============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 10 rings ring int. center anis. iso. HIS 28 0.900 11.175 2.316 -2.742 -99.200 -91.000 TYR 30 0.840 21.293 0.119 -10.493 -99.200 -91.000 HIS 43 0.900 32.683 9.408 -22.187 -99.200 -91.000 TYR 44 0.840 29.599 3.515 -24.845 -99.200 -91.000 HIS 65 0.900 12.883 18.995 -21.781 -99.200 -91.000 TRP 73 1.040 30.612 23.712 -20.382 -99.200 -91.000 TRP6 73 1.020 29.159 24.076 -18.559 -99.200 -91.000 PHE 76 1.000 33.690 19.880 -25.388 -99.200 -91.000 HIS 80 0.900 39.533 21.080 -19.334 -99.200 -91.000 HIS 81 0.900 41.698 21.571 -24.453 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2zvsA1 ALA 1 HA 0.01 -0.24 0.15 -0.75 4.34 3.50 2zvsA1 ALA 1 HB3 0.01 0.03 0.05 -0.04 1.41 1.45 2zvsA1 LEU 2 H -0.01 -0.08 0.06 -0.55 8.37 7.80 2zvsA1 LEU 2 HA -0.01 0.18 0.58 -0.75 4.35 4.34 2zvsA1 LEU 2 HB2 -0.02 -0.10 -0.04 -0.04 1.64 1.44 2zvsA1 LEU 2 HB3 -0.02 0.05 -0.03 -0.04 1.64 1.60 2zvsA1 LEU 2 HG -0.01 -0.11 -0.01 -0.04 1.64 1.46 2zvsA1 LEU 2 HD13 -0.03 -0.00 -0.14 -0.04 0.93 0.72 2zvsA1 LEU 2 HD23 -0.00 0.03 -0.27 -0.04 0.89 0.60 2zvsA1 LEU 3 H -0.01 0.63 0.26 -0.55 8.37 8.70 2zvsA1 LEU 3 HA -0.00 0.04 0.50 -0.75 4.35 4.13 2zvsA1 LEU 3 HB2 -0.02 0.05 -0.08 -0.04 1.64 1.56 2zvsA1 LEU 3 HB3 -0.01 -0.00 -0.08 -0.04 1.64 1.50 2zvsA1 LEU 3 HG 0.00 0.06 0.02 -0.04 1.64 1.68 2zvsA1 LEU 3 HD13 -0.00 0.01 0.08 -0.04 0.93 0.98 2zvsA1 LEU 3 HD23 -0.00 -0.02 -0.11 -0.04 0.89 0.72 2zvsA1 ILE 4 H 0.01 0.17 0.11 -0.55 8.25 7.99 2zvsA1 ILE 4 HA 0.00 0.19 1.00 -0.75 4.18 4.62 2zvsA1 ILE 4 HB 0.05 0.24 0.03 -0.04 1.89 2.17 2zvsA1 ILE 4 HG12 0.01 -0.10 -0.25 -0.04 1.49 1.11 2zvsA1 ILE 4 HG13 0.04 -0.00 -0.08 -0.04 1.21 1.13 2zvsA1 ILE 4 HG23 0.03 0.01 -0.08 -0.04 0.93 0.85 2zvsA1 ILE 4 HD13 0.03 -0.03 -0.30 -0.04 0.88 0.54 2zvsA1 THR 5 H 0.01 0.45 0.18 -0.55 8.28 8.37 2zvsA1 THR 5 HA 0.01 0.07 0.43 -0.75 4.39 4.15 2zvsA1 THR 5 HB 0.01 -0.08 0.12 -0.04 4.32 4.32 2zvsA1 THR 5 HG23 -0.00 0.02 0.01 -0.04 1.22 1.20 2zvsA1 LYS 6 H 0.01 0.17 0.14 -0.55 8.42 8.18 2zvsA1 LYS 6 HA 0.02 0.09 0.26 -0.75 4.32 3.95 2zvsA1 LYS 6 HB2 0.01 0.01 0.04 -0.04 1.87 1.89 2zvsA1 LYS 6 HB3 0.01 0.06 0.12 -0.04 1.79 1.95 2zvsA1 LYS 6 HG2 0.02 0.03 0.06 -0.04 1.46 1.53 2zvsA1 LYS 6 HG3 0.02 -0.05 0.10 -0.04 1.46 1.48 2zvsA1 LYS 6 HD2 0.01 -0.00 0.04 -0.04 1.69 1.69 2zvsA1 LYS 6 HD3 0.01 0.03 0.02 -0.04 1.68 1.70 2zvsA1 LYS 6 HE2 0.02 0.01 0.02 -0.04 2.99 3.00 2zvsA1 LYS 6 HE3 0.01 -0.02 0.03 -0.04 2.99 2.98 2zvsA1 LYS 7 H 0.01 0.03 -0.50 -0.55 8.42 7.41 2zvsA1 LYS 7 HA 0.01 0.16 0.54 -0.75 4.32 4.28 2zvsA1 LYS 7 HB2 0.01 -0.06 -0.18 -0.04 1.87 1.59 2zvsA1 LYS 7 HB3 0.00 0.04 0.08 -0.04 1.79 1.88 2zvsA1 LYS 7 HG2 0.00 -0.12 -0.04 -0.04 1.46 1.27 2zvsA1 LYS 7 HG3 0.00 0.09 -0.07 -0.04 1.46 1.43 2zvsA1 LYS 7 HD2 0.00 0.05 -0.02 -0.04 1.69 1.68 2zvsA1 LYS 7 HD3 0.00 0.02 -0.04 -0.04 1.68 1.62 2zvsA1 LYS 7 HE2 0.00 -0.05 -0.05 -0.04 2.99 2.85 2zvsA1 LYS 7 HE3 0.00 0.01 -0.03 -0.04 2.99 2.93 2zvsA1 CYS 8 H 0.03 0.14 -0.41 -0.55 8.50 7.71 2zvsA1 CYS 8 HA 0.02 0.01 0.27 -0.75 4.58 4.13 2zvsA1 CYS 