============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 8 rings ring int. center anis. iso. TRP 6 1.040 7.620 -13.600 -7.263 -99.200 -91.000 TRP6 6 1.020 5.507 -14.548 -6.876 -99.200 -91.000 PHE 7 1.000 2.744 -8.400 -7.358 -99.200 -91.000 TRP 14 1.040 10.261 -0.559 2.852 -99.200 -91.000 TRP6 14 1.020 12.091 0.913 2.827 -99.200 -91.000 PHE 19 1.000 2.911 0.179 2.107 -99.200 -91.000 HIS 30 0.900 -12.539 0.368 -8.018 -99.200 -91.000 TYR 34 0.840 -18.230 -8.882 -0.786 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2o00A10 ARG 1 HA -0.03 -0.04 0.13 -0.75 4.34 3.64 2o00A10 ARG 1 HB2 -0.02 0.02 0.06 -0.04 1.90 1.92 2o00A10 ARG 1 HB3 -0.03 -0.02 0.18 -0.04 1.80 1.90 2o00A10 ARG 1 HG2 -0.02 -0.01 0.04 -0.04 1.67 1.63 2o00A10 ARG 1 HG3 -0.02 0.01 0.04 -0.04 1.67 1.66 2o00A10 ARG 1 HD2 -0.01 0.01 0.02 -0.04 3.22 3.20 2o00A10 ARG 1 HD3 -0.01 -0.00 0.03 -0.04 3.22 3.20 2o00A10 GLN 2 H -0.06 0.23 -0.03 -0.55 8.47 8.06 2o00A10 GLN 2 HA -0.12 0.19 0.99 -0.75 4.36 4.66 2o00A10 GLN 2 HB2 -0.08 0.03 0.17 -0.04 2.15 2.23 2o00A10 GLN 2 HB3 -0.11 -0.04 0.11 -0.04 2.02 1.94 2o00A10 GLN 2 HG2 -0.06 0.14 -0.51 -0.04 2.40 1.93 2o00A10 GLN 2 HG3 -0.05 0.04 -0.10 -0.04 2.39 2.23 2o00A10 GLN 2 HE21 -0.03 0.01 -0.04 -0.04 6.97 6.87 2o00A10 GLN 2 HE22 -0.03 -0.00 -0.02 -0.04 7.69 7.60 2o00A10 ILE 3 H -0.13 0.27 -0.13 -0.55 8.25 7.71 2o00A10 ILE 3 HA -0.17 0.21 0.70 -0.75 4.18 4.17 2o00A10 ILE 3 HB -0.04 0.04 -0.00 -0.04 1.89 1.85 2o00A10 ILE 3 HG12 -0.02 0.05 -0.04 -0.04 1.49 1.44 2o00A10 ILE 3 HG13 -0.06 -0.10 -0.17 -0.04 1.21 0.83 2o00A10 ILE 3 HG23 -0.02 0.02 0.04 -0.04 0.93 0.93 2o00A10 ILE 3 HD13 -0.03 0.03 -0.12 -0.04 0.88 0.72 2o00A10 LYS 4 H -0.40 0.10 -0.27 -0.55 8.42 7.30 2o00A10 LYS 4 HA -2.15 0.20 0.70 -0.75 4.32 2.31 2o00A10 LYS 4 HB2 -0.43 0.05 0.03 -0.04 1.87 1.48 2o00A10 LYS 4 HB3 -0.84 0.04 0.14 -0.04 1.79 1.09 2o00A10 LYS 4 HG2 0.06 0.05 -0.06 -0.04 1.46 1.47 2o00A10 LYS 4 HG3 -0.17 -0.12 -0.08 -0.04 1.46 1.06 2o00A10 LYS 4 HD2 -0.05 0.04 0.01 -0.04 1.69 1.65 2o00A10 LYS 4 HD3 0.07 0.02 0.01 -0.04 