============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 6 rings ring int. center anis. iso. PHE 22 1.000 4.317 0.102 4.342 -99.200 -91.000 TRP 24 1.040 11.572 -5.266 2.536 -99.200 -91.000 TRP6 24 1.020 12.588 -7.230 1.714 -99.200 -91.000 HIS 31 0.900 0.004 -0.162 4.975 -99.200 -91.000 HIS 35 0.900 -4.707 1.423 4.338 -99.200 -91.000 HIS 40 0.900 -18.716 5.647 5.946 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2epwA9 GLY 908 HA2 -0.00 -0.08 0.19 -0.51 4.01 3.62 2epwA9 GLY 908 HA3 -0.00 -0.01 0.12 -0.51 4.01 3.61 2epwA9 SER 909 H -0.00 0.11 0.12 -0.55 8.46 8.13 2epwA9 SER 909 HA -0.00 0.22 0.93 -0.75 4.49 4.88 2epwA9 SER 909 HB2 -0.00 0.04 -0.02 -0.04 3.95 3.93 2epwA9 SER 909 HB3 -0.00 -0.03 0.08 -0.04 3.93 3.94 2epwA9 SER 910 H -0.00 0.23 0.07 -0.55 8.46 8.20 2epwA9 SER 910 HA -0.00 0.05 0.59 -0.75 4.49 4.37 2epwA9 SER 910 HB2 -0.00 -0.00 -0.07 -0.04 3.95 3.83 2epwA9 SER 910 HB3 -0.00 0.03 -0.07 -0.04 3.93 3.84 2epwA9 GLY 911 H -0.00 0.13 0.09 -0.55 8.43 8.11 2epwA9 GLY 911 HA2 -0.00 0.06 0.56 -0.51 4.01 4.11 2epwA9 GLY 911 HA3 -0.00 0.01 0.33 -0.51 4.01 3.84 2epwA9 SER 912 H -0.01 0.26 0.24 -0.55 8.46 8.41 2epwA9 SER 912 HA -0.01 0.05 0.51 -0.75 4.49 4.29 2epwA9 SER 912 HB2 -0.01 -0.01 0.02 -0.04 3.95 3.91 2epwA9 SER 912 HB3 -0.01 0.12 -0.28 -0.04 3.93 3.72 2epwA9 SER 913 H -0.01 0.15 0.12 -0.55 8.46 8.17 2epwA9 SER 913 HA -0.01 0.02 0.54 -0.75 4.49 4.28 2epwA9 SER 913 HB2 -0.01 0.01 0.04 -0.04 3.95 3.95 2epwA9 SER 913 HB3 -0.01 0.02 0.11 -0.04 3.93 4.01 2epwA9 GLY 914 H -0.01 0.14 0.19 -0.55 8.43 8.20 2epwA9 GLY 914 HA2 -0.02 0.13 0.53 -0.51 4.01 4.13 2epwA9 GLY 914 HA3 -0.02 0.09 0.35 -0.51 4.01 3.93 2epwA9 THR 915 H -0.01 0.15 0.08 -0.55 8.28 7.95 2epwA9 THR 915 HA -0.01 0.25 0.91 -0.75 4.39 4.78 2epwA9 THR 915 HB -0.01 0.03 0.25 -0.04 4.32 4.55 2epwA9 THR 915 HG23 -0.01 0.01 -0.00 -0.04 1.22 1.18 2epwA9 GLY 916 H -0.02 0.13 -0.33 -0.55 8.43 7.67 2epwA9 GLY 916 HA2 -0.02 0.02 0.29 -0.51 4.01 3.79 2epwA9 GLY 916 HA3 -0.02 0.18 0.63 -0.51 4.01 4.29 2epwA9 GLU 917 H -0.03 0.23 0.08 -0.55 8.60 8.33 2epwA9 GLU 917 HA -0.04 0.09 0.57 -0.75 4.29 4.15 2epwA9 GLU 917 HB2 -0.07 0.02 0.00 -0.04 2.09 2.00 2epwA9 GLU 917 HB3 -0.05 0.13 -0.06 -0.04 1.99 1.96 