8 HB2 0.04 -0.00 0.03 -0.04 2.97 3.00 2zvsA1 CYS 8 HB3 0.06 0.13 0.08 -0.04 2.97 3.20 2zvsA1 ILE 9 H 0.03 0.01 0.13 -0.55 8.25 7.87 2zvsA1 ILE 9 HA 0.03 0.38 1.01 -0.75 4.18 4.84 2zvsA1 ILE 9 HB 0.02 0.04 0.14 -0.04 1.89 2.05 2zvsA1 ILE 9 HG12 0.01 0.04 0.01 -0.04 1.49 1.51 2zvsA1 ILE 9 HG13 0.02 -0.23 -0.08 -0.04 1.21 0.88 2zvsA1 ILE 9 HG23 0.01 0.07 -0.14 -0.04 0.93 0.83 2zvsA1 ILE 9 HD13 0.01 0.02 -0.04 -0.04 0.88 0.83 2zvsA1 ASN 10 H 0.09 0.03 -0.27 -0.55 8.53 7.83 2zvsA1 ASN 10 HA 0.24 -0.16 0.33 -0.75 4.76 4.41 2zvsA1 ASN 10 HB2 0.05 0.18 0.05 -0.04 2.88 3.11 2zvsA1 ASN 10 HB3 0.07 -0.01 0.12 -0.04 2.79 2.93 2zvsA1 ASN 10 HD21 0.04 0.17 -0.02 -0.04 7.03 7.19 2zvsA1 ASN 10 HD22 0.04 -0.07 -0.41 -0.04 7.74 7.27 2zvsA1 CYS 11 H 0.05 -0.04 -0.09 -0.55 8.50 7.88 2zvsA1 CYS 11 HA 0.04 0.32 0.79 -0.75 4.58 4.98 2zvsA1 CYS 11 HB2 0.00 0.11 0.15 -0.04 2.97 3.19 2zvsA1 CYS 11 HB3 0.01 0.09 0.02 -0.04 2.97 3.04 2zvsA1 ASP 12 H 0.10 0.03 -0.11 -0.55 8.40 7.86 2zvsA1 ASP 12 HA -0.14 -0.06 0.28 -0.75 4.63 3.96 2zvsA1 ASP 12 HB2 0.06 0.19 -0.60 -0.04 2.71 2.32 2zvsA1 ASP 12 HB3 0.03 0.05 -0.02 -0.04 2.70 2.72 2zvsA1 MET 13 H -0.07 0.15 -0.87 -0.55 8.47 7.13 2zvsA1 MET 13 HA -0.05 0.14 0.30 -0.75 4.52 4.15 2zvsA1 MET 13 HB2 -0.05 -0.04 -0.01 -0.04 2.15 2.01 2zvsA1 MET 13 HB3 -0.08 -0.05 -0.22 -0.04 2.03 1.63 2zvsA1 MET 13 HG2 -0.04 0.10 -0.08 -0.04 2.63 2.56 2zvsA1 MET 13 HG3 -0.04 0.00 0.05 -0.04 2.56 2.53 2zvsA1 MET 13 HE3 -0.02 0.03 0.01 -0.04 2.10 2.07 2zvsA1 CYS 14 H -0.22 -0.06 -0.37 -0.55 8.50 7.31 2zvsA1 CYS 14 HA -0.13 0.15 0.41 -0.75 4.58 4.25 2zvsA1 CYS 14 HB2 -0.15 -0.06 0.05 -0.04 2.97 2.77 2zvsA1 CYS 14 HB3 -0.15 0.04 0.03 -0.04 2.97 2.84 2zvsA1 GLU 15 H -0.26 0.31 -0.19 -0.55 8.60 7.91 2zvsA1 GLU 15 HA -0.11 -0.03 0.30 -0.75 4.29 3.70 2zvsA1 GLU 15 HB2 -0.01 -0.12 -0.04 -0.04 2.09 1.88 2zvsA1 GLU 15 HB3 -0.04 0.13 0.12 -0.04 1.99 2.16 2zvsA1 GLU 15 HG2 0.01 -0.00 -0.38 -0.04 2.34 1.93 2zvsA1 GLU 15 HG3 0.10 0.01 -0.06 -0.04 2.34 2.35 2zvsA1 PRO 16 HA -0.01 0.07 0.39 -0.51 4.44 4.38 2zvsA1 PRO 16 HB2 -0.02 0.04 -0.07 -0.04 2.28 2.19 2zvsA1 PRO 16 HB3 -0.01 0.00 0.08 -0.04 2.02 2.06 2zvsA1 PRO 16 HG2 -0.03 0.13 -0.03 -0.04 2.03 2.06 2zvsA1 PRO 16 HG3 -0.01 0.01 0.02 -0.04 2.03 2.00 2zvsA1 PRO 16 HD2 -0.07 0.17 -0.02 -0.04 3.68 3.72 2zvsA1 PRO 16 HD3 -0.02 0.07 0.09 -0.04 3.65 3.76 2zvsA1 GLU 17 H -0.06 0.14 -0.83 -0.55 8.60 7.29 2zvsA1 GLU 17 HA -0.02 0.18 0.55 -0.75 4.29 4.26 2zvsA1 GLU 17 HB2 -0.05 0.06 -0.09 -0.04 2.09 1.96 2zvsA1 GLU 17 HB3 -0.09 0.02 0.03 -0.04 1.99 1.91 2zvsA1 GLU 17 HG2 -0.12 -0.03 -0.13 -0.04 2.34 2.02 2zvsA1 GLU 17 HG3 -0.15 -0.10 -0.21 -0.04 2.34 1.85 2zvsA1 CYS 18 H -0.08 0.24 0.06 -0.55 8.50 8.17 2zvsA1 CYS 18 HA -0.10 -0.03 0.35 -0.75 4.58 4.04 2zvsA1 CYS 18 HB2 -0.07 0.02 0.14 -0.04 2.97 3.02 2zvsA1 CYS 18 HB3 -0.05 0.13 0.20 -0.04 2.97 3.21 2zvsA1 PRO 19 HA -0.14 0.21 0.15 -0.51 4.44 4.15 2zvsA1 PRO 19 HB2 -1.20 0.08 0.04 -0.04 2.28 1.16 2zvsA1 PRO 19 HB3 -0.42 0.07 0.13 -0.04 2.02 1.77 2zvsA1 PRO 19 HG2 -0.09 -0.00 -0.02 -0.04 2.03 1.88 2zvsA1 PRO 19 HG3 -0.01 0.02 0.05 -0.04 2.03 2.04 2zvsA1 PRO 19 HD2 -0.07 -0.10 0.16 -0.04 3.68 3.63 2zvsA1 PRO 19 HD3 -0.08 0.15 0.19 -0.04 3.65 3.87 2zvsA1 ASN 20 H -0.06 -0.13 -0.80 -0.55 8.53 7.00 2zvsA1 ASN 20 HA -0.02 0.33 0.94 -0.75 4.76 5.25 2zvsA1 ASN 20 HB2 -0.01 -0.15 0.01 -0.04 2.88 2.70 2zvsA1 ASN 20 HB3 0.00 0.11 0.22 -0.04 2.79 3.07 2zvsA1 ASN 20 HD21 0.12 -0.01 -0.10 -0.04 7.03 7.00 2zvsA1 ASN 20 HD22 0.03 -0.18 -0.02 -0.04 7.74 7.53 2zvsA1 GLU 21 H -0.03 0.51 0.00 -0.55 8.60 8.52 2zvsA1 GLU 21 HA -0.02 0.06 0.33 -0.75 4.29 3.91 2zvsA1 GLU 21 HB2 -0.00 0.03 0.10 -0.04 2.09 2.17 2zvsA1 GLU 21 HB3 -0.01 0.02 0.10 -0.04 1.99 2.06 2zvsA1 GLU 21 HG2 -0.02 0.12 -0.08 -0.04 2.34 2.32 2zvsA1 GLU 21 HG3 -0.01 -0.01 -0.40 -0.04 2.34 1.87 2zvsA1 ALA 22 H -0.01 -0.08 -0.18 -0.55 8.40 7.58 2zvsA1 ALA 22 HA 0.00 0.18 0.55 -0.75 4.34 4.31 2zvsA1 ALA 22 HB3 -0.01 0.03 -0.10 -0.04 1.41 1.29 2zvsA1 ILE 23 H -0.00 0.01 -0.05 -0.55 8.25 7.66 2zvsA1 ILE 23 HA 0.06 0.32 1.11 -0.75 4.18 4.91 2zvsA1 ILE 23 HB -0.02 0.07 0.06 -0.04 1.89 1.96 2zvsA1 ILE 23 HG12 -0.01 0.02 -0.17 -0.04 1.49 1.29 2zvsA1 ILE 23 HG13 -0.03 -0.10 -0.06 -0.04 1.21 0.98 2zvsA1 ILE 23 HG23 0.04 -0.03 -0.30 -0.04 0.93 0.61 2zvsA1 ILE 23 HD13 -0.10 0.02 -0.16 -0.04 0.88 0.60 2zvsA1 SER 24 H 0.12 0.73 0.36 -0.55 8.46 9.13 2zvsA1 SER 24 HA 0.17 0.07 0.48 -0.75 4.49 4.46 2zvsA1 SER 24 HB2 0.00 -0.02 0.12 -0.04 3.95 4.01 2zvsA1 SER 24 HB3 0.03 0.12 -0.13 -0.04 3.93 3.92 2zvsA1 MET 25 H -0.11 0.18 0.11 -0.55 8.47 8.11 2zvsA1 MET 25 HA -0.58 0.01 0.71 -0.75 4.52 3.90 2zvsA1 MET 25 HB2 -0.50 -0.06 0.06 -0.04 2.15 1.61 2zvsA1 MET 25 HB3 -0.20 0.04 0.03 -0.04 2.03 1.85 2zvsA1 MET 25 HG2 -0.31 -0.02 -0.06 -0.04 2.63 2.20 2zvsA1 MET 25 HG3 -0.21 0.12 -0.16 -0.04 2.56 2.27 2zvsA1 MET 25 HE3 -0.30 -0.03 -0.04 -0.04 2.10 1.69 2zvsA1 GLY 26 H -0.19 0.23 -0.23 -0.55 8.43 7.69 2zvsA1 GLY 26 HA2 -0.10 0.15 0.44 -0.51 4.01 4.00 2zvsA1 GLY 26 HA3 -0.09 -0.10 0.34 -0.51 4.01 3.65 2zvsA1 ASP 27 H -0.12 0.12 0.10 -0.55 8.40 7.95 2zvsA1 ASP 27 HA -0.19 0.07 0.27 -0.75 4.63 4.03 2zvsA1 ASP 27 HB2 -0.20 0.04 0.13 -0.04 2.71 2.64 2zvsA1 ASP 27 HB3 -0.19 -0.03 0.18 -0.04 2.70 2.63 2zvsA1 HIS 28 H -0.12 -0.02 0.09 -0.55 8.41 7.81 2zvsA1 HIS 28 HA -0.03 0.35 1.27 -0.75 4.63 5.47 2zvsA1 HIS 28 HB2 -0.01 -0.04 0.06 -0.04 3.26 3.23 2zvsA1 HIS 28 HB3 -0.01 0.03 0.05 -0.04 3.20 3.23 2zvsA1 HIS 28 HD2 -0.02 0.20 -0.08 -0.04 6.97 7.02 2zvsA1 HIS 28 HE1 -0.01 -0.00 -0.02 -0.04 7.75 7.67 2zvsA1 ILE 29 H 0.01 0.09 0.10 -0.55 8.25 7.91 2zvsA1 ILE 29 HA 0.02 0.11 0.71 -0.75 4.18 4.27 2zvsA1 ILE 29 HB 0.05 -0.07 -0.02 -0.04 1.89 1.81 2zvsA1 ILE 29 HG12 0.05 0.09 -0.05 -0.04 1.49 1.54 2zvsA1 ILE 29 HG13 0.07 -0.03 -0.31 -0.04 1.21 0.89 2zvsA1 ILE 29 HG23 0.07 0.11 -0.14 -0.04 0.93 0.93 2zvsA1 ILE 29 HD13 0.04 0.05 -0.03 -0.04 0.88 0.90 2zvsA1 TYR 30 H 0.15 0.00 0.09 -0.55 8.29 7.98 2zvsA1 TYR 30 HA -0.01 0.17 0.58 -0.75 4.56 4.55 2zvsA1 TYR 30 HB2 -0.01 -0.10 0.09 -0.04 3.06 3.00 2zvsA1 TYR 30 HB3 -0.01 0.03 -0.15 -0.04 2.98 2.81 2zvsA1 TYR 30 HD2 -0.01 0.02 -0.12 -0.04 7.15 7.00 2zvsA1 