============================================================================= 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 13.706 -13.992 -9.781 -99.200 -91.000 TRP6 6 1.020 14.574 -13.457 -11.895 -99.200 -91.000 PHE 7 1.000 11.522 -10.623 -2.465 -99.200 -91.000 TRP 14 1.040 10.042 2.942 -5.898 -99.200 -91.000 TRP6 14 1.020 9.604 1.560 -7.745 -99.200 -91.000 PHE 19 1.000 5.123 -1.880 -7.792 -99.200 -91.000 HIS 30 0.900 -7.946 7.976 -0.077 -99.200 -91.000 TYR 34 0.840 3.049 1.398 -14.273 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2o00A24 ARG 1 HA -0.02 -0.08 0.17 -0.75 4.34 3.66 2o00A24 ARG 1 HB2 0.03 0.02 0.09 -0.04 1.90 2.00 2o00A24 ARG 1 HB3 0.00 -0.00 0.15 -0.04 1.80 1.91 2o00A24 ARG 1 HG2 -0.01 0.01 0.02 -0.04 1.67 1.65 2o00A24 ARG 1 HG3 -0.01 -0.02 0.04 -0.04 1.67 1.63 2o00A24 ARG 1 HD2 0.02 0.00 0.03 -0.04 3.22 3.22 2o00A24 ARG 1 HD3 0.01 0.02 0.02 -0.04 3.22 3.23 2o00A24 GLN 2 H -0.04 0.03 0.09 -0.55 8.47 8.01 2o00A24 GLN 2 HA -0.28 -0.06 0.33 -0.75 4.36 3.60 2o00A24 GLN 2 HB2 0.10 -0.16 0.24 -0.04 2.15 2.28 2o00A24 GLN 2 HB3 -0.01 0.23 0.43 -0.04 2.02 2.63 2o00A24 GLN 2 HG2 0.16 0.26 -0.54 -0.04 2.40 2.24 2o00A24 GLN 2 HG3 0.11 -0.01 -0.38 -0.04 2.39 2.06 2o00A24 GLN 2 HE21 0.23 -0.04 -0.02 -0.04 6.97 7.09 2o00A24 GLN 2 HE22 0.27 0.00 -0.01 -0.04 7.69 7.91 2o00A24 ILE 3 H -0.07 0.19 0.18 -0.55 8.25 8.00 2o00A24 ILE 3 HA -0.03 0.24 0.80 -0.75 4.18 4.44 2o00A24 ILE 3 HB -0.05 0.06 0.04 -0.04 1.89 1.90 2o00A24 ILE 3 HG12 -0.03 0.11 0.02 -0.04 1.49 1.55 2o00A24 ILE 3 HG13 -0.02 -0.12 -0.03 -0.04 1.21 1.00 2o00A24 ILE 3 HG23 -0.08 0.03 0.09 -0.04 0.93 0.93 2o00A24 ILE 3 HD13 -0.05 0.02 0.06 -0.04 0.88 0.87 2o00A24 LYS 4 H -0.12 -0.07 -0.12 -0.55 8.42 7.56 2o00A24 LYS 4 HA 0.01 0.07 0.34 -0.75 4.32 3.99 2o00A24 LYS 4 HB2 -0.06 -0.05 -0.21 -0.04 1.87 1.51 2o00A24 LYS 4 HB3 -0.06 0.08 0.12 -0.04 1.79 1.90 2o00A24 LYS 4 HG2 -0.01 0.01 0.04 -0.04 1.46 1.46 2o00A24 LYS 4 HG3 0.00 0.19 0.24 -0.04 1.46 1.84 2o00A24 LYS 4 HD2 -0.04 -0.09 -0.17 -0.04 1.69 1.35 2o00A24 LYS 4 HD3 -0.03 