2epwA9 GLU 917 HG2 -0.07 -0.03 0.13 -0.04 2.34 2.33 2epwA9 GLU 917 HG3 -0.11 0.04 -0.02 -0.04 2.34 2.21 2epwA9 LYS 918 H -0.03 0.19 -0.04 -0.55 8.42 7.99 2epwA9 LYS 918 HA -0.02 0.18 0.79 -0.75 4.32 4.52 2epwA9 LYS 918 HB2 -0.02 0.01 0.05 -0.04 1.87 1.87 2epwA9 LYS 918 HB3 -0.01 0.02 -0.00 -0.04 1.79 1.75 2epwA9 LYS 918 HG2 -0.03 -0.00 -0.09 -0.04 1.46 1.30 2epwA9 LYS 918 HG3 -0.03 -0.06 -0.49 -0.04 1.46 0.84 2epwA9 LYS 918 HD2 -0.02 0.03 -0.06 -0.04 1.69 1.61 2epwA9 LYS 918 HD3 -0.03 0.01 -0.07 -0.04 1.68 1.55 2epwA9 LYS 918 HE2 -0.02 -0.05 -0.15 -0.04 2.99 2.72 2epwA9 LYS 918 HE3 -0.02 0.00 -0.08 -0.04 2.99 2.85 2epwA9 PRO 919 HA -0.02 0.08 0.43 -0.51 4.44 4.43 2epwA9 PRO 919 HB2 -0.03 0.02 -0.00 -0.04 2.28 2.23 2epwA9 PRO 919 HB3 -0.04 0.00 0.09 -0.04 2.02 2.03 2epwA9 PRO 919 HG2 -0.04 0.14 0.10 -0.04 2.03 2.18 2epwA9 PRO 919 HG3 -0.10 0.04 0.08 -0.04 2.03 2.01 2epwA9 PRO 919 HD2 -0.04 0.16 0.03 -0.04 3.68 3.79 2epwA9 PRO 919 HD3 -0.06 0.01 -0.24 -0.04 3.65 3.33 2epwA9 CYS 920 H 0.02 0.18 -0.26 -0.55 8.50 7.89 2epwA9 CYS 920 HA 0.04 0.16 0.82 -0.75 4.58 4.84 2epwA9 CYS 920 HB2 0.09 0.24 0.00 -0.04 2.97 3.26 2epwA9 CYS 920 HB3 0.07 -0.04 -0.06 -0.04 2.97 2.90 2epwA9 LYS 921 H 0.05 0.26 0.04 -0.55 8.42 8.21 2epwA9 LYS 921 HA 0.08 -0.01 1.04 -0.75 4.32 4.68 2epwA9 LYS 921 HB2 0.02 -0.03 -0.14 -0.04 1.87 1.68 2epwA9 LYS 921 HB3 0.02 -0.00 0.03 -0.04 1.79 1.80 2epwA9 LYS 921 HG2 0.02 0.05 -0.25 -0.04 1.46 1.24 2epwA9 LYS 921 HG3 0.02 0.12 -0.17 -0.04 1.46 1.39 2epwA9 LYS 921 HD2 -0.00 0.11 -0.03 -0.04 1.69 1.72 2epwA9 LYS 921 HD3 -0.01 -0.11 -0.05 -0.04 1.68 1.48 2epwA9 LYS 921 HE2 -0.00 -0.04 -0.04 -0.04 2.99 2.87 2epwA9 LYS 921 HE3 0.01 -0.03 -0.05 -0.04 2.99 2.87 2epwA9 CYS 922 H 0.15 0.42 0.21 -0.55 8.50 8.73 2epwA9 CYS 922 HA 0.10 0.03 0.48 -0.75 4.58 4.43 2epwA9 CYS 922 HB2 0.24 0.04 0.05 -0.04 2.97 3.26 2epwA9 CYS 922 HB3 0.23 -0.00 0.03 -0.04 2.97 3.18 2epwA9 THR 923 H 0.02 0.09 0.22 -0.55 8.28 8.06 2epwA9 THR 923 HA 0.02 0.27 0.81 -0.75 4.39 4.73 2epwA9 THR 923 HB -0.00 0.05 0.05 -0.04 4.32 4.37 2epwA9 THR 923 HG23 0.01 0.04 -0.08 -0.04 1.22 1.15 2epwA9 GLU 924 H -0.10 -0.04 0.11 -0.55 8.60 8.03 2epwA9 GLU 924 HA -0.10 0.14 0.39 -0.75 4.29 3.97 2epwA9 GLU 924 