============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. TYR 4 0.840 -18.455 47.923 57.643 -99.200 -91.000 TYR 5 0.840 -18.821 39.053 57.588 -99.200 -91.000 TRP 20 1.040 -19.966 33.492 61.428 -99.200 -91.000 TRP6 20 1.020 -19.842 34.581 59.328 -99.200 -91.000 HIS 24 0.900 -23.757 46.106 73.073 -99.200 -91.000 TYR 28 0.840 -18.066 40.004 68.425 -99.200 -91.000 PHE 33 1.000 -16.896 31.768 74.802 -99.200 -91.000 HIS 37 0.900 -21.479 31.091 77.601 -99.200 -91.000 PHE 56 1.000 -22.306 39.888 76.223 -99.200 -91.000 HIS 61 0.900 -22.521 37.025 79.218 -99.200 -91.000 TYR 72 0.840 -13.529 33.506 70.900 -99.200 -91.000 TYR 73 0.840 -14.395 42.858 65.232 -99.200 -91.000 HIS 78 0.900 -23.103 46.983 54.093 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1b5mA1 ALA 3 HA 0.03 -0.10 0.22 -0.75 4.34 3.73 1b5mA1 ALA 3 HB3 0.01 -0.01 0.05 -0.04 1.41 1.43 1b5mA1 VAL 4 H 0.03 0.04 0.09 -0.55 8.24 7.85 1b5mA1 VAL 4 HA -0.02 0.03 0.45 -0.75 4.13 3.83 1b5mA1 VAL 4 HB 0.02 -0.03 0.15 -0.04 2.12 2.22 1b5mA1 VAL 4 HG13 -0.24 -0.01 -0.04 -0.04 0.97 0.63 1b5mA1 VAL 4 HG23 0.01 0.01 0.05 -0.04 0.95 0.97 1b5mA1 THR 5 H -0.11 0.09 0.23 -0.55 8.28 7.95 1b5mA1 THR 5 HA 0.03 0.15 0.71 -0.75 4.39 4.52 1b5mA1 THR 5 HB -0.12 -0.01 0.17 -0.04 4.32 4.32 1b5mA1 THR 5 HG23 -0.18 -0.01 -0.10 -0.04 1.22 0.89 1b5mA1 TYR 6 H 0.07 0.18 0.21 -0.55 8.29 8.21 1b5mA1 TYR 6 HA -0.05 0.45 1.69 -0.75 4.56 5.90 1b5mA1 TYR 6 HB2 -0.06 -0.07 0.01 -0.04 3.06 2.89 1b5mA1 TYR 6 HB3 -0.00 0.00 0.02 -0.04 2.98 2.96 1b5mA1 TYR 6 HD2 -0.10 -0.02 -0.32 -0.04 7.15 6.67 1b5mA1 TYR 6 HE2 -0.08 0.06 -0.07 -0.04 6.85 6.73 1b5mA1 TYR 7 H 0.22 0.54 0.25 -0.55 8.29 8.75 1b5mA1 TYR 7 HA 0.11 0.23 0.88 -0.75 4.56 5.03 1b5mA1 TYR 7 HB2 -0.02 -0.01 -0.16 -0.04 3.06 2.83 1b5mA1 TYR 7 HB3 0.12 -0.10 0.02 -0.04 2.98 2.98 1b5mA1 TYR 7 HD2 0.04 -0.05 -0.22 -0.04 7.15 6.88 1b5mA1 TYR 7 HE2 0.05 0.11 -0.16 -0.04 6.85 6.81 1b5mA1 ARG 8 H 0.29 0.26 0.16 -0.55 8.46 8.62 1b5mA1 ARG 8 HA 0.14 0.13 0.95 -0.75 4.34 4.80 1b5mA1 ARG 8 HB2 0.02 0.10 -0.15 -0.04 1.90 1.84 1b5mA1 ARG 8 HB3 0.04 -0.10 0.10 -0.04 1.80 1.80 1b5mA1 ARG 8 HG2 -0.05 -0.01 0.04 -0.04 1.67 1.61 1b5mA1 ARG 8 HG3 -0.03 -0.01 0.15 -0.04 1.67 1.73 1b5mA1 ARG 8 HD2 -0.24 0.04 -0.01 -0.04 3.22 2.97 1b5mA1 ARG 8 HD3 -0.53 0.02 -0.02 -0.04 3.22 2.65 1b5mA1 LEU 9 H 0.09 0.23 0.12 -0.55 8.37 8.26 1b5mA1 LEU 9 HA 0.09 0.09 0.39 -0.75 4.35 4.17 1b5mA1 LEU 9 HB2 0.05 0.00 0.13 -0.04 1.64 1.77 1b5mA1 LEU 9 HB3 0.05 0.10 0.04 -0.04 1.64 1.78 1b5mA1 LEU 9 HG 0.07 -0.03 0.08 -0.04 1.64 1.72 1b5mA1 LEU 9 HD13 0.04 0.04 0.02 -0.04 0.93 0.99 1b5mA1 LEU 9 HD23 0.07 -0.01 -0.04 -0.04 0.89 0.87 1b5mA1 GLU 10 H 0.04 0.06 -0.28 -0.55 8.60 7.89 1b5mA1 GLU 10 HA 0.03 0.11 0.30 -0.75 4.29 3.97 1b5mA1 GLU 10 HB2 0.01 0.02 0.06 -0.04 2.09 2.14 1b5mA1 GLU 10 HB3 0.03 -0.10 0.03 -0.04 1.99 1.91 1b5mA1 GLU 10 HG2 0.01 0.03 -0.04 -0.04 2.34 2.30 1b5mA1 GLU 10 HG3 0.00 0.02 -0.05 -0.04 2.34 2.28 1b5mA1 GLU 11 H 0.11 0.03 -0.09 -0.55 8.60 8.10 1b5mA1 GLU 11 HA 0.06 0.09 0.45 -0.75 4.29 4.14 1b5mA1 GLU 11 HB2 0.44 -0.00 -0.03 -0.04 2.09 