TYR 30 HE2 -0.01 0.03 -0.15 -0.04 6.85 6.68 2zvsA1 GLU 31 H 0.13 0.77 0.39 -0.55 8.60 9.33 2zvsA1 GLU 31 HA 0.04 0.11 0.86 -0.75 4.29 4.55 2zvsA1 GLU 31 HB2 -0.00 0.06 0.03 -0.04 2.09 2.13 2zvsA1 GLU 31 HB3 0.01 0.01 -0.22 -0.04 1.99 1.75 2zvsA1 GLU 31 HG2 -0.00 0.03 -0.00 -0.04 2.34 2.32 2zvsA1 GLU 31 HG3 -0.00 0.04 -0.04 -0.04 2.34 2.29 2zvsA1 ILE 32 H 0.03 0.16 0.16 -0.55 8.25 8.05 2zvsA1 ILE 32 HA 0.02 0.25 0.78 -0.75 4.18 4.48 2zvsA1 ILE 32 HB 0.01 0.06 0.03 -0.04 1.89 1.94 2zvsA1 ILE 32 HG12 -0.00 -0.01 -0.20 -0.04 1.49 1.24 2zvsA1 ILE 32 HG13 0.02 -0.09 -0.26 -0.04 1.21 0.84 2zvsA1 ILE 32 HG23 -0.00 -0.02 -0.33 -0.04 0.93 0.53 2zvsA1 ILE 32 HD13 -0.01 -0.05 -0.35 -0.04 0.88 0.43 2zvsA1 ASN 33 H 0.01 0.51 0.17 -0.55 8.53 8.68 2zvsA1 ASN 33 HA 0.00 0.08 0.74 -0.75 4.76 4.83 2zvsA1 ASN 33 HB2 0.00 0.15 0.25 -0.04 2.88 3.24 2zvsA1 ASN 33 HB3 0.00 -0.17 0.04 -0.04 2.79 2.61 2zvsA1 ASN 33 HD21 -0.00 -0.01 -0.06 -0.04 7.03 6.92 2zvsA1 ASN 33 HD22 0.01 0.12 -0.03 -0.04 7.74 7.79 2zvsA1 SER 34 H 0.00 0.27 0.21 -0.55 8.46 8.39 2zvsA1 SER 34 HA 0.00 0.12 0.35 -0.75 4.49 4.21 2zvsA1 SER 34 HB2 0.00 0.07 0.12 -0.04 3.95 4.10 2zvsA1 SER 34 HB3 0.01 -0.09 0.19 -0.04 3.93 4.00 2zvsA1 ASP 35 H 0.00 0.04 -0.27 -0.55 8.40 7.62 2zvsA1 ASP 35 HA 0.01 0.10 0.20 -0.75 4.63 4.18 2zvsA1 ASP 35 HB2 -0.00 -0.02 -0.00 -0.04 2.71 2.65 2zvsA1 ASP 35 HB3 -0.00 0.06 -0.00 -0.04 2.70 2.71 2zvsA1 LYS 36 H -0.00 0.24 -0.24 -0.55 8.42 7.87 2zvsA1 LYS 36 HA -0.02 0.27 0.90 -0.75 4.32 4.72 2zvsA1 LYS 36 HB2 -0.00 -0.04 0.09 -0.04 1.87 1.88 2zvsA1 LYS 36 HB3 -0.01 0.09 0.15 -0.04 1.79 1.98 2zvsA1 LYS 36 HG2 -0.01 0.07 -0.01 -0.04 1.46 1.47 2zvsA1 LYS 36 HG3 -0.01 -0.11 -0.18 -0.04 1.46 1.12 2zvsA1 LYS 36 HD2 -0.00 -0.06 0.05 -0.04 1.69 1.64 2zvsA1 LYS 36 HD3 -0.00 0.13 -0.02 -0.04 1.68 1.75 2zvsA1 LYS 36 HE2 -0.00 -0.03 -0.04 -0.04 2.99 2.87 2zvsA1 LYS 36 HE3 -0.00 -0.07 0.01 -0.04 2.99 2.89 2zvsA1 CYS 37 H -0.00 0.46 -0.23 -0.55 8.50 8.18 2zvsA1 CYS 37 HA -0.00 0.05 0.56 -0.75 4.58 4.43 2zvsA1 CYS 37 HB2 -0.00 0.04 -0.04 -0.04 2.97 2.93 2zvsA1 CYS 37 HB3 0.00 0.21 0.14 -0.04 2.97 3.28 2zvsA1 THR 38 H 0.01 0.10 0.15 -0.55 8.28 7.98 2zvsA1 THR 38 HA 0.01 0.29 0.80 -0.75 4.39 4.73 2zvsA1 THR 38 HB -0.01 0.15 0.20 -0.04 4.32 4.62 2zvsA1 THR 38 HG23 -0.01 0.05 -0.13 -0.04 1.22 1.08 2zvsA1 GLU 39 H 0.00 0.07 -0.19 -0.55 8.60 7.94 2zvsA1 GLU 39 HA -0.01 -0.05 0.25 -0.75 4.29 3.72 2zvsA1 GLU 39 HB2 0.01 0.15 0.05 -0.04 2.09 2.26 2zvsA1 GLU 39 HB3 0.00 -0.01 0.15 -0.04 1.99 2.09 2zvsA1 GLU 39 HG2 0.00 -0.13 -0.06 -0.04 2.34 2.12 2zvsA1 GLU 39 HG3 0.01 0.05 -0.25 -0.04 2.34 2.12 2zvsA1 CYS 40 H 0.03 -0.01 -0.45 -0.55 8.50 7.52 2zvsA1 CYS 40 HA 0.12 0.04 0.18 -0.75 4.58 4.16 2zvsA1 CYS 40 HB2 0.02 0.27 -0.26 -0.04 2.97 2.96 2zvsA1 CYS 40 HB3 0.13 -0.00 0.07 -0.04 2.97 3.12 2zvsA1 VAL 41 H 0.02 0.42 -0.56 -0.55 8.24 7.57 2zvsA1 VAL 41 HA -0.01 0.08 0.36 -0.75 4.13 3.81 2zvsA1 VAL 41 HB -0.04 0.05 0.06 -0.04 2.12 2.15 2zvsA1 VAL 41 HG13 -0.06 -0.00 -0.12 -0.04 0.97 0.74 2zvsA1 VAL 41 HG23 0.01 0.04 0.01 -0.04 0.95 0.96 2zvsA1 GLY 