HB2 -1.00 -0.08 0.08 -0.04 2.09 1.05 2epwA9 GLU 924 HB3 -0.52 0.10 0.03 -0.04 1.99 1.56 2epwA9 GLU 924 HG2 -0.28 -0.11 0.11 -0.04 2.34 2.02 2epwA9 GLU 924 HG3 -0.45 0.11 0.06 -0.04 2.34 2.02 2epwA9 CYS 925 H 0.06 -0.16 -0.30 -0.55 8.50 7.56 2epwA9 CYS 925 HA 0.10 0.30 0.88 -0.75 4.58 5.10 2epwA9 CYS 925 HB2 0.18 0.02 0.01 -0.04 2.97 3.13 2epwA9 CYS 925 HB3 0.30 0.08 -0.07 -0.04 2.97 3.24 2epwA9 GLY 926 H 0.10 -0.15 -0.34 -0.55 8.43 7.49 2epwA9 GLY 926 HA2 0.04 0.17 0.33 -0.51 4.01 4.04 2epwA9 GLY 926 HA3 0.03 0.19 0.79 -0.51 4.01 4.52 2epwA9 LYS 927 H 0.09 -0.01 -0.34 -0.55 8.42 7.61 2epwA9 LYS 927 HA -0.07 0.05 0.35 -0.75 4.32 3.90 2epwA9 LYS 927 HB2 0.04 0.03 0.04 -0.04 1.87 1.94 2epwA9 LYS 927 HB3 0.05 -0.07 -0.03 -0.04 1.79 1.70 2epwA9 LYS 927 HG2 -0.38 -0.01 -0.04 -0.04 1.46 0.99 2epwA9 LYS 927 HG3 -0.50 0.09 0.05 -0.04 1.46 1.06 2epwA9 LYS 927 HD2 -0.13 -0.00 0.06 -0.04 1.69 1.57 2epwA9 LYS 927 HD3 -0.04 0.01 0.01 -0.04 1.68 1.61 2epwA9 LYS 927 HE2 -0.22 0.01 0.02 -0.04 2.99 2.77 2epwA9 LYS 927 HE3 -0.08 0.00 0.02 -0.04 2.99 2.89 2epwA9 ALA 928 H -0.21 0.13 0.22 -0.55 8.40 7.99 2epwA9 ALA 928 HA -0.01 0.05 1.04 -0.75 4.34 4.67 2epwA9 ALA 928 HB3 -0.07 0.02 0.06 -0.04 1.41 1.39 2epwA9 PHE 929 H 0.13 0.73 0.33 -0.55 8.34 8.97 2epwA9 PHE 929 HA 0.02 0.10 0.95 -0.75 4.62 4.94 2epwA9 PHE 929 HB2 -0.01 0.02 0.01 -0.04 3.15 3.13 2epwA9 PHE 929 HB3 0.06 -0.04 -0.03 -0.04 3.06 3.01 2epwA9 PHE 929 HD2 -0.08 -0.05 -0.15 -0.04 7.28 6.96 2epwA9 PHE 929 HE2 -0.42 -0.01 -0.11 -0.04 7.38 6.80 2epwA9 PHE 929 HZ -0.24 0.02 -0.08 -0.04 7.32 6.98 2epwA9 CYS 930 H 0.11 0.18 0.14 -0.55 8.50 8.39 2epwA9 CYS 930 HA -0.03 0.10 0.48 -0.75 4.58 4.37 2epwA9 CYS 930 HB2 -0.03 0.08 0.17 -0.04 2.97 3.15 2epwA9 CYS 930 HB3 -0.02 -0.05 0.11 -0.04 2.97 2.97 2epwA9 TRP 931 H 0.38 0.05 -0.15 -0.55 7.97 7.69 2epwA9 TRP 931 HA 0.04 0.18 0.76 -0.75 4.62 4.84 2epwA9 TRP 931 HB2 0.07 0.01 0.15 -0.04 3.23 3.42 2epwA9 TRP 931 HB3 0.03 -0.13 0.05 -0.04 3.23 3.14 2epwA9 TRP 931 HD1 0.05 -0.03 0.04 -0.04 7.22 7.24 2epwA9 TRP 931 HE1 0.02 0.05 -0.00 -0.04 10.20 10.23 2epwA9 TRP 931 HE3 0.02 -0.12 0.05 -0.04 7.59 7.50 2epwA9 TRP 931 HZ2 0.01 0.04 -0.00 -0.04 7.44 7.45 2epwA9 TRP 931 HZ3 0.01 0.02 0.02 -0.04 