0.00 -0.03 -0.04 1.68 1.58 2o00A24 LYS 4 HE2 -0.02 -0.01 0.00 -0.04 2.99 2.92 2o00A24 LYS 4 HE3 -0.02 0.05 0.04 -0.04 2.99 3.02 2o00A24 ILE 5 H -0.28 -0.02 -0.06 -0.55 8.25 7.34 2o00A24 ILE 5 HA -0.39 0.36 0.84 -0.75 4.18 4.23 2o00A24 ILE 5 HB -1.41 0.04 0.05 -0.04 1.89 0.53 2o00A24 ILE 5 HG12 -0.30 0.15 -0.18 -0.04 1.49 1.11 2o00A24 ILE 5 HG13 -0.32 -0.44 -0.08 -0.04 1.21 0.33 2o00A24 ILE 5 HG23 -0.94 0.04 0.06 -0.04 0.93 0.04 2o00A24 ILE 5 HD13 -0.28 0.05 -0.18 -0.04 0.88 0.42 2o00A24 TRP 6 H -0.06 -0.16 0.00 -0.55 7.97 7.21 2o00A24 TRP 6 HA 0.01 0.29 0.92 -0.75 4.62 5.09 2o00A24 TRP 6 HB2 0.10 0.04 0.06 -0.04 3.23 3.39 2o00A24 TRP 6 HB3 0.00 0.04 0.05 -0.04 3.23 3.27 2o00A24 TRP 6 HD1 0.08 0.09 0.04 -0.04 7.22 7.38 2o00A24 TRP 6 HE1 0.03 0.11 0.02 -0.04 10.20 10.32 2o00A24 TRP 6 HE3 0.01 -0.07 0.14 -0.04 7.59 7.63 2o00A24 TRP 6 HZ2 0.01 0.05 0.00 -0.04 7.44 7.46 2o00A24 TRP 6 HZ3 0.00 -0.00 0.03 -0.04 7.13 7.12 2o00A24 TRP 6 HH2 0.01 0.01 0.00 -0.04 7.19 7.17 2o00A24 PHE 7 H 0.38 0.09 -0.01 -0.55 8.34 8.24 2o00A24 PHE 7 HA 0.10 0.06 0.47 -0.75 4.62 4.50 2o00A24 PHE 7 HB2 0.05 -0.02 -0.02 -0.04 3.15 3.12 2o00A24 PHE 7 HB3 0.03 0.13 0.01 -0.04 3.06 3.19 2o00A24 PHE 7 HD2 0.08 0.01 0.03 -0.04 7.28 7.36 2o00A24 PHE 7 HE2 0.06 0.04 -0.02 -0.04 7.38 7.42 2o00A24 PHE 7 HZ 0.04 0.04 -0.03 -0.04 7.32 7.33 2o00A24 GLN 8 H 0.10 -0.03 -1.06 -0.55 8.47 6.93 2o00A24 GLN 8 HA 0.04 0.18 0.67 -0.75 4.36 4.50 2o00A24 GLN 8 HB2 0.02 -0.21 -0.12 -0.04 2.15 1.79 2o00A24 GLN 8 HB3 -0.02 0.19 0.16 -0.04 2.02 2.32 2o00A24 GLN 8 HG2 0.01 0.01 0.07 -0.04 2.40 2.44 2o00A24 GLN 8 HG3 0.03 0.04 -0.03 -0.04 2.39 2.40 2o00A24 GLN 8 HE21 0.00 0.01 0.01 -0.04 6.97 6.95 2o00A24 GLN 8 HE22 -0.01 0.00 0.01 -0.04 7.69 7.65 2o00A24 ASN 9 H 0.04 -0.15 -0.18 -0.55 8.53 7.69 2o00A24 ASN 9 HA 0.01 0.30 0.79 -0.75 4.76 5.11 2o00A24 ASN 9 HB2 0.15 -0.08 -0.08 -0.04 2.88 2.83 2o00A24 ASN 9 HB3 0.12 0.03 -0.03 -0.04 2.79 2.86 2o00A24 ASN 9 HD21 -0.05 -0.37 -0.84 -0.04 7.03 5.73 2o00A24 ASN 9 HD22 -0.10 -0.00 -0.02 -0.04 7.74 7.58 2o00A24 