2.45 1b5mA1 GLU 11 HB3 0.20 0.05 0.08 -0.04 1.99 2.28 1b5mA1 GLU 11 HG2 0.10 0.07 0.05 -0.04 2.34 2.51 1b5mA1 GLU 11 HG3 0.11 -0.12 0.14 -0.04 2.34 2.43 1b5mA1 VAL 12 H 0.19 0.56 -0.19 -0.55 8.24 8.25 1b5mA1 VAL 12 HA 0.46 -0.01 0.31 -0.75 4.13 4.13 1b5mA1 VAL 12 HB 0.13 0.12 0.10 -0.04 2.12 2.43 1b5mA1 VAL 12 HG13 0.18 -0.00 -0.17 -0.04 0.97 0.94 1b5mA1 VAL 12 HG23 0.15 -0.01 -0.21 -0.04 0.95 0.84 1b5mA1 ALA 13 H 0.06 0.70 -0.08 -0.55 8.40 8.54 1b5mA1 ALA 13 HA 0.01 0.00 0.27 -0.75 4.34 3.87 1b5mA1 ALA 13 HB3 0.01 0.01 0.06 -0.04 1.41 1.45 1b5mA1 LYS 14 H -0.06 0.43 -0.52 -0.55 8.42 7.71 1b5mA1 LYS 14 HA -0.08 0.05 0.60 -0.75 4.32 4.13 1b5mA1 LYS 14 HB2 -0.16 0.11 0.12 -0.04 1.87 1.90 1b5mA1 LYS 14 HB3 -0.12 -0.08 0.12 -0.04 1.79 1.67 1b5mA1 LYS 14 HG2 -0.05 -0.05 0.03 -0.04 1.46 1.35 1b5mA1 LYS 14 HG3 -0.03 0.16 0.04 -0.04 1.46 1.58 1b5mA1 LYS 14 HD2 -0.04 -0.04 0.01 -0.04 1.69 1.58 1b5mA1 LYS 14 HD3 -0.02 -0.06 -0.05 -0.04 1.68 1.51 1b5mA1 LYS 14 HE2 -0.01 0.21 0.28 -0.04 2.99 3.42 1b5mA1 LYS 14 HE3 -0.05 0.00 0.06 -0.04 2.99 2.96 1b5mA1 ARG 15 H -0.25 0.60 -0.18 -0.55 8.46 8.08 1b5mA1 ARG 15 HA -0.35 0.05 0.62 -0.75 4.34 3.91 1b5mA1 ARG 15 HB2 -0.54 0.19 0.21 -0.04 1.90 1.71 1b5mA1 ARG 15 HB3 -0.70 -0.12 0.12 -0.04 1.80 1.06 1b5mA1 ARG 15 HG2 -3.21 -0.07 -0.09 -0.04 1.67 -1.74 1b5mA1 ARG 15 HG3 -0.98 -0.01 -0.07 -0.04 1.67 0.57 1b5mA1 ARG 15 HD2 -0.75 0.12 0.04 -0.04 3.22 2.59 1b5mA1 ARG 15 HD3 -2.81 -0.07 -0.03 -0.04 3.22 0.27 1b5mA1 ASN 16 H -0.11 0.34 -0.35 -0.55 8.53 7.86 1b5mA1 ASN 16 HA -0.03 -0.02 0.36 -0.75 4.76 4.31 1b5mA1 ASN 16 HB2 -0.03 -0.04 0.11 -0.04 2.88 2.89 1b5mA1 ASN 16 HB3 -0.03 0.13 -0.01 -0.04 2.79 2.84 1b5mA1 ASN 16 HD21 -0.05 -0.05 0.04 -0.04 7.03 6.93 1b5mA1 ASN 16 HD22 -0.03 0.02 0.03 -0.04 7.74 7.71 1b5mA1 THR 17 H -0.09 0.22 -0.25 -0.55 8.28 7.61 1b5mA1 THR 17 HA -0.03 0.34 1.14 -0.75 4.39 5.09 1b5mA1 THR 17 HB -0.03 -0.39 0.16 -0.04 4.32 4.02 1b5mA1 THR 17 HG23 -0.03 0.03 -0.02 -0.04 1.22 1.16 1b5mA1 ALA 18 H -0.01 0.16 0.16 -0.55 8.40 8.17 1b5mA1 ALA 18 HA 0.01 0.13 0.42 -0.75 4.34 4.15 1b5mA1 ALA 18 HB3 -0.00 0.02 0.06 -0.04 1.41 1.45 1b5mA1 GLU 19 H -0.02 -0.03 -0.09 -0.55 8.60 7.92 1b5mA1 GLU 19 HA 0.00 0.11 0.44 -0.75 4.29 4.09 1b5mA1 GLU 19 HB2 -0.04 -0.06 0.07 -0.04 2.09 2.03 1b5mA1 GLU 19 HB3 -0.02 0.06 -0.03 -0.04 1.99 1.95 1b5mA1 GLU 19 HG2 -0.01 -0.07 0.04 -0.04 2.34 2.25 1b5mA1 GLU 19 HG3 -0.02 0.03 0.02 -0.04 2.34 2.34 1b5mA1 GLU 20 H -0.04 0.03 -0.54 -0.55 8.60 7.50 1b5mA1 GLU 20 HA 0.03 0.05 0.59 -0.75 4.29 4.20 1b5mA1 GLU 20 HB2 -0.09 -0.06 -0.29 -0.04 2.09 1.61 1b5mA1 GLU 20 HB3 -0.27 -0.02 -0.02 -0.04 1.99 1.64 1b5mA1 GLU 20 HG2 0.10 -0.02 -0.03 -0.04 2.34 2.35 1b5mA1 GLU 20 HG3 0.07 0.11 0.13 -0.04 2.34 2.61 1b5mA1 THR 21 H 0.11 0.04 0.10 -0.55 8.28 7.98 1b5mA1 THR 21 HA 0.05 0.42 1.09 -0.75 4.39 5.20 1b5mA1 THR 21 HB 0.09 -0.21 -0.06 -0.04 4.32 4.10 1b5mA1 THR 21 HG23 0.06 0.00 -0.16 -0.04 1.22 1.08 1b5mA1 TRP 22 H 0.18 0.51 0.43 -0.55 7.97 8.54 1b5mA1 TRP 22 HA -0.04 0.60 1.24 -0.75 4.62 5.66 1b5mA1 TRP 22 HB2 -0.07 0.09 0.14 -0.04 3.23 3.35 