============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 9 rings ring int. center anis. iso. HIS 10 0.900 -0.149 0.051 9.427 -99.200 -91.000 TYR 15 0.840 2.414 1.506 -4.322 -99.200 -91.000 HIS 16 0.900 -2.860 7.208 -4.310 -99.200 -91.000 PHE 19 1.000 6.297 9.550 -10.716 -99.200 -91.000 PHE 20 1.000 -1.395 15.577 -5.876 -99.200 -91.000 PHE 25 1.000 -2.685 11.152 -5.494 -99.200 -91.000 TRP 41 1.040 -3.737 -8.248 -1.276 -99.200 -91.000 TRP6 41 1.020 -2.987 -10.163 -2.433 -99.200 -91.000 TYR 44 0.840 0.716 -14.352 -10.702 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2ys2A10 GLY 1 HA2 -0.00 -0.07 0.20 -0.51 4.01 3.64 2ys2A10 GLY 1 HA3 -0.00 -0.04 0.18 -0.51 4.01 3.64 2ys2A10 SER 2 H -0.00 0.18 0.09 -0.55 8.46 8.18 2ys2A10 SER 2 HA -0.00 0.15 0.75 -0.75 4.49 4.64 2ys2A10 SER 2 HB2 -0.00 -0.07 0.11 -0.04 3.95 3.94 2ys2A10 SER 2 HB3 -0.00 0.07 -0.17 -0.04 3.93 3.78 2ys2A10 SER 3 H -0.00 0.11 0.11 -0.55 8.46 8.13 2ys2A10 SER 3 HA -0.00 -0.03 0.35 -0.75 4.49 4.05 2ys2A10 SER 3 HB2 -0.00 -0.02 0.15 -0.04 3.95 4.04 2ys2A10 SER 3 HB3 -0.00 0.01 0.13 -0.04 3.93 4.03 2ys2A10 GLY 4 H -0.00 0.04 0.17 -0.55 8.43 8.09 2ys2A10 GLY 4 HA2 -0.00 0.20 0.95 -0.51 4.01 4.65 2ys2A10 GLY 4 HA3 -0.00 -0.05 0.42 -0.51 4.01 3.87 2ys2A10 SER 5 H -0.00 0.07 0.17 -0.55 8.46 8.14 2ys2A10 SER 5 HA -0.01 0.07 0.45 -0.75 4.49 4.25 2ys2A10 SER 5 HB2 -0.00 -0.03 0.14 -0.04 3.95 4.02 2ys2A10 SER 5 HB3 -0.01 0.04 -0.04 -0.04 3.93 3.88 2ys2A10 SER 6 H -0.01 0.22 0.22 -0.55 8.46 8.35 2ys2A10 SER 6 HA -0.01 0.09 0.68 -0.75 4.49 4.50 2ys2A10 SER 6 HB2 -0.01 0.00 0.01 -0.04 3.95 3.91 2ys2A10 SER 6 HB3 -0.01 -0.06 0.02 -0.04 3.93 3.84 2ys2A10 GLY 7 H -0.02 0.12 0.03 -0.55 8.43 8.02 2ys2A10 GLY 7 HA2 -0.03 0.03 0.31 -0.51 4.01 3.81 2ys2A10 GLY 7 HA3 -0.03 0.14 0.63 -0.51 4.01 4.23 2ys2A10 ASN 8 H -0.04 0.14 0.03 -0.55 8.53 8.11 2ys2A10 ASN 8 HA -0.10 0.22 0.91 -0.75 4.76 5.04 2ys2A10 ASN 8 HB2 -0.02 0.11 0.09 -0.04 2.88 3.02 2ys2A10 ASN 8 HB3 -0.02 -0.02 -0.09 -0.04 2.79 2.61 2ys2A10 ASN 8 HD21 0.00 0.04 -0.03 -0.04 7.03 7.01 2ys2A10 ASN 8 HD22 -0.00 -0.00 0.02 -0.04 7.74 7.71 2ys2A10 PRO 9 HA -0.07 0.08 0.45 -0.51 4.44 4.39 2ys2A10 PRO 9 HB2 -0.12 0.04 -0.03 -0.04 2.28 2.13 2ys2A10 PRO 9 HB3 -0.10 0.01 0.08 -0.04 2.02 1.97 2ys2A10 PRO 9 HG2 -0.80 0.00 0.08 -0.04 2.03 1.27 2ys2A10 PRO 9 HG3 -0.22 0.05 0.03 -0.04 2.03 1.85 2ys2A10 PRO 9 HD2 -0.29 0.20 0.13 -0.04 3.68 3.67 2ys2A10 PRO 9 HD3 -0.14 0.07 -0.18 -0.04 3.65 3.35 2ys2A10 HIS 10 H -0.45 0.14 -0.04 -0.55 8.41 7.51 2ys2A10 HIS 10 HA 0.02 0.25 0.83 -0.75 4.63 4.97 2ys2A10 HIS 10 HB2 0.01 -0.05 0.03 -0.04 3.26 3.22 2ys2A10 HIS 10 HB3 0.01 0.06 -0.08 -0.04 3.20 3.15 2ys2A10 HIS 10 HD2 0.00 -0.01 -0.25 -0.04 6.97 6.66 2ys2A10 HIS 10 HE1 0.00 0.02 -0.02 -0.04 7.75 7.71 2ys2A10 LEU 11 H 0.14 0.27 0.08 -0.55 8.37 8.31 2ys2A10 LEU 11 HA 0.10 0.03 0.50 -0.75 4.35 4.22 2ys2A10 LEU 11 HB2 0.05 0.18 -0.06 -0.04 1.64 1.76 2ys2A10 LEU 11 HB3 0.06 0.01 -0.15 -0.04 1.64 1.52 2ys2A10 LEU 11 HG 0.02 0.03 -0.28 -0.04 1.64 1.37 2ys2A10 LEU 11 HD13 0.01 -0.02 0.05 -0.04 0.93 0.93 2ys2A10 LEU 11 HD23 0.03 0.01 -0.07 -0.04 0.89 0.81 2ys2A10 LEU 12 H -0.00 0.15 0.11 -0.55 8.37 8.08 2ys2A10 LEU 12 HA -0.07 0.04 0.31 -0.75 4.35 3.87 2ys2A10 LEU 12 HB2 -0.01 0.09 -0.34 -0.04 1.64 1.34 2ys2A10 LEU 12 HB3 -0.09 0.02 0.22 -0.04 1.64 1.74 2ys2A10 LEU 12 HG -0.06 -0.04 0.03 -0.04 1.64 1.53 2ys2A10 LEU 12 HD13 -0.04 0.01 -0.04 -0.04 0.93 0.81 2ys2A10 LEU 12 HD23 -0.13 0.01 0.01 -0.04 0.89 0.74 2ys2A10 VAL 13 H -0.04 -0.03 -0.22 -0.55 8.24 7.40 2ys2A10 VAL 13 HA 0.01 0.09 0.43 -0.75 4.13 3.91 2ys2A10 VAL 13 HB -0.10 -0.07 -0.02 -0.04 2.12 1.89 2ys2A10 VAL 13 HG13 -0.10 0.01 -0.09 -0.04 0.97 0.75 2ys2A10 VAL 13 HG23 -0.05 -0.02 0.03 -0.04 0.95 0.86 2ys2A10 LYS 14 H 0.01 0.08 0.15 -0.55 8.42 8.10 2ys2A10 LYS 14 HA 0.01 0.01 0.32 -0.75 4.32 3.90 2ys2A10 LYS 14 HB2 -0.05 -0.09 0.11 -0.04 1.87 1.79 2ys2A10 LYS 14 HB3 -0.09 0.17 -0.03 -0.04 1.79 1.80 2ys2A10 LYS 14 HG2 0.01 0.02 0.06 -0.04 1.46 1.52 2ys2A10 LYS 14 HG3 0.04 -0.08 0.16 -0.04 1.46 1.53 2ys2A10 LYS 14 HD2 0.01 -0.07 0.05 -0.04 1.69 1.64 2ys2A10 LYS 14 HD3 -0.02 0.21 -0.01 -0.04 1.68 1.82 2ys2A10 LYS 14 HE2 0.04 0.03 0.05 -0.04 2.99 3.07 2ys2A10 LYS 14 HE3 0.09 -0.23 0.16 -0.04 2.99 2.96 2ys2A10 TYR 15 H 0.12 0.13 0.17 -0.55 8.29 8.17 2ys2A10 TYR 15 HA -0.19 0.21 0.88 -0.75 4.56 4.71 2ys2A10 TYR 15 HB2 -0.07 -0.04 0.13 -0.04 3.06 3.04 2ys2A10 TYR 15 HB3 -0.09 0.18 -0.08 -0.04 2.98 2.94 2ys2A10 TYR 15 HD2 -0.08 0.01 -0.02 -0.04 7.15 7.01 2ys2A10 TYR 15 HE2 -0.09 0.02 -0.08 -0.04 6.85 6.66 2ys2A10 HIS 16 H -0.02 0.23 0.15 -0.55 8.41 8.23 2ys2A10 HIS 16 HA -0.41 -0.01 0.81 -0.75 4.63 4.26 2ys2A10 HIS 16 HB2 -0.18 0.09 0.22 -0.04 3.26 3.34 2ys2A10 HIS 16 HB3 -0.31 -0.03 0.05 -0.04 3.20 2.87 2ys2A10 HIS 16 HD2 -0.22 0.04 -0.02 -0.04 6.97 6.72 2ys2A10 HIS 16 HE1 -0.47 0.07 -0.28 -0.04 7.75 7.02 