0.49 -0.01 -0.03 -0.04 7.32 6.75 2kvvA14 ILE 67 H 0.08 0.71 0.07 -0.55 8.25 8.56 2kvvA14 ILE 67 HA -0.21 -0.04 0.39 -0.75 4.18 3.56 2kvvA14 ILE 67 HB -0.06 0.12 0.15 -0.04 1.89 2.06 2kvvA14 ILE 67 HG12 0.07 -0.08 0.03 -0.04 1.49 1.47 2kvvA14 ILE 67 HG13 0.11 0.27 0.13 -0.04 1.21 1.68 2kvvA14 ILE 67 HG23 -0.08 -0.01 -0.01 -0.04 0.93 0.79 2kvvA14 ILE 67 HD13 0.01 -0.01 -0.02 -0.04 0.88 0.81 2kvvA14 ARG 68 H -0.08 0.39 -0.54 -0.55 8.46 7.68 2kvvA14 ARG 68 HA -0.06 -0.00 0.36 -0.75 4.34 3.88 2kvvA14 ARG 68 HB2 -0.05 0.04 0.13 -0.04 1.90 1.98 2kvvA14 ARG 68 HB3 -0.05 0.28 0.12 -0.04 1.80 2.10 2kvvA14 ARG 68 HG2 -0.02 -0.01 -0.00 -0.04 1.67 1.60 2kvvA14 ARG 68 HG3 -0.03 -0.02 -0.24 -0.04 1.67 1.34 2kvvA14 ARG 68 HD2 -0.03 -0.00 0.00 -0.04 3.22 3.15 2kvvA14 ARG 68 HD3 -0.02 -0.02 -0.02 -0.04 3.22 3.12 2kvvA14 ASP 69 H -0.14 0.37 -0.18 -0.55 8.40 7.90 2kvvA14 ASP 69 HA -0.03 -0.00 0.31 -0.75 4.63 4.16 2kvvA14 ASP 69 HB2 -0.06 0.01 0.15 -0.04 2.71 2.77 2kvvA14 ASP 69 HB3 -0.24 0.10 0.14 -0.04 2.70 2.65 2kvvA14 SER 70 H -0.30 0.25 -0.25 -0.55 8.46 7.61 2kvvA14 SER 70 HA -0.19 0.02 0.34 -0.75 4.49 3.90 2kvvA14 SER 70 HB2 -0.22 0.09 0.15 -0.04 3.95 3.92 2kvvA14 SER 70 HB3 -0.23 -0.04 -0.03 -0.04 3.93 3.59 2kvvA14 LEU 71 H -0.13 0.71 0.00 -0.55 8.37 8.40 2kvvA14 LEU 71 HA 0.00 -0.09 0.15 -0.75 4.35 3.66 2kvvA14 LEU 71 HB2 -0.05 -0.02 0.09 -0.04 1.64 1.62 2kvvA14 LEU 71 HB3 -0.04 0.07 0.08 -0.04 1.64 1.72 2kvvA14 LEU 71 HG 0.04 0.04 -0.10 -0.04 1.64 1.58 2kvvA14 LEU 71 HD13 0.09 -0.02 0.05 -0.04 0.93 1.00 2kvvA14 LEU 71 HD23 0.01 -0.01 -0.02 -0.04 0.89 0.83 2kvvA14 GLU 72 H -0.10 0.45 -0.32 -0.55 8.60 8.09 2kvvA14 GLU 72 HA 0.02 0.01 0.45 -0.75 4.29 4.01 2kvvA14 GLU 72 HB2 -0.00 0.04 0.15 -0.04 2.09 2.23 2kvvA14 GLU 72 HB3 0.03 -0.07 0.03 -0.04 1.99 1.94 2kvvA14 GLU 72 HG2 -0.03 0.44 0.09 -0.04 2.34 2.80 2kvvA14 GLU 72 HG3 0.00 -0.10 -0.02 -0.04 2.34 2.19 2kvvA14 HIS 73 H -0.31 0.36 0.02 -0.55 8.41 7.93 2kvvA14 HIS 73 HA -0.12 0.14 0.79 -0.75 4.63 4.68 2kvvA14 HIS 73 HB2 -0.19 -0.06 0.21 -0.04 3.26 3.17 2kvvA14 HIS 73 HB3 -0.09 -0.06 0.07 -0.04 3.20 3.08 2kvvA14 HIS 73 HD2 -0.05 -0.08 0.09 -0.04 6.97 6.89 2kvvA14 HIS 73 HE1 0.06 -0.09 -0.07 -0.04 7.75 7.61 2kvvA14 HIS 74 H -0.15 0.29 -0.47 -0.55 8.41 7.53 2kvvA14 HIS 74 HA -0.25 0.08 0.52 -0.75 4.63 4.24 2kvvA14 HIS 74 HB2 -0.14 0.18 -0.13 -0.04 3.26 3.13 2kvvA14 HIS 74 HB3 -0.06 -0.19 0.03 -0.04 3.20 2.94 2kvvA14 HIS 74 HD2 -0.02 -0.06 0.06 -0.04 6.97 6.90 2kvvA14 HIS 74 HE1 0.11 -0.05 -0.05 -0.04 7.75 7.72 2kvvA14 HIS 75 H 0.09 0.12 0.01 -0.55 8.41 8.09 2kvvA14 HIS 75 HA 0.09 0.27 0.85 -0.75 4.63 5.08 2kvvA14 HIS 75 HB2 0.08 -0.05 0.14 -0.04 3.26 3.39 2kvvA14 HIS 75 HB3 0.08 -0.02 0.02 -0.04 3.20 3.23 2kvvA14 HIS 75 HD2 0.03 -0.05 -0.05 -0.04 6.97 6.85 2kvvA14 HIS 75 HE1 0.02 0.06 -0.02 -0.04 7.75 7.76 2kvvA14 HIS 76 H 0.24 0.28 -0.05 -0.55 8.41 8.33 2kvvA14 HIS 76 HA 0.09 0.09 0.49 -0.75 4.63 4.55 2kvvA14 HIS 76 HB2 0.03 -0.00 0.02 -0.04 3.26 3.26 2kvvA14 HIS 76 HB3 0.04 0.02 0.17 -0.04 3.20 3.39 2kvvA14 HIS 76 HD2 0.03 -0.04 -0.08 -0.04 6.97 6.83 2kvvA14 HIS 76 HE1 -0.03 0.03 -0.01 -0.04 7.75 7.69 2kvvA14 HIS 77 H 0.15 0.47 0.12 -0.55 8.41 8.61 2kvvA14 HIS 77 HA -0.03 0.06 0.52 -0.75 4.63 4.42 2kvvA14 HIS 77 HB2 0.02 0.02 0.06 -0.04 3.26 3.32 2kvvA14 HIS 77 HB3 0.02 0.01 0.21 -0.04 3.20 3.39 2kvvA14 HIS 77 HD2 -0.00 0.01 -0.02 -0.04 6.97 6.91 2kvvA14 HIS 77 HE1 -0.05 -0.02 -0.04 -0.04 7.75 7.60 2kvvA14 HIS 78 H -0.28 0.30 0.15 -0.55 8.41 8.04 2kvvA14 HIS 78 HA -0.26 0.05 0.18 -0.75 4.63 3.84 2kvvA14 HIS 78 HB2 -0.48 -0.04 -0.17 -0.04 3.26 2.53 2kvvA14 HIS 78 HB3 -0.28 0.22 0.02 -0.04 3.20 3.11 2kvvA14 HIS 78 HD2 -0.05 0.01 0.04 -0.04 6.97 6.93 2kvvA14 HIS 78 HE1 -0.04 -0.01 0.01 -0.04 7.75 7.66