============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 7 rings ring int. center anis. iso. HIS 2 0.900 0.129 -5.849 8.358 -99.200 -91.000 TYR 14 0.840 1.977 1.936 -6.013 -99.200 -91.000 TYR 21 0.840 -2.040 5.355 4.950 -99.200 -91.000 HIS 32 0.900 -4.714 -8.704 4.628 -99.200 -91.000 TYR 36 0.840 7.027 1.705 2.988 -99.200 -91.000 TRP 41 1.040 3.380 14.048 0.354 -99.200 -91.000 TRP6 41 1.020 3.081 12.915 2.451 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1wmtA11 VAL 1 HA 0.01 -0.04 0.17 -0.75 4.13 3.51 1wmtA11 VAL 1 HB -0.00 -0.00 -0.23 -0.04 2.12 1.84 1wmtA11 VAL 1 HG13 0.00 0.02 -0.07 -0.04 0.97 0.88 1wmtA11 VAL 1 HG23 -0.62 -0.05 -0.05 -0.04 0.95 0.19 1wmtA11 HIS 2 H 0.13 0.15 0.05 -0.55 8.41 8.20 1wmtA11 HIS 2 HA 0.04 0.12 0.63 -0.75 4.63 4.67 1wmtA11 HIS 2 HB2 0.02 -0.05 0.16 -0.04 3.26 3.35 1wmtA11 HIS 2 HB3 0.01 -0.02 0.24 -0.04 3.20 3.39 1wmtA11 HIS 2 HD2 0.01 -0.05 -0.01 -0.04 6.97 6.89 1wmtA11 HIS 2 HE1 0.04 0.10 -0.09 -0.04 7.75 7.76 1wmtA11 THR 3 H 0.12 0.50 0.51 -0.55 8.28 8.86 1wmtA11 THR 3 HA 0.13 0.08 0.56 -0.75 4.39 4.41 1wmtA11 THR 3 HB 0.15 -0.09 0.14 -0.04 4.32 4.48 1wmtA11 THR 3 HG23 0.21 0.00 -0.08 -0.04 1.22 1.32 1wmtA11 ASN 4 H 0.09 0.12 0.12 -0.55 8.53 8.32 1wmtA11 ASN 4 HA -0.00 0.28 0.77 -0.75 4.76 5.06 1wmtA11 ASN 4 HB2 -0.03 0.00 0.06 -0.04 2.88 2.87 1wmtA11 ASN 4 HB3 0.03 -0.03 0.13 -0.04 2.79 2.88 1wmtA11 ASN 4 HD21 0.01 -0.03 0.07 -0.04 7.03 7.03 1wmtA11 ASN 4 HD22 -0.04 0.00 0.05 -0.04 7.74 7.71 1wmtA11 ILE 5 H 0.17 0.02 -0.44 -0.55 8.25 7.45 1wmtA11 ILE 5 HA 0.11 0.15 0.53 -0.75 4.18 4.22 1wmtA11 ILE 5 HB 0.11 -0.16 0.11 -0.04 1.89 1.91 1wmtA11 ILE 5 HG12 0.10 0.06 -0.01 -0.04 1.49 1.60 1wmtA11 ILE 5 HG13 0.14 -0.10 0.05 -0.04 1.21 1.25 1wmtA11 ILE 5 HG23 0.06 0.04 -0.04 -0.04 0.93 0.94 1wmtA11 ILE 5 HD13 0.12 0.01 -0.02 -0.04 0.88 0.95 1wmtA11 PRO 6 HA -0.19 0.49 0.63 -0.51 4.44 4.86 1wmtA11 PRO 6 HB2 -0.02 -0.03 0.09 -0.04 2.28 2.28 1wmtA11 PRO 6 HB3 0.01 0.07 0.15 -0.04 2.02 2.20 1wmtA11 PRO 6 HG2 0.02 -0.03 0.17 -0.04 2.03 2.15 1wmtA11 PRO 6 HG3 0.05 0.04 0.15 -0.04 2.03 2.23 1wmtA11 PRO 6 HD2 0.05 