1.68 1.74 2o00A10 LYS 4 HE2 0.14 0.00 -0.01 -0.04 2.99 3.08 2o00A10 LYS 4 HE3 0.04 -0.02 -0.03 -0.04 2.99 2.95 2o00A10 ILE 5 H -0.55 0.19 -0.66 -0.55 8.25 6.69 2o00A10 ILE 5 HA -0.22 0.20 0.57 -0.75 4.18 3.96 2o00A10 ILE 5 HB -0.14 0.09 -0.00 -0.04 1.89 1.80 2o00A10 ILE 5 HG12 -0.25 -0.23 -0.19 -0.04 1.49 0.77 2o00A10 ILE 5 HG13 -0.12 0.08 0.01 -0.04 1.21 1.14 2o00A10 ILE 5 HG23 -0.02 -0.00 -0.10 -0.04 0.93 0.77 2o00A10 ILE 5 HD13 -0.10 0.03 -0.10 -0.04 0.88 0.66 2o00A10 TRP 6 H -0.95 0.31 -0.86 -0.55 7.97 5.93 2o00A10 TRP 6 HA -0.08 0.06 0.26 -0.75 4.62 4.11 2o00A10 TRP 6 HB2 -0.41 0.02 -0.05 -0.04 3.23 2.75 2o00A10 TRP 6 HB3 -0.20 0.01 0.08 -0.04 3.23 3.08 2o00A10 TRP 6 HD1 -0.06 -0.02 0.04 -0.04 7.22 7.14 2o00A10 TRP 6 HE1 -0.02 -0.01 0.04 -0.04 10.20 10.16 2o00A10 TRP 6 HE3 0.01 -0.08 0.02 -0.04 7.59 7.49 2o00A10 TRP 6 HZ2 0.01 -0.02 0.02 -0.04 7.44 7.41 2o00A10 TRP 6 HZ3 0.13 -0.03 0.06 -0.04 7.13 7.25 2o00A10 TRP 6 HH2 0.04 -0.02 0.05 -0.04 7.19 7.21 2o00A10 PHE 7 H 0.26 0.08 -0.76 -0.55 8.34 7.37 2o00A10 PHE 7 HA 0.09 0.13 0.55 -0.75 4.62 4.64 2o00A10 PHE 7 HB2 0.07 0.05 -0.01 -0.04 3.15 3.22 2o00A10 PHE 7 HB3 0.04 -0.03 0.13 -0.04 3.06 3.17 2o00A10 PHE 7 HD2 0.17 0.02 -0.01 -0.04 7.28 7.42 2o00A10 PHE 7 HE2 0.13 0.01 -0.02 -0.04 7.38 7.46 2o00A10 PHE 7 HZ 0.05 0.00 -0.02 -0.04 7.32 7.31 2o00A10 GLN 8 H 0.07 0.24 -0.66 -0.55 8.47 7.57 2o00A10 GLN 8 HA 0.06 -0.03 0.27 -0.75 4.36 3.91 2o00A10 GLN 8 HB2 0.06 0.11 -0.39 -0.04 2.15 1.89 2o00A10 GLN 8 HB3 0.02 0.01 0.06 -0.04 2.02 2.07 2o00A10 GLN 8 HG2 0.10 -0.11 0.12 -0.04 2.40 2.47 2o00A10 GLN 8 HG3 0.03 -0.02 0.08 -0.04 2.39 2.44 2o00A10 GLN 8 HE21 0.08 -0.06 0.07 -0.04 6.97 7.02 2o00A10 GLN 8 HE22 0.05 0.01 0.04 -0.04 7.69 7.74 2o00A10 ASN 9 H 0.05 0.30 0.02 -0.55 8.53 8.35 2o00A10 ASN 9 HA 0.03 0.16 1.01 -0.75 4.76 5.21 2o00A10 ASN 9 HB2 0.03 0.02 0.04 -0.04 2.88 2.92 2o00A10 ASN 9 HB3 0.04 0.01 0.08 -0.04 2.79 2.88 2o00A10 ASN 9 HD21 -0.03 0.11 -0.47 -0.04 7.03 6.60 2o00A10 ASN 9 HD22 -0.05 0.01 -0.06 -0.04 7.74 7.60 2o00A10 ARG 10 H 0.07 