============================================================================= 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 0.569 -5.063 8.235 -99.200 -91.000 TYR 14 0.840 1.842 1.731 -6.001 -99.200 -91.000 TYR 21 0.840 -2.400 5.562 4.816 -99.200 -91.000 HIS 32 0.900 -4.467 -8.752 4.991 -99.200 -91.000 TYR 36 0.840 6.740 1.566 4.323 -99.200 -91.000 TRP 41 1.040 3.943 12.507 -1.930 -99.200 -91.000 TRP6 41 1.020 5.935 11.183 -2.115 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1wmtA2 VAL 1 HA -0.05 -0.05 0.14 -0.75 4.13 3.42 1wmtA2 VAL 1 HB -0.17 0.01 -0.17 -0.04 2.12 1.75 1wmtA2 VAL 1 HG13 -0.08 -0.06 -0.13 -0.04 0.97 0.67 1wmtA2 VAL 1 HG23 -0.17 0.03 -0.15 -0.04 0.95 0.62 1wmtA2 HIS 2 H 0.06 0.13 0.08 -0.55 8.41 8.14 1wmtA2 HIS 2 HA -0.06 0.04 0.67 -0.75 4.63 4.52 1wmtA2 HIS 2 HB2 -0.04 -0.03 0.15 -0.04 3.26 3.30 1wmtA2 HIS 2 HB3 -0.04 0.00 0.12 -0.04 3.20 3.24 1wmtA2 HIS 2 HD2 -0.02 -0.02 -0.01 -0.04 6.97 6.87 1wmtA2 HIS 2 HE1 0.05 -0.04 -0.11 -0.04 7.75 7.61 1wmtA2 THR 3 H 0.19 0.60 0.46 -0.55 8.28 8.99 1wmtA2 THR 3 HA -0.04 0.18 0.87 -0.75 4.39 4.65 1wmtA2 THR 3 HB 0.04 -0.06 0.11 -0.04 4.32 4.36 1wmtA2 THR 3 HG23 0.16 0.04 -0.21 -0.04 1.22 1.18 1wmtA2 ASN 4 H -0.06 0.17 0.10 -0.55 8.53 8.19 1wmtA2 ASN 4 HA -0.26 0.25 0.79 -0.75 4.76 4.78 1wmtA2 ASN 4 HB2 -0.22 -0.00 0.02 -0.04 2.88 2.64 1wmtA2 ASN 4 HB3 -0.09 -0.01 0.13 -0.04 2.79 2.78 1wmtA2 ASN 4 HD21 -0.71 0.00 -0.01 -0.04 7.03 6.27 1wmtA2 ASN 4 HD22 -0.68 0.01 0.01 -0.04 7.74 7.03 1wmtA2 ILE 5 H 0.05 0.02 -0.40 -0.55 8.25 7.36 1wmtA2 ILE 5 HA 0.04 0.17 0.54 -0.75 4.18 4.18 1wmtA2 ILE 5 HB 0.03 -0.16 0.15 -0.04 1.89 1.87 1wmtA2 ILE 5 HG12 -0.00 0.08 -0.01 -0.04 1.49 1.51 1wmtA2 ILE 5 HG13 0.02 -0.13 0.04 -0.04 1.21 1.10 1wmtA2 ILE 5 HG23 -0.01 0.02 -0.04 -0.04 0.93 0.86 1wmtA2 ILE 5 HD13 -0.05 0.02 -0.02 -0.04 0.88 0.79 1wmtA2 PRO 6 HA -0.10 0.59 0.55 -0.51 4.44 4.97 1wmtA2 PRO 6 HB2 -0.02 -0.03 0.09 -0.04 2.28 2.28 1wmtA2 PRO 6 HB3 0.00 0.08 0.15 -0.04 2.02 2.21 1wmtA2 PRO 6 HG2 0.01 -0.03 0.17 -0.04 2.03 2.14 1wmtA2 PRO 6 HG3 0.03 0.04 0.15 -0.04 2.03 2.22 1wmtA2 PRO 6 HD2 0.02 0.00 0.23 -0.04 3.68 3.89 1wmtA2 PRO 6 HD3 0.06 0.32 0.42 -0.04 3.65 4.41 1wmtA2 CYS 7 H -0.09 0.25 -0.21 -0.55 8.50 7.90 1wmtA2 CYS 7 HA -0.01 0.20 0.68 -0.75 4.58 4.70 1wmtA2 CYS 7 HB2 0.02 -0.17 -0.05 -0.04 2.97 2.72 1wmtA2 CYS 7 HB3 0.01 0.04 -0.34 -0.04 2.97 2.64 1wmtA2 ARG 8 H 0.00 -0.04 0.07 -0.55 8.46 7.94 1wmtA2 ARG 8 HA -0.02 0.21 0.77 -0.75 4.34 4.54 1wmtA2 ARG 8 HB2 -0.01 0.06 0.05 -0.04 1.90 1.96 1wmtA2 ARG 8 HB3 -0.01 -0.00 -0.17 -0.04 1.80 1.58 1wmtA2 ARG 8 HG2 0.00 0.01 -0.04 -0.04 1.67 1.61 1wmtA2 ARG 8 HG3 0.01 0.04 -0.30 -0.04 1.67 1.37 1wmtA2 ARG 8 HD2 -0.00 0.03 -0.04 -0.04 3.22 3.17 1wmtA2 ARG 8 HD3 0.00 0.01 -0.06 -0.04 3.22 3.14 1wmtA2 GLY 9 H 0.02 0.03 0.13 -0.55 8.43 8.06 1wmtA2 GLY 9 HA2 0.01 0.28 0.92 -0.51 4.01 4.71 1wmtA2 GLY 9 HA3 0.02 0.08 0.23 -0.51 4.01 3.84 1wmtA2 THR 10 H 0.02 0.30 0.16 -0.55 8.28 8.21 1wmtA2 THR 10 HA 0.06 0.01 0.32 -0.75 4.39 4.03 1wmtA2 THR 10 HB -0.02 0.05 0.20 -0.04 4.32 4.51 1wmtA2 THR 10 HG23 -0.06 0.05 -0.19 -0.04 1.22 0.98 1wmtA2 SER 11 H 0.00 0.14 -0.24 -0.55 8.46 7.82 1wmtA2 SER 11 HA -0.04 0.06 0.35 -0.75 4.49 4.10 1wmtA2 SER 11 HB2 -0.00 -0.03 0.10 -0.04 3.95 3.97 1wmtA2 SER 11 HB3 0.07 0.07 0.21 -0.04 3.93 4.24 1wmtA2 ASP 12 H 0.27 1.05 -0.18 -0.55 8.40 8.99 1wmtA2 ASP 12 HA 0.09 0.10 0.51 -0.75 4.63 4.59 1wmtA2 ASP 12 HB2 0.06 0.01 -0.40 -0.04 2.71 2.34 1wmtA2 ASP 12 HB3 0.05 -0.09 0.04 -0.04 2.70 2.66 1wmtA2 CYS 13 H 0.12 0.39 0.23 -0.55 8.50 8.69 1wmtA2 CYS 13 HA 0.03 0.19 0.48 -0.75 4.58 4.52 1wmtA2 CYS 13 HB2 0.06 -0.00 -0.10 -0.04 2.97 2.89 1wmtA2 CYS 13 HB3 0.08 -0.05 -0.28 -0.04 2.97 2.68 1wmtA2 TYR 14 H 0.35 0.35 -0.03 -0.55 8.29 8.41 1wmtA2 TYR 14 HA 0.01 0.10 0.60 -0.75 4.56 4.51 1wmtA2 TYR 14 HB2 0.05 -0.32 0.03 -0.04 3.06 2.78 1wmtA2 TYR 14 HB3 0.03 0.17 -0.03 -0.04 2.98 3.12 1wmtA2 TYR 14 HD2 0.04 -0.12 0.10 -0.04 7.15 7.12 1wmtA2 TYR 14 HE2 0.05 0.07 -0.08 -0.04 6.85 6.85 1wmtA2 GLU 15 H -0.16 0.30 -0.56 -0.55 8.60 7.63 1wmtA2 GLU 15 HA -0.53 0.07 0.48 -0.75 4.29 3.55 1wmtA2 GLU 15 HB2 -0.14 0.22 