============================================================================= 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 0.588 -4.324 8.251 -99.200 -91.000 TYR 14 0.840 2.176 1.609 -5.992 -99.200 -91.000 TYR 21 0.840 -2.868 4.442 4.964 -99.200 -91.000 HIS 32 0.900 -4.587 -8.695 4.316 -99.200 -91.000 TYR 36 0.840 7.329 1.055 4.657 -99.200 -91.000 TRP 41 1.040 3.234 12.915 0.197 -99.200 -91.000 TRP6 41 1.020 4.146 11.810 -1.730 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1wmtA10 VAL 1 HA -0.13 -0.09 0.15 -0.75 4.13 3.30 1wmtA10 VAL 1 HB -0.21 0.02 -0.18 -0.04 2.12 1.71 1wmtA10 VAL 1 HG13 -0.77 -0.06 -0.11 -0.04 0.97 -0.02 1wmtA10 VAL 1 HG23 -0.21 0.03 -0.13 -0.04 0.95 0.59 1wmtA10 HIS 2 H -0.04 0.11 0.09 -0.55 8.41 8.03 1wmtA10 HIS 2 HA -0.19 0.04 0.67 -0.75 4.63 4.40 1wmtA10 HIS 2 HB2 -0.12 -0.03 0.13 -0.04 3.26 3.21 1wmtA10 HIS 2 HB3 -0.09 -0.01 0.08 -0.04 3.20 3.14 1wmtA10 HIS 2 HD2 -0.06 -0.04 -0.02 -0.04 6.97 6.81 1wmtA10 HIS 2 HE1 -0.02 0.08 -0.07 -0.04 7.75 7.69 1wmtA10 THR 3 H 0.24 0.50 0.45 -0.55 8.28 8.93 1wmtA10 THR 3 HA -0.00 0.16 0.89 -0.75 4.39 4.68 1wmtA10 THR 3 HB 0.17 -0.04 0.10 -0.04 4.32 4.52 1wmtA10 THR 3 HG23 -0.18 0.01 -0.21 -0.04 1.22 0.79 1wmtA10 ASN 4 H 0.01 0.15 0.12 -0.55 8.53 8.26 1wmtA10 ASN 4 HA -0.11 0.29 0.84 -0.75 4.76 5.02 1wmtA10 ASN 4 HB2 -0.16 0.01 0.00 -0.04 2.88 2.69 1wmtA10 ASN 4 HB3 -0.04 -0.03 0.11 -0.04 2.79 2.79 1wmtA10 ASN 4 HD21 -0.42 -0.00 0.03 -0.04 7.03 6.60 1wmtA10 ASN 4 HD22 -0.49 0.03 0.03 -0.04 7.74 7.27 1wmtA10 ILE 5 H 0.10 0.01 -0.26 -0.55 8.25 7.55 1wmtA10 ILE 5 HA 0.08 0.15 0.50 -0.75 4.18 4.15 1wmtA10 ILE 5 HB 0.09 -0.16 0.11 -0.04 1.89 1.88 1wmtA10 ILE 5 HG12 0.09 0.08 0.02 -0.04 1.49 1.64 1wmtA10 ILE 5 HG13 0.12 -0.12 0.07 -0.04 1.21 1.24 1wmtA10 ILE 5 HG23 0.05 0.04 -0.05 -0.04 0.93 0.93 1wmtA10 ILE 5 HD13 0.15 0.01 -0.05 -0.04 0.88 0.95 1wmtA10 PRO 6 HA -0.24 0.45 0.64 -0.51 4.44 4.79 1wmtA10 PRO 6 HB2 -0.03 -0.03 0.12 -0.04 2.28 2.30 1wmtA10 PRO 6 HB3 0.01 0.06 0.16 -0.04 2.02 2.21 1wmtA10 PRO 6 HG2 0.01 -0.03 0.18 -0.04 2.03 2.15 1wmtA10 PRO 6 HG3 0.04 0.04 0.15 -0.04 2.03 