0.02 0.04 -0.55 8.46 8.04 2o00A10 ARG 10 HA 0.05 0.18 0.44 -0.75 4.34 4.26 2o00A10 ARG 10 HB2 0.06 -0.04 -0.09 -0.04 1.90 1.79 2o00A10 ARG 10 HB3 0.04 0.26 -0.03 -0.04 1.80 2.04 2o00A10 ARG 10 HG2 0.14 -0.30 -0.46 -0.04 1.67 1.01 2o00A10 ARG 10 HG3 0.06 0.24 -0.36 -0.04 1.67 1.57 2o00A10 ARG 10 HD2 0.08 -0.18 -0.67 -0.04 3.22 2.41 2o00A10 ARG 10 HD3 0.07 0.11 -0.22 -0.04 3.22 3.13 2o00A10 ARG 11 H 0.16 0.13 -0.01 -0.55 8.46 8.18 2o00A10 ARG 11 HA 0.18 0.07 0.40 -0.75 4.34 4.24 2o00A10 ARG 11 HB2 0.04 -0.02 -0.14 -0.04 1.90 1.74 2o00A10 ARG 11 HB3 0.07 0.28 0.24 -0.04 1.80 2.35 2o00A10 ARG 11 HG2 0.02 0.04 -0.02 -0.04 1.67 1.67 2o00A10 ARG 11 HG3 0.07 -0.02 -0.04 -0.04 1.67 1.64 2o00A10 ARG 11 HD2 -0.16 -0.02 0.07 -0.04 3.22 3.07 2o00A10 ARG 11 HD3 -0.05 -0.01 0.03 -0.04 3.22 3.15 2o00A10 MET 12 H 0.11 0.82 -0.68 -0.55 8.47 8.18 2o00A10 MET 12 HA 0.17 0.13 0.46 -0.75 4.52 4.52 2o00A10 MET 12 HB2 0.07 0.11 0.08 -0.04 2.15 2.37 2o00A10 MET 12 HB3 0.05 -0.00 0.04 -0.04 2.03 2.08 2o00A10 MET 12 HG2 0.04 0.00 0.05 -0.04 2.63 2.68 2o00A10 MET 12 HG3 0.07 -0.00 0.08 -0.04 2.56 2.67 2o00A10 MET 12 HE3 0.09 -0.03 -0.19 -0.04 2.10 1.94 2o00A10 LYS 13 H 0.23 -0.12 -1.09 -0.55 8.42 6.87 2o00A10 LYS 13 HA -0.21 0.10 0.18 -0.75 4.32 3.63 2o00A10 LYS 13 HB2 -0.01 0.14 -0.54 -0.04 1.87 1.42 2o00A10 LYS 13 HB3 -0.04 -0.03 0.02 -0.04 1.79 1.69 2o00A10 LYS 13 HG2 -0.08 -0.04 -0.04 -0.04 1.46 1.27 2o00A10 LYS 13 HG3 -0.19 -0.09 -0.04 -0.04 1.46 1.11 2o00A10 LYS 13 HD2 -0.10 0.02 0.10 -0.04 1.69 1.68 2o00A10 LYS 13 HD3 -0.04 0.10 0.11 -0.04 1.68 1.81 2o00A10 LYS 13 HE2 -0.04 0.01 0.02 -0.04 2.99 2.94 2o00A10 LYS 13 HE3 -0.06 -0.05 -0.00 -0.04 2.99 2.84 2o00A10 TRP 14 H 0.32 0.31 -0.09 -0.55 7.97 7.96 2o00A10 TRP 14 HA -0.04 0.06 0.38 -0.75 4.62 4.27 2o00A10 TRP 14 HB2 -0.03 0.09 0.17 -0.04 3.23 3.43 2o00A10 TRP 14 HB3 -0.01 -0.07 0.14 -0.04 3.23 3.25 2o00A10 TRP 14 HD1 0.04 0.01 0.14 -0.04 7.22 7.36 2o00A10 TRP 14 HE1 0.09 0.01 0.03 -0.04 10.20 10.28 2o00A10 TRP 14 HE3 0.01 0.05 0.09 -0.04 7.59 7.69 2o00A10 TRP 14 HZ2 0.04 