ARG 10 H 0.06 0.21 0.22 -0.55 8.46 8.40 2o00A24 ARG 10 HA -0.05 0.34 1.00 -0.75 4.34 4.88 2o00A24 ARG 10 HB2 0.04 0.04 0.15 -0.04 1.90 2.10 2o00A24 ARG 10 HB3 0.05 0.07 -0.01 -0.04 1.80 1.87 2o00A24 ARG 10 HG2 0.07 -0.08 -0.36 -0.04 1.67 1.26 2o00A24 ARG 10 HG3 0.05 0.05 -0.01 -0.04 1.67 1.72 2o00A24 ARG 10 HD2 0.07 0.07 0.16 -0.04 3.22 3.47 2o00A24 ARG 10 HD3 0.06 0.00 0.02 -0.04 3.22 3.27 2o00A24 ARG 11 H -0.01 -0.03 0.10 -0.55 8.46 7.97 2o00A24 ARG 11 HA -0.01 0.07 0.86 -0.75 4.34 4.52 2o00A24 ARG 11 HB2 -0.21 0.02 0.11 -0.04 1.90 1.78 2o00A24 ARG 11 HB3 -0.06 0.01 0.10 -0.04 1.80 1.80 2o00A24 ARG 11 HG2 -0.05 -0.36 0.24 -0.04 1.67 1.46 2o00A24 ARG 11 HG3 -0.32 0.03 0.08 -0.04 1.67 1.42 2o00A24 ARG 11 HD2 0.31 0.09 0.06 -0.04 3.22 3.65 2o00A24 ARG 11 HD3 0.06 0.12 -0.50 -0.04 3.22 2.86 2o00A24 MET 12 H -0.06 -0.01 -0.33 -0.55 8.47 7.52 2o00A24 MET 12 HA -0.04 0.18 0.37 -0.75 4.52 4.28 2o00A24 MET 12 HB2 -0.05 -0.12 -0.17 -0.04 2.15 1.76 2o00A24 MET 12 HB3 -0.09 0.09 -0.09 -0.04 2.03 1.90 2o00A24 MET 12 HG2 -0.03 0.05 0.06 -0.04 2.63 2.67 2o00A24 MET 12 HG3 0.00 0.03 0.02 -0.04 2.56 2.57 2o00A24 MET 12 HE3 -0.02 0.01 0.01 -0.04 2.10 2.05 2o00A24 LYS 13 H -0.29 -0.12 -1.05 -0.55 8.42 6.41 2o00A24 LYS 13 HA -0.58 0.23 0.66 -0.75 4.32 3.87 2o00A24 LYS 13 HB2 -1.11 0.03 0.08 -0.04 1.87 0.83 2o00A24 LYS 13 HB3 -3.35 0.03 0.03 -0.04 1.79 -1.53 2o00A24 LYS 13 HG2 -0.79 0.04 -0.02 -0.04 1.46 0.64 2o00A24 LYS 13 HG3 -0.49 0.03 -0.18 -0.04 1.46 0.78 2o00A24 LYS 13 HD2 -0.34 -0.08 -0.03 -0.04 1.69 1.21 2o00A24 LYS 13 HD3 -0.47 0.00 0.03 -0.04 1.68 1.20 2o00A24 LYS 13 HE2 -0.09 0.00 0.03 -0.04 2.99 2.89 2o00A24 LYS 13 HE3 -0.16 0.01 -0.02 -0.04 2.99 2.78 2o00A24 TRP 14 H -0.21 -0.03 0.12 -0.55 7.97 7.30 2o00A24 TRP 14 HA -0.02 0.22 0.50 -0.75 4.62 4.57 2o00A24 TRP 14 HB2 -0.05 -0.01 0.12 -0.04 3.23 3.24 2o00A24 TRP 14 HB3 -0.01 0.12 0.07 -0.04 3.23 3.36 2o00A24 TRP 14 HD1 0.03 0.06 -0.10 -0.04 7.22 7.17 2o00A24 TRP 14 HE1 0.06 0.04 -0.05 -0.04 10.20 10.20 2o00A24 TRP 14 HE3 0.06 0.04 -0.25 -0.04 7.59 7.40 