2.22 1wmtA10 PRO 6 HD2 0.04 0.01 0.23 -0.04 3.68 3.91 1wmtA10 PRO 6 HD3 0.08 0.24 0.36 -0.04 3.65 4.28 1wmtA10 CYS 7 H -0.20 0.68 -0.13 -0.55 8.50 8.30 1wmtA10 CYS 7 HA -0.03 0.17 0.66 -0.75 4.58 4.62 1wmtA10 CYS 7 HB2 0.01 -0.33 0.07 -0.04 2.97 2.67 1wmtA10 CYS 7 HB3 0.01 0.07 -0.26 -0.04 2.97 2.74 1wmtA10 ARG 8 H -0.01 -0.01 0.12 -0.55 8.46 8.01 1wmtA10 ARG 8 HA -0.03 0.23 0.88 -0.75 4.34 4.67 1wmtA10 ARG 8 HB2 -0.01 0.01 -0.12 -0.04 1.90 1.74 1wmtA10 ARG 8 HB3 -0.00 -0.01 -0.06 -0.04 1.80 1.69 1wmtA10 ARG 8 HG2 -0.01 -0.02 0.11 -0.04 1.67 1.70 1wmtA10 ARG 8 HG3 -0.02 0.08 0.05 -0.04 1.67 1.74 1wmtA10 ARG 8 HD2 -0.00 -0.02 -0.03 -0.04 3.22 3.13 1wmtA10 ARG 8 HD3 -0.01 0.01 -0.00 -0.04 3.22 3.18 1wmtA10 GLY 9 H 0.02 -0.02 0.13 -0.55 8.43 8.01 1wmtA10 GLY 9 HA2 0.01 0.21 0.58 -0.51 4.01 4.31 1wmtA10 GLY 9 HA3 0.02 0.10 0.24 -0.51 4.01 3.86 1wmtA10 THR 10 H 0.02 0.30 0.15 -0.55 8.28 8.20 1wmtA10 THR 10 HA 0.08 0.01 0.32 -0.75 4.39 4.04 1wmtA10 THR 10 HB -0.02 0.03 0.18 -0.04 4.32 4.47 1wmtA10 THR 10 HG23 -0.08 0.17 -0.15 -0.04 1.22 1.12 1wmtA10 SER 11 H 0.01 0.15 -0.13 -0.55 8.46 7.94 1wmtA10 SER 11 HA -0.04 0.07 0.34 -0.75 4.49 4.10 1wmtA10 SER 11 HB2 -0.04 0.02 0.11 -0.04 3.95 3.99 1wmtA10 SER 11 HB3 0.03 0.01 0.08 -0.04 3.93 4.01 1wmtA10 ASP 12 H 0.28 0.63 -0.46 -0.55 8.40 8.31 1wmtA10 ASP 12 HA 0.11 0.14 0.56 -0.75 4.63 4.68 1wmtA10 ASP 12 HB2 0.07 0.01 -0.49 -0.04 2.71 2.25 1wmtA10 ASP 12 HB3 0.06 -0.07 -0.01 -0.04 2.70 2.63 1wmtA10 CYS 13 H 0.13 0.44 0.21 -0.55 8.50 8.73 1wmtA10 CYS 13 HA 0.04 0.20 0.56 -0.75 4.58 4.63 1wmtA10 CYS 13 HB2 0.05 -0.04 -0.04 -0.04 2.97 2.90 1wmtA10 CYS 13 HB3 0.09 -0.05 -0.21 -0.04 2.97 2.76 1wmtA10 TYR 14 H 0.36 0.32 -0.02 -0.55 8.29 8.40 1wmtA10 TYR 14 HA 0.04 0.09 0.55 -0.75 4.56 4.49 1wmtA10 TYR 14 HB2 0.03 -0.28 0.09 -0.04 3.06 2.86 1wmtA10 TYR 14 HB3 0.03 0.18 0.04 -0.04 2.98 3.19 1wmtA10 TYR 14 HD2 0.03 -0.08 0.10 -0.04 7.15 7.16 1wmtA10 TYR 14 HE2 0.03 0.05 -0.09 -0.04 6.85 6.80 1wmtA10 GLU 15 H -0.30 0.24 -0.48 -0.55 8.60 7.52 1wmtA10 GLU 15 HA -0.47 0.07 0.47 -0.75 4.29 3.61 1wmtA10 GLU 15 HB2 -0.21 0.16 0.08 -0.04 2.09 2.08 1wmtA10 GLU 15 HB3 -0.16 0.03 -0.03 -0.04 1.99 1.79 1wmtA10 GLU 15 HG2 -0.70 -0.06 -0.06 -0.04 2.34 1.48 1wmtA10 GLU 15 HG3 -0.36 0.05 -0.04 -0.04 2.34 1.94 1wmtA10 PRO 16 HA -0.01 0.10 0.31 -0.51 4.44 4.33 1wmtA10 PRO 16 HB2 0.06 0.02 -0.05 -0.04 2.28 2.27 1wmtA10 PRO 16 HB3 0.01 0.07 0.07 -0.04 2.02 2.13 1wmtA10 PRO 16 HG2 0.06 0.28 0.10 -0.04 2.03 2.43 1wmtA10 PRO 16 HG3 0.03 0.03 0.08 -0.04 2.03 2.12 1wmtA10 PRO 16 HD2 -0.07 -0.35 -0.61 -0.04 3.68 2.61 1wmtA10 PRO 16 HD3 -0.05 0.23 0.08 -0.04 3.65 3.87 1wmtA10 CYS 17 H 0.05 0.18 -0.75 -0.55 8.50 7.44 1wmtA10 CYS 17 HA 0.49 0.02 0.49 -0.75 4.58 4.83 1wmtA10 CYS 17 HB2 0.12 0.02 0.13 -0.04 2.97 3.20 1wmtA10 CYS 17 HB3 0.11 0.35 0.09 -0.04 2.97 3.48 1wmtA10 GLU 18 H 0.03 0.32 -0.33 -0.55 8.60 8.08 1wmtA10 GLU 18 HA 0.08 -0.12 0.16 -0.75 4.29 3.66 1wmtA10 GLU 18 HB2 0.02 0.12 0.13 -0.04 2.09 2.31 1wmtA10 GLU 18 HB3 0.17 0.02 -0.11 -0.04 1.99 2.03 1wmtA10 GLU 18 HG2 0.08 -0.13 -0.24 -0.04 2.34 2.01 1wmtA10 GLU 18 HG3 0.02 0.28 0.07 -0.04 2.34 2.67 1wmtA10 LYS 19 H 0.02 0.59 -0.02 -0.55 8.42 8.45 1wmtA10 LYS 19 HA 0.04 0.06 0.36 -0.75 4.32 4.03 1wmtA10 LYS 19 HB2 -0.01 -0.04 0.04 -0.04 1.87 1.82 1wmtA10 LYS 19 HB3 -0.01 0.01 0.00 -0.04 1.79 1.76 1wmtA10 LYS 19 HG2 0.01 0.01 -0.00 -0.04 1.46 1.44 1wmtA10 LYS 19 HG3 -0.01 0.00 0.01 -0.04 1.46 1.42 1wmtA10 LYS 19 HD2 -0.03 -0.06 -0.16 -0.04 1.69 1.40 1wmtA10 LYS 19 HD3 -0.02 0.02 -0.05 -0.04 1.68 1.59 1wmtA10 LYS 19 HE2 -0.01 0.01 -0.03 -0.04 2.99 2.92 1wmtA10 LYS 19 HE3 -0.03 -0.03 -0.04 -0.04 2.99 2.85 1wmtA10 LYS 20 H -0.00 0.18 -0.67 -0.55 8.42 7.38 1wmtA10 LYS 20 HA -0.17 0.14 0.73 -0.75 4.32 4.26 1wmtA10 LYS 20 HB2 -0.16 0.09 0.15 -0.04 1.87 1.92 1wmtA10 LYS 20 HB3 -0.61 -0.24 0.24 -0.04 1.79 1.14 1wmtA10 LYS 20 HG2 -0.28 0.01 0.02 -0.04 1.46 1.17 1wmtA10 LYS 20 HG3 -0.45 -0.07 -0.01 -0.04 1.46 0.89 1wmtA10 LYS 20 HD2 -2.11 -0.05 -0.19 -0.04 1.69 -0.70 1wmtA10 LYS 20 HD3 -0.51 0.06 -0.34 -0.04 1.68 0.85 1wmtA10 LYS 20 HE2 -0.34 -0.04 -0.04 -0.04 2.99 2.53 1wmtA10 LYS 20 HE3 -0.30 0.00 -0.07 -0.04 2.99 2.59 1wmtA10 TYR 21 H -0.04 0.14 0.19 -0.55 8.29 8.03 1wmtA10 TYR 21 HA 0.01 0.10 0.49 -0.75 4.56 4.41 1wmtA10 TYR 21 HB2 -0.03 0.01 0.15 -0.04 3.06 3.14 1wmtA10 TYR 21 HB3 -0.02 -0.02 0.17 -0.04 2.98 3.06 1wmtA10 TYR 21 HD2 -0.00 0.03 0.13 -0.04 7.15 7.27 1wmtA10 TYR 21 HE2 0.00 -0.01 -0.06 -0.04 6.85 6.73 1wmtA10 ASN 22 H 0.08 0.11 -0.91 -0.55 8.53 7.26 1wmtA10 ASN 22 HA 0.23 0.32 0.37 -0.75 4.76 4.93 1wmtA10 ASN 22 HB2 0.17 0.02 -0.42 -0.04 2.88 2.60 1wmtA10 ASN 22 HB3 0.31 -0.02 0.22 -0.04 2.79 3.26 1wmtA10 ASN 22 HD21 0.17 0.01 -0.02 -0.04 7.03 7.15 1wmtA10 ASN 22 HD22 0.15 -0.06 0.00 -0.04 7.74 7.79 1wmtA10 CYS 23 H 0.03 0.42 -0.33 -0.55 8.50 8.06 1wmtA10 CYS 23 HA -0.91 0.05 0.71 -0.75 4.58 3.67 1wmtA10 CYS 23 HB2 -0.13 0.06 -0.04 -0.04 2.97 2.81 1wmtA10 CYS 23 HB3 -0.23 -0.07 0.01 -0.04 2.97 2.64 1wmtA10 ALA 24 H -0.31 0.14 -0.00 -0.55 8.40 7.68 1wmtA10 ALA 24 HA 0.15 0.17 0.48 -0.75 4.34 4.38 1wmtA10 ALA 24 HB3 0.24 0.03 0.14 -0.04 1.41 1.78 1wmtA10 ARG 25 H 0.16 0.12 0.12 -0.55 8.46 8.32 1wmtA10 ARG 25 HA -0.06 0.03 0.35 -0.75 4.34 3.91 1wmtA10 ARG 25 HB2 -0.09 0.04 0.12 -0.04 1.90 1.92 1wmtA10 ARG 25 HB3 -0.06 -0.08 -0.18 -0.04 1.80 1.44 1wmtA10 ARG 25 HG2 -0.13 -0.08 -0.17 -0.04 1.67 1.25 1wmtA10 ARG 25 HG3 0.01 0.25 0.09 -0.04 1.67 1.98 1wmtA10 ARG 25 HD2 -0.55 -0.06 0.02 -0.04 3.22 2.59 1wmtA10 ARG 25 HD3 -0.25 0.02 0.14 -0.04 3.22 3.09 1wmtA10 ALA 26 H 0.20 -0.11 -0.30 -0.55 8.40 7.65 1wmtA10 ALA 26 HA 0.16 0.19 0.57 -0.75 4.34 4.50 1wmtA10 ALA 26 HB3 0.13 -0.02 -0.04 -0.04 1.41 1.44 1wmtA10 LYS 27 H 0.03 0.10 -0.02 -0.55 8.42 7.97 1wmtA10 LYS 27 HA 0.04 0.03 0.81 -0.75 4.32 4.44 1wmtA10 LYS 27 HB2 0.02 0.26 0.03 -0.04 1.87 2.14 1wmtA10 LYS 27 HB3 -0.02 -0.05 -0.01 -0.04 1.79 1.67 1wmtA10 LYS 27 HG2 0.02 -0.10 0.02 -0.04 1.46 1.35 1wmtA10 LYS 27 HG3 0.06 0.11 -0.00 -0.04 1.46 1.59 1wmtA10 LYS 27 HD2 0.16 0.07 -0.05 -0.04 1.69 1.83 1wmtA10 LYS 27 HD3 0.02 -0.03 -0.04 -0.04 1.68 1.59 1wmtA10 LYS 27 HE2 0.04 0.02 -0.03 -0.04 2.99 2.99 1wmtA10 LYS 27 HE3 0.05 0.02 -0.03 -0.04 2.99 2.99 1wmtA10 CYS 28 H 0.04 0.03 -0.02 -0.55 8.50 8.00 1wmtA10 CYS 28 HA 0.06 0.41 0.51 -0.75 4.58 