0.00 -0.00 -0.04 7.44 7.44 2o00A10 TRP 14 HZ3 0.01 0.09 0.03 -0.04 7.13 7.22 2o00A10 TRP 14 HH2 0.02 0.01 -0.00 -0.04 7.19 7.18 2o00A10 LYS 15 H -0.13 1.00 -0.13 -0.55 8.42 8.60 2o00A10 LYS 15 HA -0.48 -0.03 0.38 -0.75 4.32 3.43 2o00A10 LYS 15 HB2 -0.27 -0.10 0.15 -0.04 1.87 1.61 2o00A10 LYS 15 HB3 -0.44 0.33 0.05 -0.04 1.79 1.69 2o00A10 LYS 15 HG2 -0.62 0.01 -0.41 -0.04 1.46 0.41 2o00A10 LYS 15 HG3 -0.27 0.10 -0.26 -0.04 1.46 1.00 2o00A10 LYS 15 HD2 -0.10 -0.01 0.01 -0.04 1.69 1.55 2o00A10 LYS 15 HD3 -0.01 0.03 -0.01 -0.04 1.68 1.65 2o00A10 LYS 15 HE2 -0.24 0.03 -0.05 -0.04 2.99 2.69 2o00A10 LYS 15 HE3 -0.37 0.00 -0.10 -0.04 2.99 2.48 2o00A10 LYS 16 H -0.13 0.21 0.03 -0.55 8.42 7.97 2o00A10 LYS 16 HA -0.05 0.07 0.40 -0.75 4.32 3.99 2o00A10 LYS 16 HB2 -0.07 0.02 -0.39 -0.04 1.87 1.39 2o00A10 LYS 16 HB3 -0.03 0.07 0.31 -0.04 1.79 2.11 2o00A10 LYS 16 HG2 -0.03 -0.02 0.08 -0.04 1.46 1.45 2o00A10 LYS 16 HG3 -0.04 0.01 -0.00 -0.04 1.46 1.39 2o00A10 LYS 16 HD2 -0.00 0.00 -0.06 -0.04 1.69 1.59 2o00A10 LYS 16 HD3 -0.01 -0.00 -0.02 -0.04 1.68 1.61 2o00A10 LYS 16 HE2 -0.01 0.00 -0.02 -0.04 2.99 2.92 2o00A10 LYS 16 HE3 0.00 0.02 -0.01 -0.04 2.99 2.96 2o00A10 ARG 17 H -0.09 0.38 -0.51 -0.55 8.46 7.69 2o00A10 ARG 17 HA -0.00 0.12 0.47 -0.75 4.34 4.17 2o00A10 ARG 17 HB2 0.01 -0.02 0.19 -0.04 1.90 2.04 2o00A10 ARG 17 HB3 0.01 0.15 -0.06 -0.04 1.80 1.85 2o00A10 ARG 17 HG2 0.03 0.02 -0.14 -0.04 1.67 1.53 2o00A10 ARG 17 HG3 0.06 0.06 -0.17 -0.04 1.67 1.58 2o00A10 ARG 17 HD2 0.14 -0.02 -0.00 -0.04 3.22 3.30 2o00A10 ARG 17 HD3 0.07 0.02 -0.00 -0.04 3.22 3.26 2o00A10 VAL 18 H -0.26 0.01 -0.14 -0.55 8.24 7.29 2o00A10 VAL 18 HA -0.05 0.27 0.52 -0.75 4.13 4.12 2o00A10 VAL 18 HB -0.63 -0.14 0.12 -0.04 2.12 1.42 2o00A10 VAL 18 HG13 -0.10 0.06 -0.13 -0.04 0.97 0.75 2o00A10 VAL 18 HG23 -0.07 0.03 -0.00 -0.04 0.95 0.86 2o00A10 PHE 19 H -0.77 0.09 -0.01 -0.55 8.34 7.10 2o00A10 PHE 19 HA 0.02 0.12 0.29 -0.75 4.62 4.30 2o00A10 PHE 19 HB2 0.00 0.00 -0.10 -0.04 3.15 3.02 2o00A10 PHE 19 HB3 0.01 0.08 0.05 -0.04 3.06 3.15 2o00A10 PHE 