7.13 7.14 2epwA9 TRP 931 HH2 0.01 0.04 0.00 -0.04 7.19 7.20 2epwA9 LYS 932 H 0.12 0.27 0.18 -0.55 8.42 8.43 2epwA9 LYS 932 HA 0.09 0.15 0.36 -0.75 4.32 4.16 2epwA9 LYS 932 HB2 0.05 0.05 0.03 -0.04 1.87 1.96 2epwA9 LYS 932 HB3 0.04 0.10 0.08 -0.04 1.79 1.97 2epwA9 LYS 932 HG2 0.05 0.09 0.05 -0.04 1.46 1.60 2epwA9 LYS 932 HG3 0.13 -0.19 0.16 -0.04 1.46 1.52 2epwA9 LYS 932 HD2 0.10 -0.02 -0.05 -0.04 1.69 1.69 2epwA9 LYS 932 HD3 0.07 0.00 -0.45 -0.04 1.68 1.26 2epwA9 LYS 932 HE2 0.04 0.01 -0.05 -0.04 2.99 2.95 2epwA9 LYS 932 HE3 0.04 0.03 -0.03 -0.04 2.99 2.98 2epwA9 SER 933 H 0.24 0.08 -0.18 -0.55 8.46 8.05 2epwA9 SER 933 HA 0.06 0.14 0.44 -0.75 4.49 4.38 2epwA9 SER 933 HB2 0.04 0.07 0.02 -0.04 3.95 4.05 2epwA9 SER 933 HB3 0.14 0.04 0.08 -0.04 3.93 4.15 2epwA9 GLN 934 H 0.17 0.08 -0.28 -0.55 8.47 7.89 2epwA9 GLN 934 HA -0.04 0.08 0.35 -0.75 4.36 4.00 2epwA9 GLN 934 HB2 0.20 0.12 0.09 -0.04 2.15 2.51 2epwA9 GLN 934 HB3 -0.02 0.04 -0.02 -0.04 2.02 1.98 2epwA9 GLN 934 HG2 -0.03 -0.07 0.03 -0.04 2.40 2.29 2epwA9 GLN 934 HG3 0.09 0.02 0.04 -0.04 2.39 2.50 2epwA9 GLN 934 HE21 -0.11 -0.06 -0.07 -0.04 6.97 6.68 2epwA9 GLN 934 HE22 -0.08 0.05 -0.03 -0.04 7.69 7.59 2epwA9 LEU 935 H -0.02 0.26 -0.57 -0.55 8.37 7.50 2epwA9 LEU 935 HA -0.34 0.04 0.41 -0.75 4.35 3.71 2epwA9 LEU 935 HB2 -0.03 0.03 0.00 -0.04 1.64 1.60 2epwA9 LEU 935 HB3 0.00 0.22 0.06 -0.04 1.64 1.88 2epwA9 LEU 935 HG 0.03 -0.00 -0.16 -0.04 1.64 1.46 2epwA9 LEU 935 HD13 0.01 -0.02 -0.10 -0.04 0.93 0.78 2epwA9 LEU 935 HD23 0.05 0.00 -0.11 -0.04 0.89 0.79 2epwA9 ILE 936 H -0.01 0.32 -0.24 -0.55 8.25 7.78 2epwA9 ILE 936 HA 0.01 0.05 0.37 -0.75 4.18 3.85 2epwA9 ILE 936 HB -0.00 0.13 0.18 -0.04 1.89 2.16 2epwA9 ILE 936 HG12 0.02 -0.02 0.06 -0.04 1.49 1.51 2epwA9 ILE 936 HG13 0.02 0.20 0.22 -0.04 1.21 1.62 2epwA9 ILE 936 HG23 0.00 -0.01 -0.03 -0.04 0.93 0.85 2epwA9 ILE 936 HD13 0.02 -0.02 0.02 -0.04 0.88 0.87 2epwA9 MET 937 H -0.03 0.31 -0.21 -0.55 8.47 7.98 2epwA9 MET 937 HA -0.03 0.10 0.56 -0.75 4.52 4.40 2epwA9 MET 937 HB2 -0.04 0.08 0.03 -0.04 2.15 2.18 2epwA9 MET 937 HB3 -0.03 -0.00 0.06 -0.04 2.03 2.02 2epwA9 MET 937 HG2 -0.02 0.01 -0.01 -0.04 2.63 2.57 2epwA9 MET 937 HG3 -0.02 0.03 0.04 -0.04 2.56 2.56 2epwA9 MET 