1b5mA1 TRP 22 HB3 -0.11 -0.08 0.13 -0.04 3.23 3.12 1b5mA1 TRP 22 HD1 -0.04 0.21 -0.95 -0.04 7.22 6.40 1b5mA1 TRP 22 HE1 -0.05 -0.02 -0.09 -0.04 10.20 10.00 1b5mA1 TRP 22 HE3 -0.21 -0.06 -0.04 -0.04 7.59 7.24 1b5mA1 TRP 22 HZ2 -0.05 0.01 -0.07 -0.04 7.44 7.29 1b5mA1 TRP 22 HZ3 -0.17 -0.09 -0.18 -0.04 7.13 6.65 1b5mA1 TRP 22 HH2 0.09 0.00 -0.08 -0.04 7.19 7.17 1b5mA1 MET 23 H 0.10 0.34 0.40 -0.55 8.47 8.77 1b5mA1 MET 23 HA 0.07 0.29 0.56 -0.75 4.52 4.68 1b5mA1 MET 23 HB2 0.03 0.00 -0.28 -0.04 2.15 1.86 1b5mA1 MET 23 HB3 0.02 -0.05 -0.18 -0.04 2.03 1.78 1b5mA1 MET 23 HG2 -0.06 -0.11 -0.15 -0.04 2.63 2.27 1b5mA1 MET 23 HG3 0.00 0.20 0.07 -0.04 2.56 2.80 1b5mA1 MET 23 HE3 -0.11 -0.01 -0.18 -0.04 2.10 1.75 1b5mA1 VAL 24 H 0.01 0.50 0.37 -0.55 8.24 8.58 1b5mA1 VAL 24 HA 0.00 0.47 1.12 -0.75 4.13 4.97 1b5mA1 VAL 24 HB 0.01 0.02 0.11 -0.04 2.12 2.22 1b5mA1 VAL 24 HG13 0.00 -0.05 -0.18 -0.04 0.97 0.71 1b5mA1 VAL 24 HG23 0.00 0.00 -0.30 -0.04 0.95 0.61 1b5mA1 ILE 25 H 0.14 0.72 0.19 -0.55 8.25 8.75 1b5mA1 ILE 25 HA -0.20 0.02 0.87 -0.75 4.18 4.12 1b5mA1 ILE 25 HB -0.14 0.09 0.00 -0.04 1.89 1.79 1b5mA1 ILE 25 HG12 -0.56 0.01 -0.21 -0.04 1.49 0.70 1b5mA1 ILE 25 HG13 -0.23 -0.08 -0.50 -0.04 1.21 0.36 1b5mA1 ILE 25 HG23 -0.82 0.01 -0.13 -0.04 0.93 -0.05 1b5mA1 ILE 25 HD13 -0.72 0.03 -0.17 -0.04 0.88 -0.02 1b5mA1 HIS 26 H -0.25 0.09 0.08 -0.55 8.41 7.78 1b5mA1 HIS 26 HA 0.01 0.03 0.33 -0.75 4.63 4.24 1b5mA1 HIS 26 HB2 -0.00 0.11 -0.14 -0.04 3.26 3.19 1b5mA1 HIS 26 HB3 0.01 0.06 0.16 -0.04 3.20 3.39 1b5mA1 HIS 26 HD2 0.01 0.04 -0.08 -0.04 6.97 6.89 1b5mA1 HIS 26 HE1 0.06 0.02 -0.02 -0.04 7.75 7.76 1b5mA1 GLY 27 H 0.05 -0.01 -0.23 -0.55 8.43 7.69 1b5mA1 GLY 27 HA2 0.03 -0.06 0.23 -0.51 4.01 3.70 1b5mA1 GLY 27 HA3 0.04 0.09 0.33 -0.51 4.01 3.96 1b5mA1 ARG 28 H -0.01 0.26 -0.22 -0.55 8.46 7.94 1b5mA1 ARG 28 HA -0.14 0.09 1.10 -0.75 4.34 4.64 1b5mA1 ARG 28 HB2 -0.07 0.04 0.06 -0.04 1.90 1.90 1b5mA1 ARG 28 HB3 -0.25 0.10 0.11 -0.04 1.80 1.73 1b5mA1 ARG 28 HG2 0.27 -0.03 -0.00 -0.04 1.67 1.87 1b5mA1 ARG 28 HG3 0.03 0.07 -0.03 -0.04 1.67 1.70 1b5mA1 ARG 28 HD2 0.05 0.22 -0.07 -0.04 3.22 3.38 1b5mA1 ARG 28 HD3 0.09 -0.03 -0.04 -0.04 3.22 3.20 1b5mA1 VAL 29 H -0.46 0.74 0.24 -0.55 8.24 8.21 1b5mA1 VAL 29 HA -0.28 0.30 0.99 -0.75 4.13 4.38 1b5mA1 VAL 29 HB -0.60 -0.02 -0.15 -0.04 2.12 1.31 1b5mA1 VAL 29 HG13 -0.62 0.01 -0.06 -0.04 0.97 0.26 1b5mA1 VAL 29 HG23 -0.13 -0.03 -0.30 -0.04 0.95 0.45 1b5mA1 TYR 30 H -0.19 0.34 0.41 -0.55 8.29 8.30 1b5mA1 TYR 30 HA -0.32 0.14 0.88 -0.75 4.56 4.50 1b5mA1 TYR 30 HB2 -0.12 -0.12 -0.13 -0.04 3.06 2.65 1b5mA1 TYR 30 HB3 -0.05 0.20 -0.13 -0.04 2.98 2.96 1b5mA1 TYR 30 HD2 -0.02 -0.01 -0.38 -0.04 7.15 6.70 1b5mA1 TYR 30 HE2 -0.03 -0.02 -0.08 -0.04 6.85 6.68 1b5mA1 ASP 31 H -0.04 0.73 0.24 -0.55 8.40 8.78 1b5mA1 ASP 31 HA 0.10 0.43 1.34 -0.75 4.63 5.75 1b5mA1 ASP 31 HB2 -0.23 -0.01 0.05 -0.04 2.71 2.48 1b5mA1 ASP 31 HB3 0.01 0.05 0.22 -0.04 2.70 2.94 1b5mA1 ILE 32 H 0.12 0.49 0.06 -0.55 8.25 8.37 1b5mA1 ILE 32 HA -0.16 0.10 0.46 -0.75 4.18 3.83 1b5mA1 ILE 32 HB 0.06 0.06 -0.18 -0.04 1.89 