19 HD2 0.01 0.03 -0.01 -0.04 7.28 7.27 2o00A10 PHE 19 HE2 0.01 0.02 0.02 -0.04 7.38 7.40 2o00A10 PHE 19 HZ -0.00 0.06 0.05 -0.04 7.32 7.39 2o00A10 ASN 20 H 0.04 -0.05 -1.20 -0.55 8.53 6.78 2o00A10 ASN 20 HA 0.05 0.15 0.43 -0.75 4.76 4.64 2o00A10 ASN 20 HB2 0.04 -0.07 -0.07 -0.04 2.88 2.74 2o00A10 ASN 20 HB3 -0.01 0.22 -0.02 -0.04 2.79 2.93 2o00A10 ASN 20 HD21 0.01 0.05 0.05 -0.04 7.03 7.10 2o00A10 ASN 20 HD22 0.01 0.00 0.05 -0.04 7.74 7.76 2o00A10 ASP 21 H -0.06 0.52 0.03 -0.55 8.40 8.34 2o00A10 ASP 21 HA -0.16 -0.19 0.57 -0.75 4.63 4.09 2o00A10 ASP 21 HB2 -0.20 0.20 0.22 -0.04 2.71 2.90 2o00A10 ASP 21 HB3 -0.68 -0.02 0.19 -0.04 2.70 2.14 2o00A10 ALA 22 H -0.01 0.09 -1.07 -0.55 8.40 6.87 2o00A10 ALA 22 HA 0.01 0.06 0.22 -0.75 4.34 3.88 2o00A10 ALA 22 HB3 0.05 -0.01 -0.03 -0.04 1.41 1.39 2o00A10 ARG 23 H -0.04 -0.24 -0.57 -0.55 8.46 7.06 2o00A10 ARG 23 HA -0.03 0.15 0.23 -0.75 4.34 3.94 2o00A10 ARG 23 HB2 0.01 0.08 -0.44 -0.04 1.90 1.51 2o00A10 ARG 23 HB3 0.01 -0.06 0.13 -0.04 1.80 1.83 2o00A10 ARG 23 HG2 0.02 -0.06 0.08 -0.04 1.67 1.67 2o00A10 ARG 23 HG3 0.02 -0.05 0.11 -0.04 1.67 1.71 2o00A10 ARG 23 HD2 0.01 0.06 0.13 -0.04 3.22 3.38 2o00A10 ARG 23 HD3 0.01 0.06 0.21 -0.04 3.22 3.46 2o00A10 ASP 24 H -0.08 0.02 -0.05 -0.55 8.40 7.75 2o00A10 ASP 24 HA -0.01 0.28 0.71 -0.75 4.63 4.85 2o00A10 ASP 24 HB2 -0.01 -0.05 -0.08 -0.04 2.71 2.53 2o00A10 ASP 24 HB3 -0.01 -0.31 0.04 -0.04 2.70 2.39 2o00A10 ILE 25 H -0.05 0.04 0.22 -0.55 8.25 7.91 2o00A10 ILE 25 HA -0.13 0.12 0.40 -0.75 4.18 3.82 2o00A10 ILE 25 HB -0.02 0.03 -0.36 -0.04 1.89 1.50 2o00A10 ILE 25 HG12 -0.04 0.28 0.32 -0.04 1.49 2.01 2o00A10 ILE 25 HG13 -0.02 -0.02 0.11 -0.04 1.21 1.24 2o00A10 ILE 25 HG23 -0.01 -0.03 -0.14 -0.04 0.93 0.71 2o00A10 ILE 25 HD13 -0.08 -0.02 0.09 -0.04 0.88 0.83 2o00A10 ILE 26 H -0.01 -0.18 0.18 -0.55 8.25 7.70 2o00A10 ILE 26 HA -0.00 0.28 0.79 -0.75 4.18 4.50 2o00A10 ILE 26 HB 0.03 -0.21 0.05 -0.04 1.89 1.72 2o00A10 ILE 26 HG12 -0.02 0.07 -0.03 -0.04 1.49 1.48 2o00A10 ILE 26 HG13 -0.02 0.24 -0.62 -0.04 1.21 0.78 2o00A10 