937 HE3 -0.03 0.00 -0.01 -0.04 2.10 2.03 2epwA9 HIS 938 H -0.04 0.26 -0.34 -0.55 8.41 7.74 2epwA9 HIS 938 HA -0.14 0.03 0.41 -0.75 4.63 4.18 2epwA9 HIS 938 HB2 -0.55 0.08 0.11 -0.04 3.26 2.87 2epwA9 HIS 938 HB3 -0.31 0.07 0.16 -0.04 3.20 3.08 2epwA9 HIS 938 HD2 0.13 -0.01 -0.15 -0.04 6.97 6.90 2epwA9 HIS 938 HE1 0.24 0.01 -0.03 -0.04 7.75 7.92 2epwA9 GLN 939 H 0.01 0.42 -0.43 -0.55 8.47 7.92 2epwA9 GLN 939 HA 0.11 0.04 0.55 -0.75 4.36 4.30 2epwA9 GLN 939 HB2 0.02 0.18 0.10 -0.04 2.15 2.41 2epwA9 GLN 939 HB3 0.04 -0.00 0.03 -0.04 2.02 2.04 2epwA9 GLN 939 HG2 0.11 -0.01 -0.02 -0.04 2.40 2.44 2epwA9 GLN 939 HG3 0.05 -0.02 -0.01 -0.04 2.39 2.36 2epwA9 GLN 939 HE21 0.03 0.04 0.02 -0.04 6.97 7.01 2epwA9 GLN 939 HE22 0.01 -0.03 0.04 -0.04 7.69 7.67 2epwA9 ARG 940 H -0.04 0.21 -0.36 -0.55 8.46 7.72 2epwA9 ARG 940 HA -0.02 0.03 0.31 -0.75 4.34 3.91 2epwA9 ARG 940 HB2 -0.03 -0.01 0.19 -0.04 1.90 2.00 2epwA9 ARG 940 HB3 -0.06 0.06 0.11 -0.04 1.80 1.88 2epwA9 ARG 940 HG2 -0.03 -0.03 -0.01 -0.04 1.67 1.56 2epwA9 ARG 940 HG3 -0.03 0.00 -0.08 -0.04 1.67 1.52 2epwA9 ARG 940 HD2 -0.02 0.00 0.03 -0.04 3.22 3.20 2epwA9 ARG 940 HD3 -0.02 0.00 0.03 -0.04 3.22 3.20 2epwA9 THR 941 H -0.14 0.24 -0.28 -0.55 8.28 7.55 2epwA9 THR 941 HA -0.09 0.05 0.41 -0.75 4.39 4.00 2epwA9 THR 941 HB -0.14 -0.03 0.06 -0.04 4.32 4.17 2epwA9 THR 941 HG23 -0.43 -0.00 0.00 -0.04 1.22 0.75 2epwA9 HIS 942 H -0.12 0.13 -0.62 -0.55 8.41 7.25 2epwA9 HIS 942 HA -0.07 0.06 0.50 -0.75 4.63 4.37 2epwA9 HIS 942 HB2 -0.09 0.06 0.28 -0.04 3.26 3.48 2epwA9 HIS 942 HB3 -0.04 -0.08 0.20 -0.04 3.20 3.24 2epwA9 HIS 942 HD2 -0.23 0.02 -0.07 -0.04 6.97 6.65 2epwA9 HIS 942 HE1 0.02 0.04 -0.15 -0.04 7.75 7.61 2epwA9 VAL 943 H 0.00 0.57 0.11 -0.55 8.24 8.37 2epwA9 VAL 943 HA 0.02 0.13 0.91 -0.75 4.13 4.43 2epwA9 VAL 943 HB -0.01 -0.17 0.13 -0.04 2.12 2.03 2epwA9 VAL 943 HG13 -0.01 0.03 -0.14 -0.04 0.97 0.81 2epwA9 VAL 943 HG23 -0.02 0.04 -0.05 -0.04 0.95 0.87 2epwA9 ASP 944 H -0.00 0.14 0.15 -0.55 8.40 8.13 2epwA9 ASP 944 HA -0.01 0.02 0.29 -0.75 4.63 4.17 2epwA9 ASP 944 HB2 -0.04 -0.05 -0.22 -0.04 2.71 2.36 2epwA9 ASP 944 HB3 -0.04 0.18 0.16 -0.04 2.70 2.96 2epwA9 ASP 945 H 0.01 0.02 -0.30 -0.55 8.40 7.59 2epwA9 ASP 945 HA 0.03 0.16 