0.00 0.23 -0.04 3.68 3.93 1wmtA11 PRO 6 HD3 0.10 0.27 0.37 -0.04 3.65 4.35 1wmtA11 CYS 7 H -0.15 0.51 -0.24 -0.55 8.50 8.07 1wmtA11 CYS 7 HA -0.02 0.17 0.61 -0.75 4.58 4.59 1wmtA11 CYS 7 HB2 0.01 -0.28 -0.01 -0.04 2.97 2.65 1wmtA11 CYS 7 HB3 0.02 0.06 -0.34 -0.04 2.97 2.67 1wmtA11 ARG 8 H -0.00 -0.03 0.06 -0.55 8.46 7.94 1wmtA11 ARG 8 HA -0.03 0.19 0.79 -0.75 4.34 4.55 1wmtA11 ARG 8 HB2 -0.01 0.05 0.04 -0.04 1.90 1.94 1wmtA11 ARG 8 HB3 -0.01 0.01 -0.15 -0.04 1.80 1.61 1wmtA11 ARG 8 HG2 0.01 -0.19 0.02 -0.04 1.67 1.47 1wmtA11 ARG 8 HG3 0.00 0.01 -0.39 -0.04 1.67 1.25 1wmtA11 ARG 8 HD2 -0.00 0.03 -0.05 -0.04 3.22 3.16 1wmtA11 ARG 8 HD3 0.00 0.03 -0.05 -0.04 3.22 3.16 1wmtA11 GLY 9 H 0.01 0.03 0.14 -0.55 8.43 8.07 1wmtA11 GLY 9 HA2 0.01 0.30 0.91 -0.51 4.01 4.72 1wmtA11 GLY 9 HA3 0.01 0.08 0.25 -0.51 4.01 3.84 1wmtA11 THR 10 H 0.01 0.30 0.17 -0.55 8.28 8.22 1wmtA11 THR 10 HA 0.07 0.01 0.31 -0.75 4.39 4.02 1wmtA11 THR 10 HB -0.03 0.03 0.19 -0.04 4.32 4.47 1wmtA11 THR 10 HG23 -0.06 0.02 -0.15 -0.04 1.22 0.98 1wmtA11 SER 11 H -0.00 0.15 -0.13 -0.55 8.46 7.93 1wmtA11 SER 11 HA -0.02 0.08 0.34 -0.75 4.49 4.14 1wmtA11 SER 11 HB2 -0.03 -0.01 0.12 -0.04 3.95 3.98 1wmtA11 SER 11 HB3 0.04 0.05 0.14 -0.04 3.93 4.12 1wmtA11 ASP 12 H 0.25 0.71 -0.55 -0.55 8.40 8.27 1wmtA11 ASP 12 HA 0.09 0.12 0.51 -0.75 4.63 4.60 1wmtA11 ASP 12 HB2 0.06 0.01 -0.48 -0.04 2.71 2.26 1wmtA11 ASP 12 HB3 0.05 -0.07 -0.02 -0.04 2.70 2.62 1wmtA11 CYS 13 H 0.12 0.39 0.23 -0.55 8.50 8.69 1wmtA11 CYS 13 HA 0.05 0.21 0.54 -0.75 4.58 4.62 1wmtA11 CYS 13 HB2 0.05 0.04 -0.11 -0.04 2.97 2.91 1wmtA11 CYS 13 HB3 0.08 -0.08 -0.26 -0.04 2.97 2.67 1wmtA11 TYR 14 H 0.32 0.32 -0.04 -0.55 8.29 8.34 1wmtA11 TYR 14 HA 0.01 0.10 0.61 -0.75 4.56 4.53 1wmtA11 TYR 14 HB2 -0.02 -0.31 0.06 -0.04 3.06 2.75 1wmtA11 TYR 14 HB3 0.00 0.19 0.04 -0.04 2.98 3.17 1wmtA11 TYR 14 HD2 -0.01 -0.09 0.08 -0.04 7.15 7.09 1wmtA11 TYR 14 HE2 -0.00 0.07 -0.09 -0.04 6.85 6.79 1wmtA11 GLU 15 H -0.19 0.28 -0.47 -0.55 8.60 7.66 1wmtA11 GLU 15 HA -0.54 0.08 0.46 -0.75 4.29 3.54 1wmtA11 GLU 15 HB2 -0.15 0.19 0.10 -0.04 2.09 2.19 1wmtA11 