ILE 26 HG23 0.03 0.03 0.12 -0.04 0.93 1.06 2o00A10 ILE 26 HD13 -0.01 0.00 -0.14 -0.04 0.88 0.68 2o00A10 GLN 27 H -0.00 0.22 0.25 -0.55 8.47 8.39 2o00A10 GLN 27 HA 0.02 0.04 0.42 -0.75 4.36 4.09 2o00A10 GLN 27 HB2 0.05 0.12 0.13 -0.04 2.15 2.41 2o00A10 GLN 27 HB3 0.04 0.23 0.10 -0.04 2.02 2.35 2o00A10 GLN 27 HG2 0.03 -0.03 0.14 -0.04 2.40 2.50 2o00A10 GLN 27 HG3 0.04 -0.03 0.21 -0.04 2.39 2.57 2o00A10 GLN 27 HE21 0.09 0.71 0.19 -0.04 6.97 7.92 2o00A10 GLN 27 HE22 0.07 -0.14 -0.02 -0.04 7.69 7.56 2o00A10 ARG 28 H 0.03 -0.40 -0.71 -0.55 8.46 6.83 2o00A10 ARG 28 HA 0.04 0.15 0.29 -0.75 4.34 4.06 2o00A10 ARG 28 HB2 0.04 -0.18 0.18 -0.04 1.90 1.91 2o00A10 ARG 28 HB3 0.04 0.22 0.16 -0.04 1.80 2.18 2o00A10 ARG 28 HG2 0.05 0.10 -0.22 -0.04 1.67 1.56 2o00A10 ARG 28 HG3 0.06 0.00 -0.05 -0.04 1.67 1.64 2o00A10 ARG 28 HD2 0.03 0.02 -0.10 -0.04 3.22 3.12 2o00A10 ARG 28 HD3 0.04 0.00 -0.23 -0.04 3.22 2.98 2o00A10 MET 29 H 0.02 -0.27 0.02 -0.55 8.47 7.69 2o00A10 MET 29 HA 0.03 -0.02 0.25 -0.75 4.52 4.03 2o00A10 MET 29 HB2 0.01 0.11 0.13 -0.04 2.15 2.36 2o00A10 MET 29 HB3 0.01 0.01 -0.03 -0.04 2.03 1.97 2o00A10 MET 29 HG2 0.02 -0.22 -0.77 -0.04 2.63 1.62 2o00A10 MET 29 HG3 0.01 0.24 -0.40 -0.04 2.56 2.36 2o00A10 MET 29 HE3 -0.07 0.02 -0.06 -0.04 2.10 1.95 2o00A10 HIS 30 H 0.10 -0.13 -0.71 -0.55 8.41 7.13 2o00A10 HIS 30 HA 0.00 0.01 0.27 -0.75 4.63 4.16 2o00A10 HIS 30 HB2 -0.00 -0.12 -0.20 -0.04 3.26 2.91 2o00A10 HIS 30 HB3 -0.01 0.20 0.24 -0.04 3.20 3.59 2o00A10 HIS 30 HD2 -0.00 -0.00 0.05 -0.04 6.97 6.96 2o00A10 HIS 30 HE1 0.00 -0.01 -0.00 -0.04 7.75 7.69 2o00A10 LEU 31 H 0.03 -0.01 0.03 -0.55 8.37 7.87 2o00A10 LEU 31 HA -0.06 0.22 0.76 -0.75 4.35 4.52 2o00A10 LEU 31 HB2 0.04 0.12 0.17 -0.04 1.64 1.92 2o00A10 LEU 31 HB3 0.08 -0.33 0.19 -0.04 1.64 1.54 2o00A10 LEU 31 HG -0.02 0.15 -0.16 -0.04 1.64 1.56 2o00A10 LEU 31 HD13 0.08 -0.03 -0.03 -0.04 0.93 0.90 2o00A10 LEU 31 HD23 -0.09 -0.01 0.03 -0.04 0.89 0.78 2o00A10 ARG 32 H 0.06 -0.01 0.06 -0.55 8.46 8.02 2o00A10 ARG 32 HA 0.00 0.12 0.45 -0.75 4.34 4.16 2o00A10 ARG 32 