0.10 -0.04 2.09 2.23 1wmtA2 GLU 15 HB3 -0.15 0.02 -0.03 -0.04 1.99 1.79 1wmtA2 GLU 15 HG2 -0.19 0.02 0.01 -0.04 2.34 2.13 1wmtA2 GLU 15 HG3 -0.47 -0.09 -0.09 -0.04 2.34 1.65 1wmtA2 PRO 16 HA -0.15 0.12 0.33 -0.51 4.44 4.23 1wmtA2 PRO 16 HB2 -0.17 0.01 -0.05 -0.04 2.28 2.04 1wmtA2 PRO 16 HB3 -0.10 0.08 0.07 -0.04 2.02 2.03 1wmtA2 PRO 16 HG2 -0.07 0.19 0.05 -0.04 2.03 2.16 1wmtA2 PRO 16 HG3 -0.05 0.04 0.06 -0.04 2.03 2.04 1wmtA2 PRO 16 HD2 -0.09 -0.32 -0.56 -0.04 3.68 2.66 1wmtA2 PRO 16 HD3 -0.08 0.25 0.08 -0.04 3.65 3.86 1wmtA2 CYS 17 H -0.14 0.18 -0.75 -0.55 8.50 7.23 1wmtA2 CYS 17 HA -0.43 0.09 0.53 -0.75 4.58 4.01 1wmtA2 CYS 17 HB2 0.01 0.05 0.07 -0.04 2.97 3.06 1wmtA2 CYS 17 HB3 0.02 0.04 0.10 -0.04 2.97 3.10 1wmtA2 GLU 18 H -0.15 0.40 -0.17 -0.55 8.60 8.13 1wmtA2 GLU 18 HA -0.00 -0.11 0.48 -0.75 4.29 3.91 1wmtA2 GLU 18 HB2 -0.09 0.05 0.19 -0.04 2.09 2.19 1wmtA2 GLU 18 HB3 0.04 0.07 0.01 -0.04 1.99 2.07 1wmtA2 GLU 18 HG2 0.02 -0.18 0.07 -0.04 2.34 2.21 1wmtA2 GLU 18 HG3 -0.28 0.38 0.35 -0.04 2.34 2.75 1wmtA2 LYS 19 H -0.11 0.47 0.07 -0.55 8.42 8.29 1wmtA2 LYS 19 HA -0.02 0.10 0.40 -0.75 4.32 4.04 1wmtA2 LYS 19 HB2 -0.09 -0.01 0.05 -0.04 1.87 1.77 1wmtA2 LYS 19 HB3 -0.05 0.02 0.03 -0.04 1.79 1.76 1wmtA2 LYS 19 HG2 -0.03 0.03 0.02 -0.04 1.46 1.43 1wmtA2 LYS 19 HG3 -0.07 -0.04 0.07 -0.04 1.46 1.38 1wmtA2 LYS 19 HD2 -0.07 -0.02 -0.05 -0.04 1.69 1.50 1wmtA2 LYS 19 HD3 -0.04 0.02 -0.01 -0.04 1.68 1.61 1wmtA2 LYS 19 HE2 -0.07 -0.04 -0.00 -0.04 2.99 2.84 1wmtA2 LYS 19 HE3 -0.04 -0.00 -0.02 -0.04 2.99 2.89 1wmtA2 LYS 20 H -0.19 0.05 -0.65 -0.55 8.42 7.07 1wmtA2 LYS 20 HA -0.10 0.15 0.73 -0.75 4.32 4.35 1wmtA2 LYS 20 HB2 -0.38 0.34 0.27 -0.04 1.87 2.06 1wmtA2 LYS 20 HB3 -1.01 -0.17 0.17 -0.04 1.79 0.73 1wmtA2 LYS 20 HG2 -0.12 -0.01 0.01 -0.04 1.46 1.29 1wmtA2 LYS 20 HG3 -0.23 -0.07 0.01 -0.04 1.46 1.13 1wmtA2 LYS 20 HD2 0.09 -0.02 -0.15 -0.04 1.69 1.57 1wmtA2 LYS 20 HD3 0.01 0.07 0.01 -0.04 1.68 1.73 1wmtA2 LYS 20 HE2 0.09 -0.04 -0.03 -0.04 2.99 2.97 1wmtA2 LYS 20 HE3 0.10 0.01 -0.03 -0.04 2.99 3.03 1wmtA2 TYR 21 H -0.52 0.06 