GLU 15 HB3 -0.15 0.02 -0.02 -0.04 1.99 1.81 1wmtA11 GLU 15 HG2 -0.22 0.02 0.00 -0.04 2.34 2.11 1wmtA11 GLU 15 HG3 -0.60 -0.09 -0.09 -0.04 2.34 1.52 1wmtA11 PRO 16 HA -0.02 0.12 0.34 -0.51 4.44 4.36 1wmtA11 PRO 16 HB2 0.04 0.02 -0.04 -0.04 2.28 2.26 1wmtA11 PRO 16 HB3 0.01 0.08 0.07 -0.04 2.02 2.14 1wmtA11 PRO 16 HG2 0.05 0.22 0.03 -0.04 2.03 2.28 1wmtA11 PRO 16 HG3 0.03 0.05 0.05 -0.04 2.03 2.12 1wmtA11 PRO 16 HD2 -0.05 -0.34 -0.59 -0.04 3.68 2.66 1wmtA11 PRO 16 HD3 -0.04 0.25 0.07 -0.04 3.65 3.90 1wmtA11 CYS 17 H 0.01 0.17 -0.81 -0.55 8.50 7.32 1wmtA11 CYS 17 HA 0.37 0.06 0.50 -0.75 4.58 4.76 1wmtA11 CYS 17 HB2 0.09 0.03 0.05 -0.04 2.97 3.10 1wmtA11 CYS 17 HB3 0.08 0.05 0.02 -0.04 2.97 3.08 1wmtA11 GLU 18 H -0.03 0.41 -0.23 -0.55 8.60 8.21 1wmtA11 GLU 18 HA 0.10 -0.13 0.40 -0.75 4.29 3.91 1wmtA11 GLU 18 HB2 -0.04 0.10 0.07 -0.04 2.09 2.18 1wmtA11 GLU 18 HB3 0.03 0.06 -0.03 -0.04 1.99 2.01 1wmtA11 GLU 18 HG2 0.01 -0.19 0.04 -0.04 2.34 2.16 1wmtA11 GLU 18 HG3 -0.21 0.21 0.31 -0.04 2.34 2.61 1wmtA11 LYS 19 H -0.02 0.45 -0.04 -0.55 8.42 8.25 1wmtA11 LYS 19 HA -0.00 0.09 0.40 -0.75 4.32 4.06 1wmtA11 LYS 19 HB2 -0.03 -0.03 0.08 -0.04 1.87 1.84 1wmtA11 LYS 19 HB3 -0.03 0.02 0.02 -0.04 1.79 1.76 1wmtA11 LYS 19 HG2 -0.02 0.02 0.02 -0.04 1.46 1.44 1wmtA11 LYS 19 HG3 -0.04 -0.01 0.04 -0.04 1.46 1.40 1wmtA11 LYS 19 HD2 -0.04 -0.02 -0.04 -0.04 1.69 1.55 1wmtA11 LYS 19 HD3 -0.04 -0.03 -0.09 -0.04 1.68 1.48 1wmtA11 LYS 19 HE2 -0.03 0.02 -0.01 -0.04 2.99 2.93 1wmtA11 LYS 19 HE3 -0.02 0.01 -0.01 -0.04 2.99 2.93 1wmtA11 LYS 20 H -0.01 0.16 -0.60 -0.55 8.42 7.42 1wmtA11 LYS 20 HA -0.15 0.16 0.72 -0.75 4.32 4.29 1wmtA11 LYS 20 HB2 -0.11 0.58 0.29 -0.04 1.87 2.59 1wmtA11 LYS 20 HB3 -0.77 -0.12 0.13 -0.04 1.79 1.00 1wmtA11 LYS 20 HG2 -0.21 -0.07 0.01 -0.04 1.46 1.14 1wmtA11 LYS 20 HG3 -0.28 0.01 0.02 -0.04 1.46 1.17 1wmtA11 LYS 20 HD2 -0.08 -0.03 -0.02 -0.04 1.69 1.52 1wmtA11 LYS 20 HD3 -0.10 0.08 -0.12 -0.04 1.68 1.50 1wmtA11 LYS 20 HE2 -0.05 -0.01 -0.02 -0.04 2.99 2.87 1wmtA11 LYS 20 HE3 -0.04 -0.06 0.04 -0.04 2.99 2.89 1wmtA11 TYR 21 H 0.01 0.08 0.20 -0.55 8.29 8.02 