2o00A24 TRP 14 HZ2 0.09 0.04 -0.01 -0.04 7.44 7.52 2o00A24 TRP 14 HZ3 0.44 -0.01 0.04 -0.04 7.13 7.56 2o00A24 TRP 14 HH2 0.12 0.03 0.02 -0.04 7.19 7.31 2o00A24 LYS 15 H 0.17 0.03 0.15 -0.55 8.42 8.22 2o00A24 LYS 15 HA -0.17 0.04 0.51 -0.75 4.32 3.95 2o00A24 LYS 15 HB2 0.22 0.22 0.33 -0.04 1.87 2.60 2o00A24 LYS 15 HB3 0.00 -0.07 0.36 -0.04 1.79 2.04 2o00A24 LYS 15 HG2 0.01 -0.29 0.03 -0.04 1.46 1.17 2o00A24 LYS 15 HG3 0.46 0.08 0.09 -0.04 1.46 2.04 2o00A24 LYS 15 HD2 0.09 0.09 -0.03 -0.04 1.69 1.80 2o00A24 LYS 15 HD3 -0.02 -0.02 -0.03 -0.04 1.68 1.57 2o00A24 LYS 15 HE2 -0.42 0.04 -0.01 -0.04 2.99 2.56 2o00A24 LYS 15 HE3 -0.14 -0.22 0.01 -0.04 2.99 2.60 2o00A24 LYS 16 H -0.01 0.22 0.12 -0.55 8.42 8.20 2o00A24 LYS 16 HA 0.06 0.07 0.30 -0.75 4.32 3.99 2o00A24 LYS 16 HB2 0.04 0.01 -0.38 -0.04 1.87 1.49 2o00A24 LYS 16 HB3 0.01 0.10 0.03 -0.04 1.79 1.88 2o00A24 LYS 16 HG2 0.08 -0.01 0.10 -0.04 1.46 1.58 2o00A24 LYS 16 HG3 0.07 0.02 0.01 -0.04 1.46 1.52 2o00A24 LYS 16 HD2 0.03 0.03 -0.03 -0.04 1.69 1.68 2o00A24 LYS 16 HD3 0.04 -0.01 0.02 -0.04 1.68 1.69 2o00A24 LYS 16 HE2 0.04 -0.00 -0.00 -0.04 2.99 2.98 2o00A24 LYS 16 HE3 0.05 -0.00 -0.01 -0.04 2.99 2.99 2o00A24 ARG 17 H -0.07 -0.11 -0.60 -0.55 8.46 7.13 2o00A24 ARG 17 HA -0.03 -0.04 0.22 -0.75 4.34 3.74 2o00A24 ARG 17 HB2 0.03 0.31 0.31 -0.04 1.90 2.51 2o00A24 ARG 17 HB3 0.03 -0.04 0.18 -0.04 1.80 1.92 2o00A24 ARG 17 HG2 0.05 -0.18 -0.63 -0.04 1.67 0.86 2o00A24 ARG 17 HG3 0.16 0.08 -0.13 -0.04 1.67 1.74 2o00A24 ARG 17 HD2 0.00 -0.01 -0.00 -0.04 3.22 3.17 2o00A24 ARG 17 HD3 -0.22 -0.08 -0.05 -0.04 3.22 2.83 2o00A24 VAL 18 H -0.23 0.64 -0.06 -0.55 8.24 8.04 2o00A24 VAL 18 HA -0.11 0.12 0.49 -0.75 4.13 3.87 2o00A24 VAL 18 HB -0.61 -0.02 0.33 -0.04 2.12 1.78 2o00A24 VAL 18 HG13 -0.27 -0.04 -0.09 -0.04 0.97 0.54 2o00A24 VAL 18 HG23 -0.11 0.04 0.06 -0.04 0.95 0.90 2o00A24 PHE 19 H -0.78 0.14 0.06 -0.55 8.34 7.21 2o00A24 PHE 19 HA -0.04 0.06 0.32 -0.75 4.62 4.20 2o00A24 PHE 19 HB2 -0.04 -0.00 -0.05 -0.04 3.15 3.02 2o00A24 PHE 19 HB3 -0.07 0.07 0.07 -0.04 3.06 