0.18 -0.55 8.29 7.46 1wmtA2 TYR 21 HA -0.05 0.14 0.56 -0.75 4.56 4.46 1wmtA2 TYR 21 HB2 -0.08 -0.11 0.10 -0.04 3.06 2.92 1wmtA2 TYR 21 HB3 -0.08 0.01 0.15 -0.04 2.98 3.02 1wmtA2 TYR 21 HD2 -0.04 -0.00 -0.09 -0.04 7.15 6.97 1wmtA2 TYR 21 HE2 -0.04 0.01 -0.06 -0.04 6.85 6.72 1wmtA2 ASN 22 H -0.03 0.10 -0.44 -0.55 8.53 7.62 1wmtA2 ASN 22 HA 0.04 -0.02 0.46 -0.75 4.76 4.49 1wmtA2 ASN 22 HB2 0.01 0.17 -0.12 -0.04 2.88 2.89 1wmtA2 ASN 22 HB3 0.17 -0.03 0.18 -0.04 2.79 3.06 1wmtA2 ASN 22 HD21 0.06 -0.01 -0.15 -0.04 7.03 6.88 1wmtA2 ASN 22 HD22 0.05 -0.04 -0.06 -0.04 7.74 7.65 1wmtA2 CYS 23 H -0.09 0.01 -0.26 -0.55 8.50 7.61 1wmtA2 CYS 23 HA -1.07 0.17 0.75 -0.75 4.58 3.68 1wmtA2 CYS 23 HB2 -0.26 0.20 -0.10 -0.04 2.97 2.77 1wmtA2 CYS 23 HB3 -0.02 -0.10 -0.04 -0.04 2.97 2.77 1wmtA2 ALA 24 H -0.01 -0.09 -0.27 -0.55 8.40 7.48 1wmtA2 ALA 24 HA 0.20 0.05 0.33 -0.75 4.34 4.16 1wmtA2 ALA 24 HB3 0.31 0.06 -0.07 -0.04 1.41 1.67 1wmtA2 ARG 25 H 0.30 0.13 0.17 -0.55 8.46 8.51 1wmtA2 ARG 25 HA 0.06 0.01 0.34 -0.75 4.34 4.00 1wmtA2 ARG 25 HB2 0.04 0.00 0.15 -0.04 1.90 2.05 1wmtA2 ARG 25 HB3 0.11 0.02 0.01 -0.04 1.80 1.89 1wmtA2 ARG 25 HG2 0.06 0.15 -0.55 -0.04 1.67 1.30 1wmtA2 ARG 25 HG3 0.10 -0.05 0.05 -0.04 1.67 1.74 1wmtA2 ARG 25 HD2 -0.06 -0.00 -0.02 -0.04 3.22 3.10 1wmtA2 ARG 25 HD3 -0.01 0.04 -0.08 -0.04 3.22 3.12 1wmtA2 ALA 26 H 0.28 -0.17 -0.56 -0.55 8.40 7.41 1wmtA2 ALA 26 HA 0.23 0.20 0.58 -0.75 4.34 4.59 1wmtA2 ALA 26 HB3 0.14 -0.06 -0.14 -0.04 1.41 1.31 1wmtA2 LYS 27 H 0.03 0.47 0.25 -0.55 8.42 8.62 1wmtA2 LYS 27 HA 0.06 0.09 0.89 -0.75 4.32 4.60 1wmtA2 LYS 27 HB2 0.14 0.10 -0.07 -0.04 1.87 1.99 1wmtA2 LYS 27 HB3 0.02 -0.02 0.09 -0.04 1.79 1.85 1wmtA2 LYS 27 HG2 0.03 0.01 -0.24 -0.04 1.46 1.22 1wmtA2 LYS 27 HG3 0.05 -0.03 0.04 -0.04 1.46 1.48 1wmtA2 LYS 27 HD2 0.03 0.00 -0.05 -0.04 1.69 1.63 1wmtA2 LYS 27 HD3 0.08 0.03 -0.04 -0.04 1.68 1.71 1wmtA2 LYS 27 HE2 0.03 0.01 -0.04 -0.04 2.99 2.94 1wmtA2 LYS 27 HE3 0.07 0.04 -0.04 -0.04 2.99 3.02 1wmtA2 CYS 28 H 0.04 0.10 0.08 -0.55 8.50 8.16 1wmtA2 CYS 28 HA 0.05 0.15 0.51 -0.75 