1.79 1b5mA1 ILE 32 HG12 -0.12 -0.01 -0.16 -0.04 1.49 1.16 1b5mA1 ILE 32 HG13 -0.06 -0.01 -0.29 -0.04 1.21 0.80 1b5mA1 ILE 32 HG23 0.04 -0.02 -0.08 -0.04 0.93 0.83 1b5mA1 ILE 32 HD13 0.05 0.04 -0.33 -0.04 0.88 0.60 1b5mA1 THR 33 H 0.15 0.23 -0.21 -0.55 8.28 7.90 1b5mA1 THR 33 HA 0.07 0.06 0.36 -0.75 4.39 4.13 1b5mA1 THR 33 HB 0.13 0.03 0.09 -0.04 4.32 4.53 1b5mA1 THR 33 HG23 0.06 0.09 -0.09 -0.04 1.22 1.25 1b5mA1 ARG 34 H 0.13 0.14 -0.25 -0.55 8.46 7.94 1b5mA1 ARG 34 HA 0.08 0.10 0.47 -0.75 4.34 4.23 1b5mA1 ARG 34 HB2 0.27 0.06 0.02 -0.04 1.90 2.21 1b5mA1 ARG 34 HB3 0.18 0.00 0.08 -0.04 1.80 2.03 1b5mA1 ARG 34 HG2 0.10 0.01 0.01 -0.04 1.67 1.75 1b5mA1 ARG 34 HG3 0.13 -0.06 0.02 -0.04 1.67 1.71 1b5mA1 ARG 34 HD2 0.10 -0.01 0.02 -0.04 3.22 3.29 1b5mA1 ARG 34 HD3 0.09 -0.00 0.02 -0.04 3.22 3.29 1b5mA1 PHE 35 H 0.04 0.59 -0.18 -0.55 8.34 8.24 1b5mA1 PHE 35 HA -0.10 0.12 0.63 -0.75 4.62 4.52 1b5mA1 PHE 35 HB2 -1.00 0.02 0.05 -0.04 3.15 2.19 1b5mA1 PHE 35 HB3 -0.33 0.06 0.10 -0.04 3.06 2.86 1b5mA1 PHE 35 HD2 -0.17 0.03 -0.07 -0.04 7.28 7.03 1b5mA1 PHE 35 HE2 -0.07 0.01 -0.10 -0.04 7.38 7.18 1b5mA1 PHE 35 HZ 0.20 -0.01 -0.10 -0.04 7.32 7.37 1b5mA1 LEU 36 H 0.00 0.39 -0.01 -0.55 8.37 8.21 1b5mA1 LEU 36 HA -0.11 0.03 0.38 -0.75 4.35 3.89 1b5mA1 LEU 36 HB2 -0.02 0.03 0.04 -0.04 1.64 1.64 1b5mA1 LEU 36 HB3 -0.03 -0.04 -0.03 -0.04 1.64 1.50 1b5mA1 LEU 36 HG 0.02 0.12 0.08 -0.04 1.64 1.82 1b5mA1 LEU 36 HD13 0.02 0.02 0.05 -0.04 0.93 0.98 1b5mA1 LEU 36 HD23 0.01 0.00 0.04 -0.04 0.89 0.90 1b5mA1 SER 37 H -0.09 0.16 -0.36 -0.55 8.46 7.63 1b5mA1 SER 37 HA -0.07 0.04 0.43 -0.75 4.49 4.13 1b5mA1 SER 37 HB2 -0.04 0.07 -0.02 -0.04 3.95 3.93 1b5mA1 SER 37 HB3 -0.04 0.00 -0.01 -0.04 3.93 3.84 1b5mA1 GLU 38 H -0.31 0.75 0.03 -0.55 8.60 8.52 1b5mA1 GLU 38 HA -0.12 0.07 0.58 -0.75 4.29 4.06 1b5mA1 GLU 38 HB2 -0.49 0.19 0.22 -0.04 2.09 1.97 1b5mA1 GLU 38 HB3 -0.09 -0.09 -0.04 -0.04 1.99 1.72 1b5mA1 GLU 38 HG2 0.16 -0.02 0.03 -0.04 2.34 2.47 1b5mA1 GLU 38 HG3 0.03 -0.03 0.03 -0.04 2.34 2.33 1b5mA1 HIS 39 H -0.78 0.27 -0.22 -0.55 8.41 7.14 1b5mA1 HIS 39 HA -0.54 -0.01 0.25 -0.75 4.63 3.57 1b5mA1 HIS 39 HB2 -0.53 -0.08 -0.05 -0.04 3.26 2.57 1b5mA1 HIS 39 HB3 -0.21 0.24 0.03 -0.04 3.20 3.21 1b5mA1 HIS 39 HD2 0.35 0.05 -0.02 -0.04 6.97 7.31 1b5mA1 HIS 39 HE1 0.16 0.09 -0.17 -0.04 7.75 7.79 1b5mA1 PRO 40 HA -0.17 0.11 0.39 -0.51 4.44 4.27 1b5mA1 PRO 40 HB2 -0.15 -0.00 0.06 -0.04 2.28 2.14 1b5mA1 PRO 40 HB3 -0.09 0.04 0.13 -0.04 2.02 2.05 1b5mA1 PRO 40 HG2 0.05 -0.04 0.08 -0.04 2.03 2.07 1b5mA1 PRO 40 HG3 0.01 0.11 0.12 -0.04 2.03 2.23 1b5mA1 PRO 40 HD2 0.19 -0.01 0.15 -0.04 3.68 3.97 1b5mA1 PRO 40 HD3 0.02 0.23 0.12 -0.04 3.65 3.98 1b5mA1 GLY 41 H -1.34 0.09 -0.16 -0.55 8.43 6.47 1b5mA1 GLY 41 HA2 -0.21 0.14 0.52 -0.51 4.01 3.95 1b5mA1 GLY 41 HA3 -0.30 -0.00 0.29 -0.51 4.01 3.49 1b5mA1 GLY 42 H -0.24 0.53 -0.59 -0.55 8.43 7.59 1b5mA1 GLY 42 HA2 -0.01 -0.01 0.33 -0.51 4.01 3.82 1b5mA1 GLY 42 HA3 0.07 0.17 1.08 -0.51 4.01 4.83 1b5mA1 GLU 43 H 0.02 0.09 0.20 -0.55 8.60 8.36 1b5mA1 GLU 43 HA 0.02 0.23 0.69 -0.75 4.29 4.47 1b5mA1 