4.80 1wmtA10 CYS 28 HB2 0.05 0.03 -0.72 -0.04 2.97 2.29 1wmtA10 CYS 28 HB3 0.03 -0.17 -0.22 -0.04 2.97 2.56 1wmtA10 MET 29 H 0.06 0.44 -0.13 -0.55 8.47 8.30 1wmtA10 MET 29 HA 0.03 0.02 0.57 -0.75 4.52 4.38 1wmtA10 MET 29 HB2 0.01 0.08 -0.00 -0.04 2.15 2.20 1wmtA10 MET 29 HB3 0.05 0.04 -0.10 -0.04 2.03 1.98 1wmtA10 MET 29 HG2 -0.02 -0.07 -0.13 -0.04 2.63 2.37 1wmtA10 MET 29 HG3 -0.06 0.04 -0.04 -0.04 2.56 2.45 1wmtA10 MET 29 HE3 0.02 0.01 0.03 -0.04 2.10 2.12 1wmtA10 ASN 30 H 0.06 0.11 0.12 -0.55 8.53 8.27 1wmtA10 ASN 30 HA 0.09 0.01 0.33 -0.75 4.76 4.43 1wmtA10 ASN 30 HB2 0.24 0.17 -0.21 -0.04 2.88 3.04 1wmtA10 ASN 30 HB3 0.22 0.02 0.13 -0.04 2.79 3.12 1wmtA10 ASN 30 HD21 0.06 -0.01 -0.03 -0.04 7.03 7.01 1wmtA10 ASN 30 HD22 0.08 0.04 -0.05 -0.04 7.74 7.77 1wmtA10 ARG 31 H -0.00 0.06 -0.23 -0.55 8.46 7.73 1wmtA10 ARG 31 HA -0.12 0.02 0.10 -0.75 4.34 3.59 1wmtA10 ARG 31 HB2 -0.32 -0.03 0.27 -0.04 1.90 1.78 1wmtA10 ARG 31 HB3 -0.11 -0.05 0.13 -0.04 1.80 1.73 1wmtA10 ARG 31 HG2 -0.07 0.46 -0.89 -0.04 1.67 1.13 1wmtA10 ARG 31 HG3 -0.06 -0.03 -0.10 -0.04 1.67 1.43 1wmtA10 ARG 31 HD2 0.00 -0.18 -0.19 -0.04 3.22 2.82 1wmtA10 ARG 31 HD3 0.04 0.01 -0.15 -0.04 3.22 3.08 1wmtA10 HIS 32 H 0.02 0.15 -1.02 -0.55 8.41 7.01 1wmtA10 HIS 32 HA 0.02 0.65 0.86 -0.75 4.63 5.40 1wmtA10 HIS 32 HB2 0.04 0.10 -0.00 -0.04 3.26 3.36 1wmtA10 HIS 32 HB3 -0.01 -0.08 0.07 -0.04 3.20 3.15 1wmtA10 HIS 32 HD2 -0.01 0.09 -0.47 -0.04 6.97 6.54 1wmtA10 HIS 32 HE1 -0.00 -0.18 -0.04 -0.04 7.75 7.48 1wmtA10 CYS 33 H 0.14 0.16 0.12 -0.55 8.50 8.37 1wmtA10 CYS 33 HA 0.08 -0.02 0.45 -0.75 4.58 4.34 1wmtA10 CYS 33 HB2 0.10 -0.10 0.13 -0.04 2.97 3.07 1wmtA10 CYS 33 HB3 0.08 -0.04 -0.06 -0.04 2.97 2.91 1wmtA10 ASN 34 H 0.03 0.01 0.23 -0.55 8.53 8.24 1wmtA10 ASN 34 HA 0.01 0.02 0.98 -0.75 4.76 5.01 1wmtA10 ASN 34 HB2 -0.03 0.04 -0.10 -0.04 2.88 2.74 1wmtA10 ASN 34 HB3 -0.18 -0.12 0.28 -0.04 2.79 2.73 1wmtA10 ASN 34 HD21 -0.60 -0.05 -0.08 -0.04 7.03 6.26 1wmtA10 ASN 34 HD22 -0.42 0.25 -0.24 -0.04 7.74 7.28 1wmtA10 CYS 35 H -0.25 0.37 0.21 -0.55 8.50 8.28 1wmtA10 CYS 35 HA -0.06 0.21 0.93 -0.75 4.58 4.90 