HB2 -0.06 0.17 -0.19 -0.04 1.90 1.78 2o00A10 ARG 32 HB3 -0.01 -0.01 -0.03 -0.04 1.80 1.70 2o00A10 ARG 32 HG2 -0.01 0.00 0.06 -0.04 1.67 1.68 2o00A10 ARG 32 HG3 -0.00 0.00 0.07 -0.04 1.67 1.70 2o00A10 ARG 32 HD2 -0.01 -0.02 0.02 -0.04 3.22 3.17 2o00A10 ARG 32 HD3 -0.02 0.06 0.07 -0.04 3.22 3.28 2o00A10 GLN 33 H 0.06 0.09 0.10 -0.55 8.47 8.17 2o00A10 GLN 33 HA 0.01 -0.05 0.42 -0.75 4.36 3.99 2o00A10 GLN 33 HB2 0.00 0.11 -0.24 -0.04 2.15 1.98 2o00A10 GLN 33 HB3 -0.02 0.08 0.23 -0.04 2.02 2.26 2o00A10 GLN 33 HG2 -0.01 0.05 0.01 -0.04 2.40 2.40 2o00A10 GLN 33 HG3 -0.02 -0.03 0.07 -0.04 2.39 2.37 2o00A10 GLN 33 HE21 0.01 0.02 -0.04 -0.04 6.97 6.92 2o00A10 GLN 33 HE22 0.00 0.04 -0.05 -0.04 7.69 7.65 2o00A10 TYR 34 H 0.29 0.01 0.02 -0.55 8.29 8.06 2o00A10 TYR 34 HA -0.01 0.23 0.48 -0.75 4.56 4.50 2o00A10 TYR 34 HB2 -0.01 0.06 0.09 -0.04 3.06 3.16 2o00A10 TYR 34 HB3 -0.02 -0.07 0.05 -0.04 2.98 2.90 2o00A10 TYR 34 HD2 -0.01 -0.05 -0.02 -0.04 7.15 7.03 2o00A10 TYR 34 HE2 -0.00 0.01 -0.05 -0.04 6.85 6.77 2o00A10 GLU 35 H -0.39 -0.08 -0.33 -0.55 8.60 7.25 2o00A10 GLU 35 HA -0.53 0.13 0.49 -0.75 4.29 3.62 2o00A10 GLU 35 HB2 -0.43 -0.06 0.07 -0.04 2.09 1.62 2o00A10 GLU 35 HB3 -0.21 0.07 -0.07 -0.04 1.99 1.74 2o00A10 GLU 35 HG2 -0.20 -0.01 0.07 -0.04 2.34 2.15 2o00A10 GLU 35 HG3 -0.48 0.03 0.03 -0.04 2.34 1.88 2o00A10 LEU 36 H -0.14 0.14 0.08 -0.55 8.37 7.90 2o00A10 LEU 36 HA -0.06 0.01 0.38 -0.75 4.35 3.93 2o00A10 LEU 36 HB2 -0.05 -0.04 0.01 -0.04 1.64 1.51 2o00A10 LEU 36 HB3 -0.07 0.13 -0.46 -0.04 1.64 1.19 2o00A10 LEU 36 HG -0.03 -0.05 -0.03 -0.04 1.64 1.49 2o00A10 LEU 36 HD13 -0.03 0.07 -0.13 -0.04 0.93 0.80 2o00A10 LEU 36 HD23 -0.03 -0.01 -0.09 -0.04 0.89 0.72 2o00A10 LEU 37 H -0.07 0.51 -1.29 -0.55 8.37 6.97 2o00A10 LEU 37 HA -0.01 0.05 0.11 -0.75 4.35 3.75 2o00A10 LEU 37 HB2 -0.01 0.26 -0.07 -0.04 1.64 1.78 2o00A10 LEU 37 HB3 0.02 -0.05 0.03 -0.04 1.64 1.60 2o00A10 LEU 37 HG -0.00 0.06 0.02 -0.04 1.64 1.68 2o00A10 LEU 37 HD13 0.03 -0.00 0.04 -0.04 0.93 0.95 2o00A10 LEU 37 HD23 0.00 -0.02 0.02 -0.04 0.89 0.85