GLU 43 HB2 0.00 -0.04 0.10 -0.04 2.09 2.11 1b5mA1 GLU 43 HB3 -0.01 0.01 0.03 -0.04 1.99 1.98 1b5mA1 GLU 43 HG2 -0.02 0.01 -0.04 -0.04 2.34 2.25 1b5mA1 GLU 43 HG3 -0.03 0.20 -0.08 -0.04 2.34 2.40 1b5mA1 GLU 44 H 0.03 0.06 0.11 -0.55 8.60 8.26 1b5mA1 GLU 44 HA 0.02 0.13 0.41 -0.75 4.29 4.09 1b5mA1 GLU 44 HB2 0.02 0.05 -0.06 -0.04 2.09 2.06 1b5mA1 GLU 44 HB3 0.02 0.07 0.02 -0.04 1.99 2.06 1b5mA1 GLU 44 HG2 0.01 0.07 0.01 -0.04 2.34 2.39 1b5mA1 GLU 44 HG3 0.01 0.00 -0.00 -0.04 2.34 2.31 1b5mA1 VAL 45 H 0.07 0.10 -0.33 -0.55 8.24 7.54 1b5mA1 VAL 45 HA 0.05 0.17 0.55 -0.75 4.13 4.14 1b5mA1 VAL 45 HB 0.09 0.01 0.05 -0.04 2.12 2.23 1b5mA1 VAL 45 HG13 0.20 0.03 -0.22 -0.04 0.97 0.94 1b5mA1 VAL 45 HG23 0.08 0.02 -0.03 -0.04 0.95 0.97 1b5mA1 LEU 46 H 0.05 0.15 -0.35 -0.55 8.37 7.67 1b5mA1 LEU 46 HA 0.01 0.10 0.32 -0.75 4.35 4.03 1b5mA1 LEU 46 HB2 0.01 0.10 0.02 -0.04 1.64 1.73 1b5mA1 LEU 46 HB3 -0.00 -0.00 -0.09 -0.04 1.64 1.50 1b5mA1 LEU 46 HG -0.00 0.03 -0.10 -0.04 1.64 1.53 1b5mA1 LEU 46 HD13 -0.08 -0.01 -0.05 -0.04 0.93 0.75 1b5mA1 LEU 46 HD23 -0.19 -0.01 -0.18 -0.04 0.89 0.46 1b5mA1 LEU 47 H 0.02 0.34 -0.09 -0.55 8.37 8.09 1b5mA1 LEU 47 HA 0.01 0.06 0.33 -0.75 4.35 4.00 1b5mA1 LEU 47 HB2 0.01 -0.01 0.10 -0.04 1.64 1.70 1b5mA1 LEU 47 HB3 0.01 0.02 0.03 -0.04 1.64 1.65 1b5mA1 LEU 47 HG 0.01 0.04 0.05 -0.04 1.64 1.70 1b5mA1 LEU 47 HD13 0.00 -0.02 -0.04 -0.04 0.93 0.84 1b5mA1 LEU 47 HD23 0.01 -0.01 -0.15 -0.04 0.89 0.70 1b5mA1 GLU 48 H 0.02 0.03 -1.06 -0.55 8.60 7.05 1b5mA1 GLU 48 HA 0.01 -0.00 0.29 -0.75 4.29 3.84 1b5mA1 GLU 48 HB2 0.03 0.12 0.10 -0.04 2.09 2.30 1b5mA1 GLU 48 HB3 0.02 -0.07 -0.08 -0.04 1.99 1.83 1b5mA1 GLU 48 HG2 0.02 -0.06 0.06 -0.04 2.34 2.31 1b5mA1 GLU 48 HG3 0.02 0.01 0.06 -0.04 2.34 2.38 1b5mA1 GLN 49 H 0.02 0.80 -0.66 -0.55 8.47 8.08 1b5mA1 GLN 49 HA 0.02 0.24 0.82 -0.75 4.36 4.69 1b5mA1 GLN 49 HB2 0.02 -0.09 0.06 -0.04 2.15 2.09 1b5mA1 GLN 49 HB3 0.02 -0.13 0.10 -0.04 2.02 1.96 1b5mA1 GLN 49 HG2 0.02 0.19 -0.50 -0.04 2.40 2.07 1b5mA1 GLN 49 HG3 0.03 0.14 -0.15 -0.04 2.39 2.36 1b5mA1 GLN 49 HE21 0.02 -0.07 -0.03 -0.04 6.97 6.85 1b5mA1 GLN 49 HE22 0.02 0.10 -0.01 -0.04 7.69 7.75 1b5mA1 ALA 50 H 0.01 0.32 -0.01 -0.55 8.40 8.18 1b5mA1 ALA 50 HA 0.04 0.10 0.51 -0.75 4.34 4.23 1b5mA1 ALA 50 HB3 0.00 0.06 0.20 -0.04 1.41 1.64 1b5mA1 GLY 51 H 0.08 0.61 0.21 -0.55 8.43 8.78 1b5mA1 GLY 51 HA2 0.08 -0.03 0.07 -0.51 4.01 3.62 1b5mA1 GLY 51 HA3 0.02 0.11 0.31 -0.51 4.01 3.93 1b5mA1 ALA 52 H 0.03 0.52 -1.03 -0.55 8.40 7.37 1b5mA1 ALA 52 HA 0.03 0.04 0.46 -0.75 4.34 4.11 1b5mA1 ALA 52 HB3 0.02 0.07 0.01 -0.04 1.41 1.47 1b5mA1 ASP 53 H 0.02 0.21 0.13 -0.55 8.40 8.21 1b5mA1 ASP 53 HA -0.00 0.14 0.99 -0.75 4.63 5.00 1b5mA1 ASP 53 HB2 0.02 0.04 0.12 -0.04 2.71 2.85 1b5mA1 ASP 53 HB3 0.01 0.04 0.28 -0.04 2.70 2.99 1b5mA1 ALA 54 H -0.03 0.27 0.03 -0.55 8.40 8.12 1b5mA1 ALA 54 HA 0.00 0.16 0.63 -0.75 4.34 4.38 1b5mA1 ALA 54 HB3 -0.01 0.04 0.03 -0.04 1.41 1.42 1b5mA1 THR 55 H -0.07 0.15 -0.58 -0.55 8.28 7.24 1b5mA1 THR 55 HA -0.23 0.02 0.40 -0.75 4.39 3.83 1b5mA1 THR 55 HB -0.06 0.07 0.15 -0.04 4.32 4.44 