3.08 2o00A24 PHE 19 HD2 -0.04 -0.01 0.04 -0.04 7.28 7.23 2o00A24 PHE 19 HE2 0.03 0.01 0.03 -0.04 7.38 7.41 2o00A24 PHE 19 HZ -0.24 0.03 -0.02 -0.04 7.32 7.05 2o00A24 ASN 20 H 0.03 -0.02 -1.18 -0.55 8.53 6.81 2o00A24 ASN 20 HA 0.05 0.12 0.46 -0.75 4.76 4.63 2o00A24 ASN 20 HB2 0.03 -0.17 -0.00 -0.04 2.88 2.70 2o00A24 ASN 20 HB3 0.02 0.20 0.09 -0.04 2.79 3.06 2o00A24 ASN 20 HD21 0.03 -0.02 0.01 -0.04 7.03 7.01 2o00A24 ASN 20 HD22 0.03 0.02 -0.01 -0.04 7.74 7.73 2o00A24 ASP 21 H -0.00 0.50 0.14 -0.55 8.40 8.49 2o00A24 ASP 21 HA 0.01 0.06 0.30 -0.75 4.63 4.25 2o00A24 ASP 21 HB2 -0.02 0.14 0.25 -0.04 2.71 3.04 2o00A24 ASP 21 HB3 -0.00 -0.10 -0.04 -0.04 2.70 2.52 2o00A24 ALA 22 H 0.02 0.35 -0.70 -0.55 8.40 7.52 2o00A24 ALA 22 HA 0.02 -0.19 0.40 -0.75 4.34 3.81 2o00A24 ALA 22 HB3 0.05 0.05 0.03 -0.04 1.41 1.50 2o00A24 ARG 23 H 0.02 0.96 -0.51 -0.55 8.46 8.37 2o00A24 ARG 23 HA 0.01 0.07 0.69 -0.75 4.34 4.36 2o00A24 ARG 23 HB2 0.01 0.07 0.24 -0.04 1.90 2.19 2o00A24 ARG 23 HB3 0.01 -0.05 0.17 -0.04 1.80 1.89 2o00A24 ARG 23 HG2 0.03 0.11 0.12 -0.04 1.67 1.88 2o00A24 ARG 23 HG3 0.01 -0.08 0.10 -0.04 1.67 1.66 2o00A24 ARG 23 HD2 0.01 0.01 -0.03 -0.04 3.22 3.16 2o00A24 ARG 23 HD3 0.01 -0.02 -0.06 -0.04 3.22 3.11 2o00A24 ASP 24 H 0.01 0.08 -0.46 -0.55 8.40 7.49 2o00A24 ASP 24 HA 0.01 0.22 0.86 -0.75 4.63 4.97 2o00A24 ASP 24 HB2 0.01 0.30 0.06 -0.04 2.71 3.04 2o00A24 ASP 24 HB3 0.01 -0.07 0.05 -0.04 2.70 2.64 2o00A24 ILE 25 H 0.01 0.00 0.17 -0.55 8.25 7.88 2o00A24 ILE 25 HA 0.01 0.06 0.32 -0.75 4.18 3.82 2o00A24 ILE 25 HB 0.01 -0.01 0.22 -0.04 1.89 2.06 2o00A24 ILE 25 HG12 0.01 0.15 -0.31 -0.04 1.49 1.29 2o00A24 ILE 25 HG13 0.01 -0.21 -0.59 -0.04 1.21 0.38 2o00A24 ILE 25 HG23 0.01 -0.01 0.19 -0.04 0.93 1.07 2o00A24 ILE 25 HD13 0.00 0.00 -0.05 -0.04 0.88 0.80 2o00A24 ILE 26 H 0.01 -0.04 0.28 -0.55 8.25 7.95 2o00A24 ILE 26 HA 0.02 0.31 0.98 -0.75 4.18 4.73 2o00A24 ILE 26 HB 0.01 0.03 -0.04 -0.04 1.89 1.85 2o00A24 ILE 26 HG12 0.01 0.11 -0.05 -0.04 1.49 1.51 2o00A24 ILE 26 HG13 0.01 -0.27 0.01 -0.04 1.21 0.92 2o00A24 