1wmtA11 TYR 21 HA 0.11 0.12 0.46 -0.75 4.56 4.49 1wmtA11 TYR 21 HB2 0.06 -0.07 0.17 -0.04 3.06 3.18 1wmtA11 TYR 21 HB3 0.13 -0.01 0.17 -0.04 2.98 3.24 1wmtA11 TYR 21 HD2 0.05 -0.01 0.10 -0.04 7.15 7.25 1wmtA11 TYR 21 HE2 0.03 0.01 -0.03 -0.04 6.85 6.82 1wmtA11 ASN 22 H 0.13 0.09 -1.01 -0.55 8.53 7.19 1wmtA11 ASN 22 HA 0.20 0.18 0.45 -0.75 4.76 4.83 1wmtA11 ASN 22 HB2 0.31 -0.08 0.20 -0.04 2.88 3.27 1wmtA11 ASN 22 HB3 0.10 0.04 0.05 -0.04 2.79 2.94 1wmtA11 ASN 22 HD21 -0.02 0.04 -0.08 -0.04 7.03 6.92 1wmtA11 ASN 22 HD22 -0.07 -0.07 -0.10 -0.04 7.74 7.47 1wmtA11 CYS 23 H 0.23 -0.03 -0.64 -0.55 8.50 7.52 1wmtA11 CYS 23 HA -0.29 0.22 0.83 -0.75 4.58 4.58 1wmtA11 CYS 23 HB2 -0.26 0.07 -0.01 -0.04 2.97 2.73 1wmtA11 CYS 23 HB3 0.17 -0.03 -0.03 -0.04 2.97 3.04 1wmtA11 ALA 24 H 0.08 -0.03 -0.36 -0.55 8.40 7.54 1wmtA11 ALA 24 HA 0.11 0.00 0.19 -0.75 4.34 3.89 1wmtA11 ALA 24 HB3 0.12 0.07 -0.06 -0.04 1.41 1.50 1wmtA11 ARG 25 H 0.13 0.12 0.13 -0.55 8.46 8.29 1wmtA11 ARG 25 HA -0.06 0.01 0.36 -0.75 4.34 3.89 1wmtA11 ARG 25 HB2 -0.16 -0.04 0.19 -0.04 1.90 1.85 1wmtA11 ARG 25 HB3 0.02 0.01 0.08 -0.04 1.80 1.87 1wmtA11 ARG 25 HG2 -0.10 -0.09 -0.38 -0.04 1.67 1.07 1wmtA11 ARG 25 HG3 -0.19 -0.00 -0.33 -0.04 1.67 1.10 1wmtA11 ARG 25 HD2 -0.11 0.04 -0.07 -0.04 3.22 3.04 1wmtA11 ARG 25 HD3 -0.04 -0.04 -0.02 -0.04 3.22 3.08 1wmtA11 ALA 26 H 0.08 -0.06 -0.15 -0.55 8.40 7.72 1wmtA11 ALA 26 HA -0.26 0.19 0.76 -0.75 4.34 4.28 1wmtA11 ALA 26 HB3 0.06 -0.05 -0.16 -0.04 1.41 1.23 1wmtA11 LYS 27 H 0.08 0.17 0.00 -0.55 8.42 8.12 1wmtA11 LYS 27 HA 0.06 0.02 0.83 -0.75 4.32 4.48 1wmtA11 LYS 27 HB2 0.20 0.12 -0.08 -0.04 1.87 2.07 1wmtA11 LYS 27 HB3 0.03 -0.03 0.06 -0.04 1.79 1.81 1wmtA11 LYS 27 HG2 -0.00 -0.05 -0.07 -0.04 1.46 1.30 1wmtA11 LYS 27 HG3 0.02 0.02 0.05 -0.04 1.46 1.51 1wmtA11 LYS 27 HD2 -0.09 0.05 -0.06 -0.04 1.69 1.54 1wmtA11 LYS 27 HD3 -0.05 -0.01 -0.07 -0.04 1.68 1.51 1wmtA11 LYS 27 HE2 -0.04 -0.03 -0.02 -0.04 2.99 2.85 1wmtA11 LYS 27 HE3 -0.07 0.01 -0.03 -0.04 2.99 2.86 1wmtA11 CYS 28 H 0.03 0.02 -0.01 -0.55 8.50 8.00 1wmtA11 CYS 28 HA 0.03 0.35 0.56 -0.75 4.58 4.76 