1b5mA1 THR 55 HG23 -0.24 0.05 0.01 -0.04 1.22 0.99 1b5mA1 GLU 56 H 0.01 0.16 -0.05 -0.55 8.60 8.17 1b5mA1 GLU 56 HA 0.05 0.04 0.35 -0.75 4.29 3.98 1b5mA1 GLU 56 HB2 0.03 0.04 0.02 -0.04 2.09 2.15 1b5mA1 GLU 56 HB3 0.04 0.04 0.07 -0.04 1.99 2.10 1b5mA1 GLU 56 HG2 0.03 0.06 0.06 -0.04 2.34 2.45 1b5mA1 GLU 56 HG3 0.03 -0.09 0.11 -0.04 2.34 2.35 1b5mA1 SER 57 H 0.04 0.08 -0.36 -0.55 8.46 7.68 1b5mA1 SER 57 HA 0.08 0.07 1.12 -0.75 4.49 5.01 1b5mA1 SER 57 HB2 0.06 0.03 0.06 -0.04 3.95 4.06 1b5mA1 SER 57 HB3 0.04 -0.04 -0.01 -0.04 3.93 3.89 1b5mA1 PHE 58 H 0.16 0.62 -0.01 -0.55 8.34 8.56 1b5mA1 PHE 58 HA 0.02 0.04 0.34 -0.75 4.62 4.27 1b5mA1 PHE 58 HB2 -0.21 -0.04 -0.00 -0.04 3.15 2.86 1b5mA1 PHE 58 HB3 -0.16 0.12 0.07 -0.04 3.06 3.05 1b5mA1 PHE 58 HD2 -0.38 0.02 -0.19 -0.04 7.28 6.69 1b5mA1 PHE 58 HE2 -0.21 0.01 -0.13 -0.04 7.38 7.02 1b5mA1 PHE 58 HZ -0.10 -0.02 -0.21 -0.04 7.32 6.96 1b5mA1 GLU 59 H 0.18 0.54 -0.20 -0.55 8.60 8.57 1b5mA1 GLU 59 HA 0.09 0.07 0.69 -0.75 4.29 4.38 1b5mA1 GLU 59 HB2 0.13 0.06 0.06 -0.04 2.09 2.30 1b5mA1 GLU 59 HB3 0.12 -0.02 0.06 -0.04 1.99 2.12 1b5mA1 GLU 59 HG2 0.34 -0.03 -0.06 -0.04 2.34 2.54 1b5mA1 GLU 59 HG3 0.29 -0.05 -0.03 -0.04 2.34 2.51 1b5mA1 ASP 60 H 0.08 0.44 -0.27 -0.55 8.40 8.10 1b5mA1 ASP 60 HA 0.04 0.05 0.50 -0.75 4.63 4.47 1b5mA1 ASP 60 HB2 0.06 0.26 0.22 -0.04 2.71 3.20 1b5mA1 ASP 60 HB3 0.04 -0.02 0.06 -0.04 2.70 2.74 1b5mA1 VAL 61 H 0.05 0.14 -0.71 -0.55 8.24 7.17 1b5mA1 VAL 61 HA -0.01 0.08 0.66 -0.75 4.13 4.10 1b5mA1 VAL 61 HB 0.15 0.07 -0.04 -0.04 2.12 2.26 1b5mA1 VAL 61 HG13 -0.13 0.01 -0.07 -0.04 0.97 0.73 1b5mA1 VAL 61 HG23 0.09 -0.00 -0.11 -0.04 0.95 0.89 1b5mA1 GLY 62 H -0.01 0.16 -0.30 -0.55 8.43 7.73 1b5mA1 GLY 62 HA2 -0.05 0.00 0.42 -0.51 4.01 3.88 1b5mA1 GLY 62 HA3 -0.07 0.01 0.34 -0.51 4.01 3.78 1b5mA1 HIS 63 H -0.12 0.25 0.19 -0.55 8.41 8.18 1b5mA1 HIS 63 HA -0.19 0.19 0.87 -0.75 4.63 4.74 1b5mA1 HIS 63 HB2 -1.31 0.01 0.02 -0.04 3.26 1.94 1b5mA1 HIS 63 HB3 -0.36 -0.11 0.02 -0.04 3.20 2.70 1b5mA1 HIS 63 HD2 -0.56 0.27 -0.28 -0.04 6.97 6.36 1b5mA1 HIS 63 HE1 0.34 -0.05 -0.07 -0.04 7.75 7.92 1b5mA1 SER 64 H -0.01 0.10 0.09 -0.55 8.46 8.09 1b5mA1 SER 64 HA 0.01 0.20 0.45 -0.75 4.49 4.39 1b5mA1 SER 64 HB2 0.01 0.09 0.19 -0.04 3.95 4.20 1b5mA1 SER 64 HB3 -0.01 0.13 0.14 -0.04 3.93 4.15 1b5mA1 PRO 65 HA 0.05 0.21 0.63 -0.51 4.44 4.83 1b5mA1 PRO 65 HB2 0.02 0.04 -0.04 -0.04 2.28 2.27 1b5mA1 PRO 65 HB3 0.03 0.09 0.11 -0.04 2.02 2.20 1b5mA1 PRO 65 HG2 0.02 0.05 0.10 -0.04 2.03 2.15 1b5mA1 PRO 65 HG3 0.02 0.10 0.08 -0.04 2.03 2.19 1b5mA1 PRO 65 HD2 0.02 0.09 0.25 -0.04 3.68 4.00 1b5mA1 PRO 65 HD3 0.02 0.22 0.12 -0.04 3.65 3.97 1b5mA1 ASP 66 H 0.04 0.16 -0.03 -0.55 8.40 8.02 1b5mA1 ASP 66 HA 0.04 0.16 0.46 -0.75 4.63 4.53 1b5mA1 ASP 66 HB2 0.04 0.01 0.05 -0.04 2.71 2.77 1b5mA1 ASP 66 HB3 0.04 0.08 0.05 -0.04 2.70 2.83 1b5mA1 ALA 67 H 0.08 0.06 -0.34 -0.55 8.40 7.66 1b5mA1 ALA 67 HA 0.12 0.13 0.40 -0.75 4.34 4.23 1b5mA1 ALA 67 HB3 0.20 0.05 -0.02 -0.04 1.41 1.60 1b5mA1 ARG 68 H 0.10 0.17 -0.67 -0.55 8.46 7.50 1b5mA1 ARG 68 HA 0.11 0.07 0.40 -0.75 4.34 