42 H -0.06 0.17 0.28 -0.55 8.43 8.27 2zvsA1 GLY 42 HA2 -0.19 0.00 0.27 -0.51 4.01 3.58 2zvsA1 GLY 42 HA3 -0.32 0.14 0.58 -0.51 4.01 3.90 2zvsA1 HIS 43 H 0.03 0.41 0.16 -0.55 8.41 8.46 2zvsA1 HIS 43 HA -0.04 0.29 1.10 -0.75 4.63 5.22 2zvsA1 HIS 43 HB2 0.15 0.02 0.08 -0.04 3.26 3.46 2zvsA1 HIS 43 HB3 0.13 -0.02 -0.01 -0.04 3.20 3.26 2zvsA1 HIS 43 HD2 -0.02 0.01 0.02 -0.04 6.97 6.94 2zvsA1 HIS 43 HE1 -0.01 0.05 -0.14 -0.04 7.75 7.60 2zvsA1 TYR 44 H 0.22 0.56 0.27 -0.55 8.29 8.79 2zvsA1 TYR 44 HA 0.02 0.13 0.82 -0.75 4.56 4.78 2zvsA1 TYR 44 HB2 0.03 -0.09 0.03 -0.04 3.06 2.99 2zvsA1 TYR 44 HB3 0.01 0.09 0.06 -0.04 2.98 3.10 2zvsA1 TYR 44 HD2 0.01 -0.05 -0.03 -0.04 7.15 7.04 2zvsA1 TYR 44 HE2 -0.04 0.05 0.01 -0.04 6.85 6.83 2zvsA1 GLU 45 H 0.10 0.17 0.12 -0.55 8.60 8.44 2zvsA1 GLU 45 HA 0.04 0.09 0.56 -0.75 4.29 4.23 2zvsA1 GLU 45 HB2 0.03 0.01 0.07 -0.04 2.09 2.16 2zvsA1 GLU 45 HB3 0.02 0.01 0.08 -0.04 1.99 2.07 2zvsA1 GLU 45 HG2 0.03 0.02 -0.02 -0.04 2.34 2.32 2zvsA1 GLU 45 HG3 0.03 0.02 0.05 -0.04 2.34 2.39 2zvsA1 THR 46 H 0.12 0.11 -0.16 -0.55 8.28 7.79 2zvsA1 THR 46 HA 0.02 0.26 0.79 -0.75 4.39 4.70 2zvsA1 THR 46 HB 0.03 -0.03 -0.22 -0.04 4.32 4.05 2zvsA1 THR 46 HG23 0.01 0.00 -0.23 -0.04 1.22 0.96 2zvsA1 PRO 47 HA -0.08 0.01 0.18 -0.51 4.44 4.05 2zvsA1 PRO 47 HB2 -0.05 -0.08 0.09 -0.04 2.28 2.19 2zvsA1 PRO 47 HB3 -0.05 -0.05 -0.02 -0.04 2.02 1.86 2zvsA1 PRO 47 HG2 -0.02 0.05 0.04 -0.04 2.03 2.06 2zvsA1 PRO 47 HG3 -0.01 0.24 0.06 -0.04 2.03 2.28 2zvsA1 PRO 47 HD2 -0.02 0.10 0.11 -0.04 3.68 3.84 2zvsA1 PRO 47 HD3 0.00 0.28 0.19 -0.04 3.65 4.08 2zvsA1 THR 48 H -0.32 0.13 0.15 -0.55 8.28 7.70 2zvsA1 THR 48 HA -0.41 0.20 0.18 -0.75 4.39 3.60 2zvsA1 THR 48 HB -0.37 -0.05 -0.09 -0.04 4.32 3.77 2zvsA1 THR 48 HG23 -0.52 0.03 0.03 -0.04 1.22 0.72 2zvsA1 CYS 49 H -0.15 0.05 -0.17 -0.55 8.50 7.68 2zvsA1 CYS 49 HA -0.12 0.11 0.49 -0.75 4.58 4.30 2zvsA1 CYS 49 HB2 -0.09 -0.01 -0.11 -0.04 2.97 2.72 2zvsA1 CYS 49 HB3 -0.10 0.05 0.03 -0.04 2.97 2.90 2zvsA1 GLN 50 H -0.08 0.17 -0.27 -0.55 8.47 7.74 2zvsA1 GLN 50 HA -0.05 -0.03 0.67 -0.75 4.36 4.20 2zvsA1 GLN 50 HB2 -0.05 0.09 0.02 -0.04 2.15 2.17 2zvsA1 GLN 50 HB3 -0.03 0.05 -0.04 -0.04 2.02 1.96 2zvsA1 GLN 50 HG2 -0.03 0.15 0.07 -0.04 2.40 2.56 2zvsA1 GLN 50 HG3 -0.04 -0.20 -0.06 -0.04 2.39 2.06 2zvsA1 GLN 50 HE21 -0.01 -0.09 -0.09 -0.04 6.97 6.73 2zvsA1 GLN 50 HE22 -0.02 0.67 -0.06 -0.04 7.69 8.24 2zvsA1 LYS 51 H -0.09 0.23 -0.37 -0.55 8.42 7.63 2zvsA1 LYS 51 HA -0.04 0.08 0.42 -0.75 4.32 4.03 2zvsA1 LYS 51 HB2 -0.12 0.04 0.16 -0.04 1.87 1.90 2zvsA1 LYS 51 HB3 -0.07 0.01 -0.08 -0.04 1.79 1.61 2zvsA1 LYS 51 HG2 -0.01 0.00 -0.03 -0.04 1.46 1.38 2zvsA1 LYS 51 HG3 -0.04 -0.03 -0.15 -0.04 1.46 1.20 2zvsA1 LYS 51 HD2 -0.07 -0.02 -0.03 -0.04 1.69 1.52 2zvsA1 LYS 51 HD3 0.02 0.01 -0.05 -0.04 1.68 1.62 2zvsA1 LYS 51 HE2 0.09 0.00 -0.02 -0.04 2.99 3.02 2zvsA1 LYS 51 HE3 0.06 -0.03 -0.05 -0.04 2.99 2.93 2zvsA1 VAL 52 H -0.08 0.25 -0.11 -0.55 8.24 7.74 2zvsA1 VAL 52 HA -0.04 0.14 0.52 -0.75 4.13 3.99 2zvsA1 VAL 52 HB -0.06 -0.03 -0.10 -0.04 2.12 1.89 2zvsA1 VAL 52 