4.58 4.53 1wmtA2 CYS 28 HB2 0.03 -0.20 -0.04 -0.04 2.97 2.71 1wmtA2 CYS 28 HB3 0.02 0.23 -0.17 -0.04 2.97 3.00 1wmtA2 MET 29 H 0.08 0.52 0.16 -0.55 8.47 8.68 1wmtA2 MET 29 HA 0.04 0.10 0.50 -0.75 4.52 4.41 1wmtA2 MET 29 HB2 0.08 0.07 0.01 -0.04 2.15 2.27 1wmtA2 MET 29 HB3 0.17 -0.06 0.12 -0.04 2.03 2.22 1wmtA2 MET 29 HG2 0.02 -0.02 0.06 -0.04 2.63 2.64 1wmtA2 MET 29 HG3 -0.01 -0.01 -0.06 -0.04 2.56 2.45 1wmtA2 MET 29 HE3 -0.04 -0.00 0.01 -0.04 2.10 2.03 1wmtA2 ASN 30 H 0.12 0.12 0.07 -0.55 8.53 8.29 1wmtA2 ASN 30 HA 0.03 0.03 0.35 -0.75 4.76 4.42 1wmtA2 ASN 30 HB2 0.26 0.01 0.16 -0.04 2.88 3.27 1wmtA2 ASN 30 HB3 0.12 0.05 0.05 -0.04 2.79 2.97 1wmtA2 ASN 30 HD21 0.05 0.00 0.02 -0.04 7.03 7.06 1wmtA2 ASN 30 HD22 0.06 0.03 0.02 -0.04 7.74 7.81 1wmtA2 ARG 31 H -0.06 0.22 0.32 -0.55 8.46 8.39 1wmtA2 ARG 31 HA -0.15 0.12 0.28 -0.75 4.34 3.83 1wmtA2 ARG 31 HB2 -0.25 0.01 0.20 -0.04 1.90 1.82 1wmtA2 ARG 31 HB3 -0.15 -0.05 0.06 -0.04 1.80 1.63 1wmtA2 ARG 31 HG2 -0.38 0.04 -0.86 -0.04 1.67 0.44 1wmtA2 ARG 31 HG3 -1.08 0.00 -0.02 -0.04 1.67 0.53 1wmtA2 ARG 31 HD2 -0.09 -0.01 -0.02 -0.04 3.22 3.06 1wmtA2 ARG 31 HD3 -0.08 -0.03 -0.06 -0.04 3.22 3.02 1wmtA2 HIS 32 H -0.04 0.17 -1.23 -0.55 8.41 6.76 1wmtA2 HIS 32 HA 0.01 0.52 0.61 -0.75 4.63 5.01 1wmtA2 HIS 32 HB2 0.06 -0.16 -0.14 -0.04 3.26 2.98 1wmtA2 HIS 32 HB3 -0.05 0.19 0.14 -0.04 3.20 3.44 1wmtA2 HIS 32 HD2 -0.03 -0.01 -0.44 -0.04 6.97 6.45 1wmtA2 HIS 32 HE1 -0.01 -0.13 -0.08 -0.04 7.75 7.49 1wmtA2 CYS 33 H 0.12 0.12 0.14 -0.55 8.50 8.33 1wmtA2 CYS 33 HA 0.08 0.07 0.63 -0.75 4.58 4.61 1wmtA2 CYS 33 HB2 0.05 -0.12 0.11 -0.04 2.97 2.96 1wmtA2 CYS 33 HB3 0.04 0.01 0.03 -0.04 2.97 3.00 1wmtA2 ASN 34 H 0.04 0.28 0.26 -0.55 8.53 8.57 1wmtA2 ASN 34 HA 0.06 0.11 0.96 -0.75 4.76 5.14 1wmtA2 ASN 34 HB2 -0.02 0.01 -0.06 -0.04 2.88 2.77 1wmtA2 ASN 34 HB3 -0.07 -0.07 0.25 -0.04 2.79 2.86 1wmtA2 ASN 34 HD21 -0.45 -0.03 -0.01 -0.04 7.03 6.50 1wmtA2 ASN 34 HD22 -0.33 0.01 -0.03 -0.04 7.74 7.35 1wmtA2 CYS 35 H -0.12 0.52 0.14 -0.55 8.50 8.49 1wmtA2 CYS 35 HA -0.56 0.25 0.92 -0.75 4.58 4.43 