4.17 1b5mA1 ARG 68 HB2 0.08 0.08 0.21 -0.04 1.90 2.24 1b5mA1 ARG 68 HB3 0.07 -0.01 -0.03 -0.04 1.80 1.78 1b5mA1 ARG 68 HG2 0.21 -0.04 -0.02 -0.04 1.67 1.78 1b5mA1 ARG 68 HG3 0.30 -0.05 -0.09 -0.04 1.67 1.79 1b5mA1 ARG 68 HD2 0.09 -0.10 -0.02 -0.04 3.22 3.15 1b5mA1 ARG 68 HD3 0.13 -0.05 -0.03 -0.04 3.22 3.22 1b5mA1 GLU 69 H 0.04 0.41 -0.20 -0.55 8.60 8.31 1b5mA1 GLU 69 HA -0.01 0.07 0.44 -0.75 4.29 4.04 1b5mA1 GLU 69 HB2 0.02 0.10 0.16 -0.04 2.09 2.34 1b5mA1 GLU 69 HB3 0.00 -0.01 -0.02 -0.04 1.99 1.93 1b5mA1 GLU 69 HG2 -0.00 -0.01 0.02 -0.04 2.34 2.31 1b5mA1 GLU 69 HG3 0.01 -0.02 0.02 -0.04 2.34 2.30 1b5mA1 MET 70 H 0.02 0.21 -0.52 -0.55 8.47 7.64 1b5mA1 MET 70 HA 0.02 0.05 0.34 -0.75 4.52 4.17 1b5mA1 MET 70 HB2 -0.01 0.22 0.06 -0.04 2.15 2.37 1b5mA1 MET 70 HB3 0.03 -0.04 -0.01 -0.04 2.03 1.98 1b5mA1 MET 70 HG2 0.07 -0.02 0.02 -0.04 2.63 2.66 1b5mA1 MET 70 HG3 0.08 0.05 0.09 -0.04 2.56 2.75 1b5mA1 MET 70 HE3 0.25 0.00 -0.03 -0.04 2.10 2.28 1b5mA1 LEU 71 H -0.06 0.20 -0.67 -0.55 8.37 7.29 1b5mA1 LEU 71 HA -0.25 -0.00 0.35 -0.75 4.35 3.69 1b5mA1 LEU 71 HB2 -0.15 0.07 0.15 -0.04 1.64 1.66 1b5mA1 LEU 71 HB3 -0.17 0.14 0.03 -0.04 1.64 1.60 1b5mA1 LEU 71 HG -1.10 -0.02 -0.09 -0.04 1.64 0.40 1b5mA1 LEU 71 HD13 -0.65 -0.02 -0.07 -0.04 0.93 0.16 1b5mA1 LEU 71 HD23 -0.49 -0.01 -0.07 -0.04 0.89 0.27 1b5mA1 LYS 72 H -0.05 0.35 -0.46 -0.55 8.42 7.71 1b5mA1 LYS 72 HA 0.01 0.01 0.31 -0.75 4.32 3.89 1b5mA1 LYS 72 HB2 -0.06 0.10 0.04 -0.04 1.87 1.91 1b5mA1 LYS 72 HB3 -0.08 -0.05 0.11 -0.04 1.79 1.74 1b5mA1 LYS 72 HG2 -0.05 0.00 0.07 -0.04 1.46 1.45 1b5mA1 LYS 72 HG3 -0.04 0.01 0.11 -0.04 1.46 1.50 1b5mA1 LYS 72 HD2 -0.08 -0.02 0.02 -0.04 1.69 1.57 1b5mA1 LYS 72 HD3 -0.14 -0.02 0.01 -0.04 1.68 1.49 1b5mA1 LYS 72 HE2 -0.06 0.00 -0.03 -0.04 2.99 2.86 1b5mA1 LYS 72 HE3 -0.04 -0.00 -0.02 -0.04 2.99 2.88 1b5mA1 GLN 73 H -0.13 0.42 -0.57 -0.55 8.47 7.64 1b5mA1 GLN 73 HA -0.16 0.21 0.83 -0.75 4.36 4.48 1b5mA1 GLN 73 HB2 -0.51 0.08 0.07 -0.04 2.15 1.76 1b5mA1 GLN 73 HB3 -0.54 -0.03 0.15 -0.04 2.02 1.55 1b5mA1 GLN 73 HG2 -0.15 -0.04 0.01 -0.04 2.40 2.18 1b5mA1 GLN 73 HG3 -0.14 0.01 -0.00 -0.04 2.39 2.23 1b5mA1 GLN 73 HE21 -0.05 0.00 -0.06 -0.04 6.97 6.82 1b5mA1 GLN 73 HE22 -0.06 -0.02 -0.06 -0.04 7.69 7.52 1b5mA1 TYR 74 H 0.07 0.57 -0.23 -0.55 8.29 8.15 1b5mA1 TYR 74 HA 0.02 0.30 1.11 -0.75 4.56 5.24 1b5mA1 TYR 74 HB2 -0.11 -0.03 -0.04 -0.04 3.06 2.84 1b5mA1 TYR 74 HB3 -0.01 0.10 0.03 -0.04 2.98 3.06 1b5mA1 TYR 74 HD2 -0.12 0.09 -0.01 -0.04 7.15 7.06 1b5mA1 TYR 74 HE2 -0.06 -0.01 -0.10 -0.04 6.85 6.64 1b5mA1 TYR 75 H 0.26 0.23 -0.22 -0.55 8.29 8.01 1b5mA1 TYR 75 HA -0.04 0.09 0.71 -0.75 4.56 4.57 1b5mA1 TYR 75 HB2 0.25 0.03 0.07 -0.04 3.06 3.37 1b5mA1 TYR 75 HB3 0.00 0.12 0.13 -0.04 2.98 3.19 1b5mA1 TYR 75 HD2 -0.41 0.03 -0.04 -0.04 7.15 6.69 1b5mA1 TYR 75 HE2 -0.20 0.00 -0.05 -0.04 6.85 6.55 1b5mA1 ILE 76 H -0.80 0.56 0.38 -0.55 8.25 7.84 1b5mA1 ILE 76 HA -0.39 0.41 1.40 -0.75 4.18 4.85 1b5mA1 ILE 76 HB -0.43 -0.02 0.07 -0.04 1.89 1.47 1b5mA1 ILE 76 HG12 -0.80 -0.06 -0.29 -0.04 1.49 0.30 1b5mA1 ILE 76 HG13 -1.00 -0.02 -0.31 -0.04 1.21 -0.16 1b5mA1 ILE 76 HG23 -0.28 0.02 -0.21 -0.04 0.93 0.43 1b5mA1 ILE 76 HD13 -1.90 -0.01 -0.17 -0.04 0.88 -1.24 1b5mA1 GLY 77 H -1.35 0.31 0.30 -0.55 8.43 7.14 1b5mA1 GLY 77 HA2 -0.63 0.04 0.34 -0.51 4.01 3.25 1b5mA1 GLY 77 HA3 -0.31 0.15 0.56 -0.51 4.01 3.90 1b5mA1 ASP 78 H -0.41 0.58 0.34 -0.55 8.40 8.37 1b5mA1 ASP 78 HA -0.18 0.09 1.25 -0.75 4.63 5.04 1b5mA1 ASP 78 HB2 -0.40 0.07 0.03 -0.04 2.71 2.37 1b5mA1 ASP 78 HB3 -0.11 0.27 0.32 -0.04 2.70 3.14 1b5mA1 VAL 79 H -0.02 0.39 0.03 -0.55 8.24 8.08 1b5mA1 VAL 79 HA 0.12 -0.04 0.29 -0.75 4.13 3.74 1b5mA1 VAL 79 HB 0.08 0.07 -0.04 -0.04 2.12 2.18 1b5mA1 VAL 79 HG13 0.11 0.01 -0.08 -0.04 0.97 0.96 1b5mA1 VAL 79 HG23 0.02 -0.00 -0.22 -0.04 0.95 0.70 1b5mA1 HIS 80 H 0.29 0.26 0.27 -0.55 8.41 8.69 1b5mA1 HIS 80 HA 0.27 0.16 0.54 -0.75 4.63 4.85 1b5mA1 HIS 80 HB2 0.10 0.52 0.30 -0.04 3.26 4.14 1b5mA1 HIS 80 HB3 0.05 -0.18 0.18 -0.04 3.20 3.21 1b5mA1 HIS 80 HD2 -0.03 -0.35 -0.06 -0.04 6.97 6.48 1b5mA1 HIS 80 HE1 -0.10 0.04 -0.01 -0.04 7.75 7.64 1b5mA1 PRO 81 HA 0.06 0.11 0.41 -0.51 4.44 4.51 1b5mA1 PRO 81 HB2 -0.06 0.06 -0.04 -0.04 2.28 2.20 1b5mA1 PRO 81 HB3 -0.05 0.07 0.12 -0.04 2.02 2.13 1b5mA1 PRO 81 HG2 -0.45 0.01 0.11 -0.04 2.03 1.65 1b5mA1 PRO 81 HG3 -0.42 0.10 0.10 -0.04 2.03 1.77 1b5mA1 PRO 81 HD2 -1.20 0.06 0.25 -0.04 3.68 2.75 1b5mA1 PRO 81 HD3 -0.39 0.27 0.23 -0.04 3.65 3.72 1b5mA1 ASN 82 H 0.26 0.09 -0.24 -0.55 8.53 8.10 1b5mA1 ASN 82 HA 0.07 0.15 0.39 -0.75 4.76 4.61 1b5mA1 ASN 82 HB2 0.18 -0.06 -0.01 -0.04 2.88 2.95 1b5mA1 ASN 82 HB3 0.06 0.04 0.09 -0.04 2.79 2.94 1b5mA1 ASN 82 HD21 0.03 0.01 -0.01 -0.04 7.03 7.02 1b5mA1 ASN 82 HD22 0.04 0.05 0.02 -0.04 7.74 7.81 1b5mA1 ASP 83 H 0.17 0.63 -0.62 -0.55 8.40 8.03 1b5mA1 ASP 83 HA 0.06 0.11 0.69 -0.75 4.63 4.73 1b5mA1 ASP 83 HB2 0.15 0.07 0.17 -0.04 2.71 3.06 1b5mA1 ASP 83 HB3 0.08 -0.08 0.06 -0.04 2.70 2.73 1b5mA1 LEU 84 H 0.09 0.28 -0.03 -0.55 8.37 8.17 1b5mA1 LEU 84 HA 0.06 -0.11 0.29 -0.75 4.35 3.84 1b5mA1 LEU 84 HB2 0.05 0.25 0.16 -0.04 1.64 2.06 1b5mA1 LEU 84 HB3 0.05 -0.04 -0.08 -0.04 1.64 1.52 1b5mA1 LEU 84 HG 0.08 -0.08 -0.01 -0.04 1.64 1.59 1b5mA1 LEU 84 HD13 0.05 -0.00 -0.01 -0.04 0.93 0.93 1b5mA1 LEU 84 HD23 0.07 -0.01 -0.07 -0.04 0.89 0.83 1b5mA1 LYS 85 H 0.04 0.03 0.12 -0.55 8.42 8.06 1b5mA1 LYS 85 HA 0.03 0.46 1.52 -0.75 4.32 5.57 1b5mA1 LYS 85 HB2 0.03 -0.04 0.04 -0.04 1.87 1.86 1b5mA1 LYS 85 HB3 0.03 0.11 -0.00 -0.04 1.79 1.89 1b5mA1 LYS 85 HG2 0.04 -0.09 0.15 -0.04 1.46 1.52 1b5mA1 LYS 85 HG3 0.03 -0.03 0.08 -0.04 1.46 1.50 1b5mA1 LYS 85 HD2 0.03 -0.01 0.03 -0.04 1.69 1.69 1b5mA1 LYS 85 HD3 0.03 0.16 0.02 -0.04 1.68 1.85 1b5mA1 LYS 85 HE2 0.03 -0.06 0.04 -0.04 2.99 2.96 1b5mA1 LYS 85 HE3 0.03 -0.02 0.04 -0.04 2.99 3.00 1b5mA1 PRO 86 HA 0.02 0.20 0.64 -0.51 4.44 4.80 1b5mA1 PRO 86 HB2 0.02 0.04 0.02 -0.04 2.28 2.32 1b5mA1 PRO 86 HB3 0.02 0.02 0.01 -0.04 2.02 2.03 1b5mA1 PRO 86 HG2 0.02 0.06 -0.17 -0.04 2.03 1.91 1b5mA1 PRO 86 HG3 0.02 0.03 -0.25 -0.04 2.03 1.79 1b5mA1 PRO 86 HD2 0.03 0.53 -1.07 -0.04 3.68 3.13 1b5mA1 PRO 86 HD3 0.03 0.18 -1.28 -0.04 3.65 2.54