1wmtA11 CYS 28 HB2 0.04 -0.02 -0.78 -0.04 2.97 2.16 1wmtA11 CYS 28 HB3 0.01 -0.10 -0.25 -0.04 2.97 2.59 1wmtA11 MET 29 H -0.03 0.47 0.05 -0.55 8.47 8.41 1wmtA11 MET 29 HA -0.00 0.08 0.76 -0.75 4.52 4.60 1wmtA11 MET 29 HB2 -0.18 0.07 -0.02 -0.04 2.15 1.98 1wmtA11 MET 29 HB3 -0.06 0.03 -0.10 -0.04 2.03 1.85 1wmtA11 MET 29 HG2 -0.02 -0.00 -0.06 -0.04 2.63 2.51 1wmtA11 MET 29 HG3 -0.05 -0.05 -0.19 -0.04 2.56 2.24 1wmtA11 MET 29 HE3 -0.08 0.00 -0.05 -0.04 2.10 1.92 1wmtA11 ASN 30 H 0.04 0.12 0.11 -0.55 8.53 8.26 1wmtA11 ASN 30 HA 0.09 0.01 0.33 -0.75 4.76 4.44 1wmtA11 ASN 30 HB2 0.30 0.15 -0.23 -0.04 2.88 3.07 1wmtA11 ASN 30 HB3 0.28 0.03 0.13 -0.04 2.79 3.19 1wmtA11 ASN 30 HD21 0.31 0.04 -0.14 -0.04 7.03 7.20 1wmtA11 ASN 30 HD22 0.13 -0.00 -0.04 -0.04 7.74 7.78 1wmtA11 ARG 31 H -0.01 0.06 -0.19 -0.55 8.46 7.77 1wmtA11 ARG 31 HA -0.11 0.12 0.15 -0.75 4.34 3.74 1wmtA11 ARG 31 HB2 -0.25 -0.01 0.24 -0.04 1.90 1.84 1wmtA11 ARG 31 HB3 -0.09 -0.07 0.07 -0.04 1.80 1.67 1wmtA11 ARG 31 HG2 -0.32 0.63 -0.46 -0.04 1.67 1.47 1wmtA11 ARG 31 HG3 -0.15 -0.05 -0.06 -0.04 1.67 1.37 1wmtA11 ARG 31 HD2 -0.00 -0.01 -0.10 -0.04 3.22 3.07 1wmtA11 ARG 31 HD3 0.03 -0.22 -0.36 -0.04 3.22 2.63 1wmtA11 HIS 32 H 0.01 0.14 -0.98 -0.55 8.41 7.03 1wmtA11 HIS 32 HA 0.06 0.61 0.87 -0.75 4.63 5.42 1wmtA11 HIS 32 HB2 0.16 0.07 0.01 -0.04 3.26 3.46 1wmtA11 HIS 32 HB3 0.14 0.07 0.13 -0.04 3.20 3.49 1wmtA11 HIS 32 HD2 0.06 -0.01 -0.60 -0.04 6.97 6.37 1wmtA11 HIS 32 HE1 0.04 -0.16 -0.06 -0.04 7.75 7.53 1wmtA11 CYS 33 H 0.17 0.17 0.15 -0.55 8.50 8.44 1wmtA11 CYS 33 HA 0.06 -0.04 0.48 -0.75 4.58 4.32 1wmtA11 CYS 33 HB2 0.12 -0.12 0.15 -0.04 2.97 3.08 1wmtA11 CYS 33 HB3 0.09 -0.06 -0.04 -0.04 2.97 2.92 1wmtA11 ASN 34 H 0.03 0.10 0.21 -0.55 8.53 8.32 1wmtA11 ASN 34 HA -0.03 0.31 0.89 -0.75 4.76 5.18 1wmtA11 ASN 34 HB2 -0.21 0.03 -0.11 -0.04 2.88 2.55 1wmtA11 ASN 34 HB3 -0.02 -0.12 0.22 -0.04 2.79 2.83 1wmtA11 ASN 34 HD21 -0.71 0.03 -0.05 -0.04 7.03 6.26 1wmtA11 ASN 34 HD22 -0.17 -0.02 -0.03 -0.04 7.74 7.48 1wmtA11 CYS 35 H -0.07 0.40 0.18 -0.55 8.50 8.46 1wmtA11 CYS 35 HA -0.37 0.22 0.89 -0.75 4.58 4.57 