1wmtA10 CYS 35 HB2 -0.09 -0.23 0.20 -0.04 2.97 2.80 1wmtA10 CYS 35 HB3 0.00 0.07 0.10 -0.04 2.97 3.10 1wmtA10 TYR 36 H 0.24 0.13 0.15 -0.55 8.29 8.26 1wmtA10 TYR 36 HA -0.11 0.17 0.79 -0.75 4.56 4.66 1wmtA10 TYR 36 HB2 -0.09 -0.04 -0.08 -0.04 3.06 2.81 1wmtA10 TYR 36 HB3 -0.07 0.04 0.06 -0.04 2.98 2.96 1wmtA10 TYR 36 HD2 -0.08 -0.05 -0.01 -0.04 7.15 6.97 1wmtA10 TYR 36 HE2 -0.07 0.06 0.00 -0.04 6.85 6.81 1wmtA10 ASN 37 H -0.04 -0.04 0.09 -0.55 8.53 8.00 1wmtA10 ASN 37 HA -0.08 0.05 0.34 -0.75 4.76 4.31 1wmtA10 ASN 37 HB2 -0.06 -0.12 -0.17 -0.04 2.88 2.48 1wmtA10 ASN 37 HB3 -0.01 0.14 0.16 -0.04 2.79 3.04 1wmtA10 ASN 37 HD21 0.13 -0.09 0.02 -0.04 7.03 7.04 1wmtA10 ASN 37 HD22 0.13 0.07 0.07 -0.04 7.74 7.97 1wmtA10 ASN 38 H -0.09 -0.06 -0.20 -0.55 8.53 7.63 1wmtA10 ASN 38 HA -0.05 0.24 0.64 -0.75 4.76 4.83 1wmtA10 ASN 38 HB2 -0.03 0.01 0.09 -0.04 2.88 2.92 1wmtA10 ASN 38 HB3 0.00 0.16 -0.30 -0.04 2.79 2.61 1wmtA10 ASN 38 HD21 -0.06 0.03 0.00 -0.04 7.03 6.96 1wmtA10 ASN 38 HD22 -0.15 -0.04 -0.06 -0.04 7.74 7.45 1wmtA10 CYS 39 H -0.35 0.03 0.01 -0.55 8.50 7.64 1wmtA10 CYS 39 HA -0.22 0.10 0.38 -0.75 4.58 4.08 1wmtA10 CYS 39 HB2 -1.23 0.03 0.08 -0.04 2.97 1.80 1wmtA10 CYS 39 HB3 -0.70 -0.10 0.08 -0.04 2.97 2.22 1wmtA10 PRO 40 HA 0.14 0.10 0.29 -0.51 4.44 4.46 1wmtA10 PRO 40 HB2 0.35 -0.00 -0.04 -0.04 2.28 2.55 1wmtA10 PRO 40 HB3 0.15 0.03 0.14 -0.04 2.02 2.30 1wmtA10 PRO 40 HG2 0.20 -0.00 0.06 -0.04 2.03 2.24 1wmtA10 PRO 40 HG3 0.09 0.06 0.10 -0.04 2.03 2.24 1wmtA10 PRO 40 HD2 0.07 0.01 0.17 -0.04 3.68 3.88 1wmtA10 PRO 40 HD3 -0.01 0.16 0.19 -0.04 3.65 3.95 1wmtA10 TRP 41 H 0.66 -0.01 -1.46 -0.55 7.97 6.62 1wmtA10 TRP 41 HA 0.02 -0.01 0.09 -0.75 4.62 3.97 1wmtA10 TRP 41 HB2 0.03 0.11 0.01 -0.04 3.23 3.34 1wmtA10 TRP 41 HB3 0.02 -0.01 0.04 -0.04 3.23 3.25 1wmtA10 TRP 41 HD1 0.03 -0.03 0.05 -0.04 7.22 7.24 1wmtA10 TRP 41 HE1 0.04 -0.07 0.15 -0.04 10.20 10.28 1wmtA10 TRP 41 HE3 0.02 -0.19 -0.40 -0.04 7.59 6.99 1wmtA10 TRP 41 HZ2 0.04 -0.04 -0.11 -0.04 7.44 7.29 1wmtA10 TRP 41 HZ3 0.03 -0.01 -0.07 -0.04 7.13 7.04 1wmtA10 TRP 41 HH2 0.05 -0.06 -0.04 -0.04 7.19 7.10