ILE 26 HG23 0.00 0.04 -0.03 -0.04 0.93 0.90 2o00A24 ILE 26 HD13 0.01 -0.00 -0.12 -0.04 0.88 0.73 2o00A24 GLN 27 H 0.02 0.10 0.26 -0.55 8.47 8.30 2o00A24 GLN 27 HA 0.02 0.05 0.35 -0.75 4.36 4.04 2o00A24 GLN 27 HB2 0.02 0.02 0.35 -0.04 2.15 2.50 2o00A24 GLN 27 HB3 0.02 0.10 0.08 -0.04 2.02 2.18 2o00A24 GLN 27 HG2 0.03 -0.09 0.18 -0.04 2.40 2.48 2o00A24 GLN 27 HG3 0.04 -0.02 0.09 -0.04 2.39 2.46 2o00A24 GLN 27 HE21 0.02 0.04 -0.07 -0.04 6.97 6.91 2o00A24 GLN 27 HE22 0.02 0.00 -0.15 -0.04 7.69 7.52 2o00A24 ARG 28 H 0.02 -0.11 -1.18 -0.55 8.46 6.64 2o00A24 ARG 28 HA 0.02 0.22 0.91 -0.75 4.34 4.74 2o00A24 ARG 28 HB2 0.02 0.06 0.06 -0.04 1.90 2.00 2o00A24 ARG 28 HB3 0.01 0.00 -0.12 -0.04 1.80 1.66 2o00A24 ARG 28 HG2 0.02 0.08 -0.39 -0.04 1.67 1.35 2o00A24 ARG 28 HG3 0.02 0.06 -0.13 -0.04 1.67 1.57 2o00A24 ARG 28 HD2 0.01 -0.02 -0.19 -0.04 3.22 2.98 2o00A24 ARG 28 HD3 0.02 -0.25 -0.24 -0.04 3.22 2.70 2o00A24 MET 29 H 0.04 1.07 0.12 -0.55 8.47 9.15 2o00A24 MET 29 HA 0.06 0.13 0.58 -0.75 4.52 4.54 2o00A24 MET 29 HB2 0.01 0.01 0.14 -0.04 2.15 2.27 2o00A24 MET 29 HB3 0.02 0.01 0.27 -0.04 2.03 2.29 2o00A24 MET 29 HG2 0.03 -0.27 0.19 -0.04 2.63 2.53 2o00A24 MET 29 HG3 0.07 -0.09 0.06 -0.04 2.56 2.55 2o00A24 MET 29 HE3 0.04 -0.01 -0.15 -0.04 2.10 1.95 2o00A24 HIS 30 H 0.09 -0.03 -0.11 -0.55 8.41 7.82 2o00A24 HIS 30 HA -0.00 0.11 0.23 -0.75 4.63 4.21 2o00A24 HIS 30 HB2 -0.00 -0.04 -0.46 -0.04 3.26 2.71 2o00A24 HIS 30 HB3 -0.01 -0.05 0.14 -0.04 3.20 3.24 2o00A24 HIS 30 HD2 -0.00 -0.05 0.05 -0.04 6.97 6.92 2o00A24 HIS 30 HE1 -0.00 -0.04 0.05 -0.04 7.75 7.71 2o00A24 LEU 31 H 0.03 0.02 -0.08 -0.55 8.37 7.80 2o00A24 LEU 31 HA 0.00 0.24 0.84 -0.75 4.35 4.68 2o00A24 LEU 31 HB2 0.02 0.01 0.06 -0.04 1.64 1.69 2o00A24 LEU 31 HB3 0.02 -0.13 0.19 -0.04 1.64 1.68 2o00A24 LEU 31 HG 0.02 0.01 -0.19 -0.04 1.64 1.44 2o00A24 LEU 31 HD13 0.01 -0.02 -0.04 -0.04 0.93 0.84 2o00A24 LEU 31 HD23 -0.00 0.01 0.00 -0.04 0.89 0.86 2o00A24 ARG 32 H 0.00 0.04 0.01 -0.55 8.46 7.96 2o00A24 ARG 32 HA -0.00 -0.02 0.34 -0.75 4.34 3.90 2o00A24 