1wmtA2 CYS 35 HB2 0.09 0.01 0.04 -0.04 2.97 3.06 1wmtA2 CYS 35 HB3 0.08 -0.10 0.16 -0.04 2.97 3.07 1wmtA2 TYR 36 H 0.12 0.00 0.19 -0.55 8.29 8.06 1wmtA2 TYR 36 HA -0.04 0.17 0.70 -0.75 4.56 4.65 1wmtA2 TYR 36 HB2 -0.04 -0.12 -0.01 -0.04 3.06 2.85 1wmtA2 TYR 36 HB3 -0.03 0.08 0.11 -0.04 2.98 3.10 1wmtA2 TYR 36 HD2 -0.02 -0.03 -0.06 -0.04 7.15 7.00 1wmtA2 TYR 36 HE2 0.00 0.20 0.01 -0.04 6.85 7.02 1wmtA2 ASN 37 H 0.05 -0.08 0.17 -0.55 8.53 8.12 1wmtA2 ASN 37 HA -0.08 0.07 0.35 -0.75 4.76 4.35 1wmtA2 ASN 37 HB2 -0.17 -0.06 -0.45 -0.04 2.88 2.16 1wmtA2 ASN 37 HB3 -0.12 0.10 0.13 -0.04 2.79 2.86 1wmtA2 ASN 37 HD21 -0.63 -0.07 -0.09 -0.04 7.03 6.20 1wmtA2 ASN 37 HD22 -1.41 0.03 -0.01 -0.04 7.74 6.31 1wmtA2 ASN 38 H 0.07 -0.23 -1.23 -0.55 8.53 6.60 1wmtA2 ASN 38 HA -0.02 0.18 0.51 -0.75 4.76 4.67 1wmtA2 ASN 38 HB2 -0.02 -0.10 -0.03 -0.04 2.88 2.69 1wmtA2 ASN 38 HB3 -0.03 -0.01 0.07 -0.04 2.79 2.78 1wmtA2 ASN 38 HD21 0.01 -0.05 -0.00 -0.04 7.03 6.95 1wmtA2 ASN 38 HD22 -0.01 0.04 -0.01 -0.04 7.74 7.72 1wmtA2 CYS 39 H -0.15 -0.11 -0.44 -0.55 8.50 7.25 1wmtA2 CYS 39 HA -0.16 0.10 0.42 -0.75 4.58 4.18 1wmtA2 CYS 39 HB2 -0.77 0.04 0.17 -0.04 2.97 2.37 1wmtA2 CYS 39 HB3 -1.79 0.02 0.09 -0.04 2.97 1.24 1wmtA2 PRO 40 HA 0.10 0.06 0.30 -0.51 4.44 4.40 1wmtA2 PRO 40 HB2 0.44 -0.00 -0.04 -0.04 2.28 2.64 1wmtA2 PRO 40 HB3 0.17 0.01 0.11 -0.04 2.02 2.28 1wmtA2 PRO 40 HG2 0.26 -0.01 0.08 -0.04 2.03 2.32 1wmtA2 PRO 40 HG3 0.13 0.05 0.12 -0.04 2.03 2.29 1wmtA2 PRO 40 HD2 0.34 0.03 0.21 -0.04 3.68 4.22 1wmtA2 PRO 40 HD3 0.08 0.27 0.29 -0.04 3.65 4.25 1wmtA2 TRP 41 H 0.05 -0.10 -1.08 -0.55 7.97 6.29 1wmtA2 TRP 41 HA 0.03 0.17 0.68 -0.75 4.62 4.75 1wmtA2 TRP 41 HB2 0.03 -0.01 0.04 -0.04 3.23 3.24 1wmtA2 TRP 41 HB3 0.02 -0.07 -0.24 -0.04 3.23 2.91 1wmtA2 TRP 41 HD1 0.03 -0.02 0.02 -0.04 7.22 7.21 1wmtA2 TRP 41 HE1 0.04 -0.13 -0.16 -0.04 10.20 9.91 1wmtA2 TRP 41 HE3 0.03 -0.08 -0.12 -0.04 7.59 7.38 1wmtA2 TRP 41 HZ2 0.06 -0.09 -0.13 -0.04 7.44 7.24 1wmtA2 TRP 41 HZ3 0.02 -0.01 0.01 -0.04 7.13 7.10 1wmtA2 TRP 41 HH2 0.04 -0.04 -0.02 -0.04 7.19 7.13