0.35 -0.75 4.63 4.41 2epwA9 ASP 945 HB2 0.01 0.09 -0.05 -0.04 2.71 2.72 2epwA9 ASP 945 HB3 0.01 -0.07 0.03 -0.04 2.70 2.63 2epwA9 LYS 946 H 0.02 -0.01 -0.17 -0.55 8.42 7.72 2epwA9 LYS 946 HA 0.04 0.12 0.54 -0.75 4.32 4.27 2epwA9 LYS 946 HB2 0.02 -0.02 0.07 -0.04 1.87 1.90 2epwA9 LYS 946 HB3 0.03 -0.02 0.16 -0.04 1.79 1.92 2epwA9 LYS 946 HG2 0.02 -0.02 -0.02 -0.04 1.46 1.40 2epwA9 LYS 946 HG3 0.03 0.04 -0.20 -0.04 1.46 1.30 2epwA9 LYS 946 HD2 0.01 -0.02 -0.02 -0.04 1.69 1.62 2epwA9 LYS 946 HD3 0.01 -0.02 -0.04 -0.04 1.68 1.60 2epwA9 LYS 946 HE2 0.02 0.05 -0.07 -0.04 2.99 2.95 2epwA9 LYS 946 HE3 0.02 0.02 -0.03 -0.04 2.99 2.96 2epwA9 HIS 947 H 0.11 0.38 0.19 -0.55 8.41 8.55 2epwA9 HIS 947 HA 0.00 0.12 0.91 -0.75 4.63 4.90 2epwA9 HIS 947 HB2 0.01 0.15 -0.06 -0.04 3.26 3.32 2epwA9 HIS 947 HB3 0.01 -0.03 0.07 -0.04 3.20 3.20 2epwA9 HIS 947 HD2 0.00 -0.12 0.17 -0.04 6.97 6.98 2epwA9 HIS 947 HE1 0.00 -0.05 -0.00 -0.04 7.75 7.66 2epwA9 SER 948 H 0.08 0.18 0.17 -0.55 8.46 8.34 2epwA9 SER 948 HA -0.09 0.13 0.89 -0.75 4.49 4.67 2epwA9 SER 948 HB2 -0.04 -0.01 0.05 -0.04 3.95 3.92 2epwA9 SER 948 HB3 -0.00 -0.00 -0.03 -0.04 3.93 3.85 2epwA9 GLY 949 H -0.10 0.03 0.09 -0.55 8.43 7.90 2epwA9 GLY 949 HA2 -0.10 0.07 0.44 -0.51 4.01 3.90 2epwA9 GLY 949 HA3 -0.17 0.09 0.41 -0.51 4.01 3.83 2epwA9 PRO 950 HA -0.03 0.11 0.45 -0.51 4.44 4.46 2epwA9 PRO 950 HB2 -0.02 0.03 0.01 -0.04 2.28 2.25 2epwA9 PRO 950 HB3 -0.03 0.03 0.11 -0.04 2.02 2.09 2epwA9 PRO 950 HG2 -0.04 0.01 0.06 -0.04 2.03 2.02 2epwA9 PRO 950 HG3 -0.04 0.07 0.06 -0.04 2.03 2.08 2epwA9 PRO 950 HD2 -0.11 0.06 0.13 -0.04 3.68 3.72 2epwA9 PRO 950 HD3 -0.10 0.17 0.10 -0.04 3.65 3.78 2epwA9 SER 951 H -0.05 -0.07 -0.18 -0.55 8.46 7.63 2epwA9 SER 951 HA -0.02 0.20 0.75 -0.75 4.49 4.67 2epwA9 SER 951 HB2 -0.03 -0.05 0.05 -0.04 3.95 3.89 2epwA9 SER 951 HB3 -0.02 0.02 -0.10 -0.04 3.93 3.80 2epwA9 SER 952 H -0.01 0.15 0.06 -0.55 8.46 8.11 2epwA9 SER 952 HA -0.01 0.18 0.65 -0.75 4.49 4.56 2epwA9 SER 952 HB2 -0.01 0.06 0.10 -0.04 3.95 4.06 2epwA9 SER 952 HB3 -0.01 0.02 0.08 -0.04 3.93 3.97 2epwA9 GLY 953 H -0.01 0.31 -0.14 -0.55 8.43 8.04 2epwA9 GLY 953 HA2 -0.00 0.11 0.19 -0.51 4.01 3.79 2epwA9 GLY 953 HA3 -0.01 0.04 0.12 -0.51 4.01 3.65