ARG 32 HB2 -0.04 0.05 -0.40 -0.04 1.90 1.47 2o00A24 ARG 32 HB3 -0.03 -0.02 0.16 -0.04 1.80 1.87 2o00A24 ARG 32 HG2 -0.02 -0.03 0.20 -0.04 1.67 1.77 2o00A24 ARG 32 HG3 -0.05 0.04 0.12 -0.04 1.67 1.74 2o00A24 ARG 32 HD2 -0.02 -0.06 0.01 -0.04 3.22 3.10 2o00A24 ARG 32 HD3 -0.03 -0.03 0.04 -0.04 3.22 3.16 2o00A24 GLN 33 H 0.03 0.09 0.05 -0.55 8.47 8.10 2o00A24 GLN 33 HA 0.02 0.32 1.02 -0.75 4.36 4.96 2o00A24 GLN 33 HB2 0.22 0.04 0.19 -0.04 2.15 2.56 2o00A24 GLN 33 HB3 0.07 0.06 0.05 -0.04 2.02 2.16 2o00A24 GLN 33 HG2 0.08 0.05 0.10 -0.04 2.40 2.59 2o00A24 GLN 33 HG3 0.10 0.06 0.09 -0.04 2.39 2.60 2o00A24 GLN 33 HE21 0.05 -0.01 0.04 -0.04 6.97 7.01 2o00A24 GLN 33 HE22 0.08 0.06 0.03 -0.04 7.69 7.82 2o00A24 TYR 34 H 0.29 0.12 0.10 -0.55 8.29 8.25 2o00A24 TYR 34 HA -0.05 0.17 0.50 -0.75 4.56 4.43 2o00A24 TYR 34 HB2 -0.07 -0.08 0.18 -0.04 3.06 3.06 2o00A24 TYR 34 HB3 -0.06 0.10 0.25 -0.04 2.98 3.23 2o00A24 TYR 34 HD2 -0.08 -0.05 0.03 -0.04 7.15 7.01 2o00A24 TYR 34 HE2 -0.09 0.00 0.00 -0.04 6.85 6.72 2o00A24 GLU 35 H 0.01 0.55 -0.56 -0.55 8.60 8.05 2o00A24 GLU 35 HA 0.02 0.09 0.24 -0.75 4.29 3.89 2o00A24 GLU 35 HB2 -0.01 0.08 0.01 -0.04 2.09 2.13 2o00A24 GLU 35 HB3 -0.02 -0.07 0.10 -0.04 1.99 1.96 2o00A24 GLU 35 HG2 -0.00 -0.05 0.11 -0.04 2.34 2.36 2o00A24 GLU 35 HG3 0.00 0.01 0.01 -0.04 2.34 2.33 2o00A24 LEU 36 H -0.01 0.13 0.10 -0.55 8.37 8.05 2o00A24 LEU 36 HA -0.00 0.09 0.32 -0.75 4.35 4.01 2o00A24 LEU 36 HB2 -0.01 0.04 0.09 -0.04 1.64 1.71 2o00A24 LEU 36 HB3 -0.01 0.00 0.13 -0.04 1.64 1.72 2o00A24 LEU 36 HG -0.01 0.03 -0.02 -0.04 1.64 1.60 2o00A24 LEU 36 HD13 -0.02 -0.05 0.02 -0.04 0.93 0.84 2o00A24 LEU 36 HD23 -0.02 -0.00 -0.34 -0.04 0.89 0.49 2o00A24 LEU 37 H -0.03 -0.08 -0.89 -0.55 8.37 6.83 2o00A24 LEU 37 HA -0.04 0.03 0.05 -0.75 4.35 3.63 2o00A24 LEU 37 HB2 -0.08 -0.04 -0.10 -0.04 1.64 1.38 2o00A24 LEU 37 HB3 -0.13 0.02 -0.02 -0.04 1.64 1.47 2o00A24 LEU 37 HG -0.05 -0.04 -0.04 -0.04 1.64 1.47 2o00A24 LEU 37 HD13 -0.09 0.01 -0.00 -0.04 0.93 0.81 2o00A24 LEU 37 HD23 -0.07 0.00 -0.01 -0.04 0.89 0.78