HG13 -0.06 0.02 -0.08 -0.04 0.97 0.81 2zvsA1 VAL 52 HG23 -0.10 0.04 -0.01 -0.04 0.95 0.84 2zvsA1 CYS 53 H -0.06 0.26 -0.26 -0.55 8.50 7.89 2zvsA1 CYS 53 HA -0.05 -0.13 0.24 -0.75 4.58 3.88 2zvsA1 CYS 53 HB2 -0.05 0.25 0.24 -0.04 2.97 3.37 2zvsA1 CYS 53 HB3 -0.03 0.10 0.12 -0.04 2.97 3.12 2zvsA1 PRO 54 HA -0.02 0.21 0.49 -0.51 4.44 4.62 2zvsA1 PRO 54 HB2 -0.01 0.03 0.07 -0.04 2.28 2.33 2zvsA1 PRO 54 HB3 -0.01 0.07 0.12 -0.04 2.02 2.15 2zvsA1 PRO 54 HG2 -0.01 -0.01 0.01 -0.04 2.03 1.98 2zvsA1 PRO 54 HG3 -0.01 0.00 0.06 -0.04 2.03 2.04 2zvsA1 PRO 54 HD2 -0.03 -0.10 0.18 -0.04 3.68 3.69 2zvsA1 PRO 54 HD3 -0.03 0.17 0.11 -0.04 3.65 3.86 2zvsA1 ILE 55 H -0.02 -0.10 -0.33 -0.55 8.25 7.25 2zvsA1 ILE 55 HA -0.01 0.43 1.27 -0.75 4.18 5.11 2zvsA1 ILE 55 HB -0.01 -0.11 -0.05 -0.04 1.89 1.69 2zvsA1 ILE 55 HG12 -0.01 -0.14 -0.15 -0.04 1.49 1.15 2zvsA1 ILE 55 HG13 -0.00 -0.11 -0.02 -0.04 1.21 1.04 2zvsA1 ILE 55 HG23 -0.00 0.04 -0.01 -0.04 0.93 0.92 2zvsA1 ILE 55 HD13 0.00 0.05 -0.09 -0.04 0.88 0.79 2zvsA1 PRO 56 HA -0.01 -0.04 0.31 -0.51 4.44 4.18 2zvsA1 PRO 56 HB2 -0.01 0.09 0.35 -0.04 2.28 2.67 2zvsA1 PRO 56 HB3 -0.01 0.01 0.13 -0.04 2.02 2.10 2zvsA1 PRO 56 HG2 -0.01 0.08 -0.12 -0.04 2.03 1.94 2zvsA1 PRO 56 HG3 -0.01 0.05 -0.02 -0.04 2.03 2.02 2zvsA1 PRO 56 HD2 -0.01 0.28 -0.76 -0.04 3.68 3.15 2zvsA1 PRO 56 HD3 -0.01 0.23 -0.11 -0.04 3.65 3.72 2zvsA1 ASN 57 H -0.01 0.03 0.10 -0.55 8.53 8.10 2zvsA1 ASN 57 HA -0.00 0.28 0.68 -0.75 4.76 4.96 2zvsA1 ASN 57 HB2 -0.00 -0.07 -0.07 -0.04 2.88 2.70 2zvsA1 ASN 57 HB3 0.01 -0.03 -0.09 -0.04 2.79 2.63 2zvsA1 ASN 57 HD21 0.00 0.10 -0.10 -0.04 7.03 7.00 2zvsA1 ASN 57 HD22 0.01 -0.22 -0.23 -0.04 7.74 7.25 2zvsA1 THR 58 H -0.02 0.01 0.02 -0.55 8.28 7.74 2zvsA1 THR 58 HA -0.01 0.44 1.01 -0.75 4.39 5.07 2zvsA1 THR 58 HB -0.03 -0.00 0.04 -0.04 4.32 4.29 2zvsA1 THR 58 HG23 -0.03 -0.00 -0.25 -0.04 1.22 0.90 2zvsA1 ILE 59 H -0.01 0.51 0.33 -0.55 8.25 8.53 2zvsA1 ILE 59 HA -0.01 0.08 0.54 -0.75 4.18 4.03 2zvsA1 ILE 59 HB -0.01 0.02 -0.04 -0.04 1.89 1.82 2zvsA1 ILE 59 HG12 -0.00 0.03 0.00 -0.04 1.49 1.48 2zvsA1 ILE 59 HG13 -0.00 -0.05 0.07 -0.04 1.21 1.18 2zvsA1 ILE 59 HG23 -0.01 0.10 -0.28 -0.04 0.93 0.69 2zvsA1 ILE 59 HD13 -0.00 0.01 -0.10 -0.04 0.88 0.75 2zvsA1 VAL 60 H -0.00 0.13 0.14 -0.55 8.24 7.96 2zvsA1 VAL 60 HA -0.01 0.11 0.58 -0.75 4.13 4.05 2zvsA1 VAL 60 HB 0.01 -0.04 0.13 -0.04 2.12 2.18 2zvsA1 VAL 60 HG13 -0.01 0.01 -0.32 -0.04 0.97 0.61 2zvsA1 VAL 60 HG23 0.02 0.02 0.01 -0.04 0.95 0.96 2zvsA1 LYS 61 H -0.04 0.65 0.21 -0.55 8.42 8.68 2zvsA1 LYS 61 HA -0.09 0.01 1.13 -0.75 4.32 4.62 2zvsA1 LYS 61 HB2 -0.04 0.02 -0.15 -0.04 1.87 1.66 2zvsA1 LYS 61 HB3 -0.05 -0.00 -0.08 -0.04 1.79 1.61 2zvsA1 LYS 61 HG2 -0.04 0.25 0.13 -0.04 1.46 1.76 2zvsA1 LYS 61 HG3 -0.02 -0.07 -0.29 -0.04 1.46 1.04 2zvsA1 LYS 61 HD2 -0.02 -0.01 -0.07 -0.04 1.69 1.55 2zvsA1 LYS 61 HD3 -0.04 -0.02 -0.02 -0.04 1.68 1.56 2zvsA1 LYS 61 HE2 -0.01 -0.00 -0.02 -0.04 2.99 2.91 2zvsA1 LYS 61 HE3 -0.02 0.04 -0.02 -0.04 2.99 2.95 2zvsA1 ASP 62 H -0.14 0.22 0.11 -0.55 8.40 8.05 2zvsA1 ASP 62 HA -0.78 0.01 0.28 -0.75 4.63 3.39 2zvsA1 ASP 62 HB2 -0.07 0.03 0.07 -0.04 2.71 2.69 2zvsA1 ASP 62 HB3 -0.06 0.00 0.07 -0.04 2.70 2.68 2zvsA1 PRO 63 HA -0.03 0.17 0.88 -0.51 4.44 4.95 2zvsA1 PRO 63 HB2 -0.01 0.02 0.16 -0.04 2.28 2.41 2zvsA1 PRO 63 HB3 -0.02 -0.02 0.07 -0.04 2.02 2.01 2zvsA1 PRO 63 HG2 -0.03 0.09 -0.25 -0.04 2.03 1.79 2zvsA1 PRO 63 HG3 -0.02 -0.01 -0.04 -0.04 2.03 1.92 2zvsA1 PRO 63 HD2 -0.08 -0.02 -0.48 -0.04 3.68 3.05 2zvsA1 PRO 63 HD3 -0.06 0.04 -0.02 -0.04 3.65 3.56 2zvsA1 ALA 64 H -0.19 0.56 -0.36 -0.55 8.40 7.88 2zvsA1 ALA 64 HA 0.01 0.07 0.66 -0.75 4.34 4.33 2zvsA1 ALA 64 HB3 -0.02 -0.01 -0.01 -0.04 1.41 1.34 2zvsA1 HIS 65 H 0.07 0.12 -0.08 -0.55 8.41 7.98 2zvsA1 HIS 65 HA 0.02 0.04 0.47 -0.75 4.63 4.40 2zvsA1 HIS 65 HB2 0.02 0.01 0.12 -0.04 3.26 3.37 2zvsA1 HIS 65 HB3 0.02 -0.04 -0.03 -0.04 3.20 3.10 2zvsA1 HIS 65 HD2 0.01 0.04 0.08 -0.04 6.97 7.06 2zvsA1 HIS 65 HE1 0.01 -0.04 -0.06 -0.04 7.75 7.62 2zvsA1 VAL 66 H 0.12 0.29 0.22 -0.55 8.24 8.32 2zvsA1 VAL 66 HA 0.09 0.13 0.89 -0.75 4.13 4.48 2zvsA1 VAL 66 HB 0.07 0.01 -0.04 -0.04 2.12 2.11 2zvsA1 VAL 66 HG13 0.10 0.04 -0.10 -0.04 0.97 0.96 2zvsA1 VAL 66 HG23 0.07 0.10 -0.27 -0.04 0.95 0.80 2zvsA1 GLU 67 H 0.07 0.12 0.15 -0.55 8.60 8.39 2zvsA1 GLU 67 HA 0.04 0.20 0.64 -0.75 4.29 4.42 2zvsA1 GLU 67 HB2 0.04 0.07 0.14 -0.04 2.09 2.30 2zvsA1 GLU 67 HB3 0.04 -0.18 0.02 -0.04 1.99 1.83 2zvsA1 GLU 67 HG2 0.02 0.04 0.10 -0.04 2.34 2.46 2zvsA1 GLU 67 HG3 0.02 0.07 -0.01 -0.04 2.34 2.37 2zvsA1 THR 68 H 0.04 0.21 0.17 -0.55 8.28 8.14 2zvsA1 THR 68 HA 0.05 0.15 0.23 -0.75 4.39 4.06 2zvsA1 THR 68 HB 0.03 0.02 0.07 -0.04 4.32 4.41 2zvsA1 THR 68 HG23 0.02 0.02 0.09 -0.04 1.22 1.31 2zvsA1 GLU 69 H 0.06 0.08 -0.23 -0.55 8.60 7.97 2zvsA1 GLU 69 HA 0.12 0.23 0.96 -0.75 4.29 4.84 2zvsA1 GLU 69 HB2 0.06 0.02 0.08 -0.04 2.09 2.20 2zvsA1 GLU 69 HB3 0.11 0.05 0.11 -0.04 1.99 2.22 2zvsA1 GLU 69 HG2 0.06 0.08 -0.10 -0.04 2.34 2.34 2zvsA1 GLU 69 HG3 0.05 -0.21 -0.38 -0.04 2.34 1.76 2zvsA1 GLU 70 H 0.10 0.22 -0.22 -0.55 8.60 8.15 2zvsA1 GLU 70 HA 0.29 0.15 0.70 -0.75 4.29 4.68 2zvsA1 GLU 70 HB2 0.14 0.08 0.03 -0.04 2.09 2.31 2zvsA1 GLU 70 HB3 0.21 0.08 0.11 -0.04 1.99 2.34 2zvsA1 GLU 70 HG2 0.07 0.03 0.01 -0.04 2.34 2.41 2zvsA1 GLU 70 HG3 0.08 -0.12 0.13 -0.04 2.34 2.39 2zvsA1 GLN 71 H 0.10 0.39 -0.08 -0.55 8.47 8.33 2zvsA1 GLN 71 HA 0.05 0.10 0.52 -0.75 4.36 4.28 2zvsA1 GLN 71 HB2 0.04 -0.00 0.10 -0.04 2.15 2.24 2zvsA1 GLN 71 HB3 0.02 0.13 0.04 -0.04 2.02 2.17 2zvsA1 GLN 71 HG2 0.05 0.07 -0.08 -0.04 2.40 2.39 2zvsA1 GLN 71 HG3 0.06 0.08 -0.19 -0.04 2.39 2.30 2zvsA1 GLN 71 HE21 0.04 -0.07 -0.07 -0.04 6.97 6.83 2zvsA1 GLN 71 HE22 0.05 0.11 -0.11 -0.04 7.69 7.70 2zvsA1 LEU 72 H 0.11 0.17 -0.40 -0.55 8.37 7.70 2zvsA1 LEU 72 HA -0.12 0.10 0.31 -0.75 4.35 3.89 2zvsA1 LEU 72 HB2 0.07 0.15 0.19 -0.04 1.64 2.01 2zvsA1 LEU 72 HB3 0.26 0.11 0.03 -0.04 1.64 2.00 2zvsA1 LEU 72 HG 0.30 -0.00 -0.09 -0.04 1.64 1.80 2zvsA1 LEU 72 HD13 -0.53 -0.02 -0.04 -0.04 0.93 0.30 2zvsA1 LEU 72 HD23 0.07 -0.02 -0.02 -0.04 0.89 0.89 2zvsA1 TRP 73 H 0.38 0.45 -0.16 -0.55 7.97 8.09 2zvsA1 