1wmtA11 CYS 35 HB2 -0.33 0.02 0.14 -0.04 2.97 2.75 1wmtA11 CYS 35 HB3 -0.47 -0.11 0.14 -0.04 2.97 2.48 1wmtA11 TYR 36 H -0.88 0.16 0.23 -0.55 8.29 7.25 1wmtA11 TYR 36 HA -0.07 0.21 0.84 -0.75 4.56 4.78 1wmtA11 TYR 36 HB2 -0.06 -0.04 0.03 -0.04 3.06 2.94 1wmtA11 TYR 36 HB3 -0.05 0.06 0.07 -0.04 2.98 3.02 1wmtA11 TYR 36 HD2 -0.07 0.08 -0.59 -0.04 7.15 6.53 1wmtA11 TYR 36 HE2 -0.06 0.03 -0.01 -0.04 6.85 6.77 1wmtA11 ASN 37 H -0.32 -0.03 0.15 -0.55 8.53 7.78 1wmtA11 ASN 37 HA -0.09 0.04 0.34 -0.75 4.76 4.30 1wmtA11 ASN 37 HB2 -0.08 -0.10 -0.34 -0.04 2.88 2.32 1wmtA11 ASN 37 HB3 0.02 0.16 0.13 -0.04 2.79 3.06 1wmtA11 ASN 37 HD21 -0.01 -0.07 -0.03 -0.04 7.03 6.89 1wmtA11 ASN 37 HD22 0.26 0.05 0.02 -0.04 7.74 8.03 1wmtA11 ASN 38 H -0.06 -0.06 -0.62 -0.55 8.53 7.23 1wmtA11 ASN 38 HA -0.01 0.19 0.60 -0.75 4.76 4.79 1wmtA11 ASN 38 HB2 0.16 -0.09 0.01 -0.04 2.88 2.92 1wmtA11 ASN 38 HB3 0.03 0.01 0.17 -0.04 2.79 2.96 1wmtA11 ASN 38 HD21 0.02 -0.01 0.02 -0.04 7.03 7.02 1wmtA11 ASN 38 HD22 0.01 0.00 0.07 -0.04 7.74 7.78 1wmtA11 CYS 39 H -0.27 0.03 -0.80 -0.55 8.50 6.91 1wmtA11 CYS 39 HA -0.36 0.16 0.59 -0.75 4.58 4.21 1wmtA11 CYS 39 HB2 -1.21 0.02 0.09 -0.04 2.97 1.83 1wmtA11 CYS 39 HB3 -0.94 0.03 0.20 -0.04 2.97 2.22 1wmtA11 PRO 40 HA 0.44 0.02 0.27 -0.51 4.44 4.65 1wmtA11 PRO 40 HB2 0.05 -0.00 0.14 -0.04 2.28 2.43 1wmtA11 PRO 40 HB3 0.14 0.02 0.10 -0.04 2.02 2.24 1wmtA11 PRO 40 HG2 0.03 0.01 0.02 -0.04 2.03 2.06 1wmtA11 PRO 40 HG3 0.10 0.05 0.06 -0.04 2.03 2.19 1wmtA11 PRO 40 HD2 -0.08 0.42 -0.52 -0.04 3.68 3.46 1wmtA11 PRO 40 HD3 -0.06 0.12 -0.23 -0.04 3.65 3.45 1wmtA11 TRP 41 H 0.47 0.18 0.36 -0.55 7.97 8.43 1wmtA11 TRP 41 HA 0.01 0.04 0.19 -0.75 4.62 4.11 1wmtA11 TRP 41 HB2 0.01 -0.05 0.06 -0.04 3.23 3.21 1wmtA11 TRP 41 HB3 0.01 -0.04 0.10 -0.04 3.23 3.27 1wmtA11 TRP 41 HD1 0.01 -0.09 0.08 -0.04 7.22 7.18 1wmtA11 TRP 41 HE1 0.02 0.24 0.25 -0.04 10.20 10.66 1wmtA11 TRP 41 HE3 0.02 -0.22 0.09 -0.04 7.59 7.44 1wmtA11 TRP 41 HZ2 0.04 0.28 -0.37 -0.04 7.44 7.35 1wmtA11 TRP 41 HZ3 0.02 -0.05 -0.11 -0.04 7.13 6.95 1wmtA11 TRP 41 HH2 0.05 -0.07 -0.04 -0.04 7.19 7.09