TRP 73 HA 0.55 0.03 0.48 -0.75 4.62 4.93 2zvsA1 TRP 73 HB2 0.13 0.00 0.14 -0.04 3.23 3.46 2zvsA1 TRP 73 HB3 0.09 0.02 0.17 -0.04 3.23 3.47 2zvsA1 TRP 73 HD1 0.02 -0.01 0.06 -0.04 7.22 7.25 2zvsA1 TRP 73 HE1 0.02 0.01 0.00 -0.04 10.20 10.19 2zvsA1 TRP 73 HE3 0.05 0.03 -0.01 -0.04 7.59 7.62 2zvsA1 TRP 73 HZ2 0.03 -0.00 -0.01 -0.04 7.44 7.42 2zvsA1 TRP 73 HZ3 0.03 0.00 -0.02 -0.04 7.13 7.10 2zvsA1 TRP 73 HH2 0.03 -0.01 -0.02 -0.04 7.19 7.16 2zvsA1 ASP 74 H 0.09 0.36 -0.52 -0.55 8.40 7.78 2zvsA1 ASP 74 HA -0.50 0.01 0.43 -0.75 4.63 3.83 2zvsA1 ASP 74 HB2 -0.04 0.09 0.14 -0.04 2.71 2.86 2zvsA1 ASP 74 HB3 -0.10 0.00 -0.03 -0.04 2.70 2.52 2zvsA1 LYS 75 H -0.09 0.57 -0.14 -0.55 8.42 8.21 2zvsA1 LYS 75 HA -0.09 -0.03 0.32 -0.75 4.32 3.77 2zvsA1 LYS 75 HB2 -0.14 0.01 0.17 -0.04 1.87 1.87 2zvsA1 LYS 75 HB3 -0.23 0.14 0.31 -0.04 1.79 1.97 2zvsA1 LYS 75 HG2 -0.40 -0.07 0.09 -0.04 1.46 1.05 2zvsA1 LYS 75 HG3 -0.44 -0.01 -0.21 -0.04 1.46 0.76 2zvsA1 LYS 75 HD2 -0.21 -0.08 -0.12 -0.04 1.69 1.24 2zvsA1 LYS 75 HD3 -0.38 -0.03 -0.07 -0.04 1.68 1.16 2zvsA1 LYS 75 HE2 -0.39 0.00 -0.09 -0.04 2.99 2.47 2zvsA1 LYS 75 HE3 -0.54 -0.06 -0.06 -0.04 2.99 2.29 2zvsA1 PHE 76 H -0.11 0.49 -0.08 -0.55 8.34 8.08 2zvsA1 PHE 76 HA -0.06 -0.10 0.28 -0.75 4.62 3.99 2zvsA1 PHE 76 HB2 -0.03 0.07 0.10 -0.04 3.15 3.24 2zvsA1 PHE 76 HB3 -0.08 0.02 0.03 -0.04 3.06 2.99 2zvsA1 PHE 76 HD2 0.04 -0.02 -0.01 -0.04 7.28 7.25 2zvsA1 PHE 76 HE2 0.04 -0.05 -0.11 -0.04 7.38 7.22 2zvsA1 PHE 76 HZ 0.02 -0.05 -0.04 -0.04 7.32 7.21 2zvsA1 VAL 77 H -0.18 0.48 -0.18 -0.55 8.24 7.81 2zvsA1 VAL 77 HA 0.06 -0.02 0.47 -0.75 4.13 3.89 2zvsA1 VAL 77 HB -0.48 0.15 0.19 -0.04 2.12 1.94 2zvsA1 VAL 77 HG13 -0.67 -0.04 0.01 -0.04 0.97 0.23 2zvsA1 VAL 77 HG23 -0.31 -0.06 0.02 -0.04 0.95 0.56 2zvsA1 LEU 78 H -0.07 0.41 -0.22 -0.55 8.37 7.95 2zvsA1 LEU 78 HA -0.02 -0.00 0.49 -0.75 4.35 4.07 2zvsA1 LEU 78 HB2 -0.05 0.19 0.17 -0.04 1.64 1.91 2zvsA1 LEU 78 HB3 0.01 -0.06 -0.03 -0.04 1.64 1.52 2zvsA1 LEU 78 HG -0.05 -0.04 0.02 -0.04 1.64 1.53 2zvsA1 LEU 78 HD13 -0.10 0.02 -0.05 -0.04 0.93 0.75 2zvsA1 LEU 78 HD23 -0.02 -0.03 0.01 -0.04 0.89 0.81 2zvsA1 MET 79 H 0.03 0.43 0.01 -0.55 8.47 8.41 2zvsA1 MET 79 HA 0.07 0.19 1.12 -0.75 4.52 5.14 2zvsA1 MET 79 HB2 -0.01 0.05 0.02 -0.04 2.15 2.17 2zvsA1 MET 79 HB3 0.04 -0.08 0.00 -0.04 2.03 1.95 2zvsA1 MET 79 HG2 0.06 -0.06 -0.30 -0.04 2.63 2.29 2zvsA1 MET 79 HG3 0.10 -0.07 -0.07 -0.04 2.56 2.47 2zvsA1 MET 79 HE3 0.09 -0.01 -0.01 -0.04 2.10 2.12 2zvsA1 HIS 80 H 0.14 0.02 0.10 -0.55 8.41 8.12 2zvsA1 HIS 80 HA 0.16 0.23 0.42 -0.75 4.63 4.68 2zvsA1 HIS 80 HB2 0.05 0.11 -0.08 -0.04 3.26 3.30 2zvsA1 HIS 80 HB3 0.07 -0.04 -0.14 -0.04 3.20 3.04 2zvsA1 HIS 80 HD2 0.03 0.04 0.03 -0.04 6.97 7.04 2zvsA1 HIS 80 HE1 -0.13 -0.05 -0.03 -0.04 7.75 7.49 2zvsA1 HIS 81 H 0.18 0.22 0.12 -0.55 8.41 8.39 2zvsA1 HIS 81 HA 0.07 0.05 0.25 -0.75 4.63 4.24 2zvsA1 HIS 81 HB2 0.34 0.18 -0.62 -0.04 3.26 3.12 2zvsA1 HIS 81 HB3 0.14 -0.03 -0.04 -0.04 3.20 3.23 2zvsA1 HIS 81 HD2 0.05 -0.03 0.02 -0.04 6.97 6.97 2zvsA1 HIS 81 HE1 -0.07 -0.03 0.03 -0.04 7.75 7.63