2ys2A10 SER 17 H -0.41 0.15 0.14 -0.55 8.46 7.80 2ys2A10 SER 17 HA -0.36 0.17 0.57 -0.75 4.49 4.11 2ys2A10 SER 17 HB2 -0.15 0.04 0.18 -0.04 3.95 3.97 2ys2A10 SER 17 HB3 -0.41 0.01 0.10 -0.04 3.93 3.59 2ys2A10 GLY 18 H -0.15 0.49 -0.62 -0.55 8.43 7.61 2ys2A10 GLY 18 HA2 -0.30 0.13 0.43 -0.51 4.01 3.76 2ys2A10 GLY 18 HA3 -0.04 -0.05 0.27 -0.51 4.01 3.67 2ys2A10 PHE 19 H 0.08 0.13 0.13 -0.55 8.34 8.13 2ys2A10 PHE 19 HA 0.15 0.21 0.67 -0.75 4.62 4.90 2ys2A10 PHE 19 HB2 0.05 0.01 0.01 -0.04 3.15 3.18 2ys2A10 PHE 19 HB3 0.07 0.00 0.11 -0.04 3.06 3.21 2ys2A10 PHE 19 HD2 0.05 0.01 0.03 -0.04 7.28 7.33 2ys2A10 PHE 19 HE2 0.04 0.03 -0.01 -0.04 7.38 7.40 2ys2A10 PHE 19 HZ 0.04 0.03 -0.02 -0.04 7.32 7.32 2ys2A10 PHE 20 H 0.34 0.21 0.11 -0.55 8.34 8.44 2ys2A10 PHE 20 HA -0.06 0.21 0.98 -0.75 4.62 5.00 2ys2A10 PHE 20 HB2 -0.39 -0.00 -0.11 -0.04 3.15 2.61 2ys2A10 PHE 20 HB3 -0.11 -0.01 0.14 -0.04 3.06 3.04 2ys2A10 PHE 20 HD2 -1.20 -0.05 -0.19 -0.04 7.28 5.80 2ys2A10 PHE 20 HE2 -0.35 0.05 -0.22 -0.04 7.38 6.82 2ys2A10 PHE 20 HZ -0.21 0.04 -0.28 -0.04 7.32 6.83 2ys2A10 VAL 21 H -0.33 0.47 0.19 -0.55 8.24 8.02 2ys2A10 VAL 21 HA -0.23 0.15 0.94 -0.75 4.13 4.24 2ys2A10 VAL 21 HB -0.11 -0.03 0.11 -0.04 2.12 2.04 2ys2A10 VAL 21 HG13 -0.04 -0.02 -0.30 -0.04 0.97 0.57 2ys2A10 VAL 21 HG23 -0.12 0.03 -0.18 -0.04 0.95 0.64 2ys2A10 ASP 22 H -0.18 0.14 0.14 -0.55 8.40 7.96 2ys2A10 ASP 22 HA -0.13 0.02 0.32 -0.75 4.63 4.09 2ys2A10 ASP 22 HB2 -0.12 -0.06 -0.12 -0.04 2.71 2.36 2ys2A10 ASP 22 HB3 -0.16 0.16 0.06 -0.04 2.70 2.72 2ys2A10 GLY 23 H -0.34 -0.00 -0.31 -0.55 8.43 7.23 2ys2A10 GLY 23 HA2 -0.09 -0.04 0.16 -0.51 4.01 3.54 2ys2A10 GLY 23 HA3 -0.08 0.04 0.30 -0.51 4.01 3.75 2ys2A10 LYS 24 H -1.49 0.18 -0.38 -0.55 8.42 6.17 2ys2A10 LYS 24 HA -0.14 0.04 0.46 -0.75 4.32 3.92 2ys2A10 LYS 24 HB2 -0.07 -0.00 0.08 -0.04 1.87 1.84 2ys2A10 LYS 24 HB3 -0.13 0.17 -0.13 -0.04 1.79 1.66 2ys2A10 LYS 24 HG2 -0.22 0.16 -0.16 -0.04 1.46 1.19 2ys2A10 LYS 24 HG3 -0.25 -0.07 -0.13 -0.04 1.46 0.97 2ys2A10 LYS 24 HD2 -0.05 0.03 -0.05 -0.04 1.69 1.58 2ys2A10 LYS 24 HD3 -0.07 -0.01 -0.05 -0.04 1.68 1.51 2ys2A10 LYS 24 HE2 -0.10 -0.05 -0.10 -0.04 2.99 2.71 2ys2A10 LYS 24 HE3 -0.06 -0.03 -0.09 -0.04 2.99 2.76 2ys2A10 PHE 25 H 0.14 0.18 0.17 -0.55 8.34 8.28 2ys2A10 PHE 25 HA 0.11 0.23 0.82 -0.75 4.62 5.03 2ys2A10 PHE 25 HB2 0.06 -0.16 0.18 -0.04 3.15 3.18 2ys2A10 PHE 25 HB3 0.03 -0.25 0.17 -0.04 3.06 2.97 2ys2A10 PHE 25 HD2 0.04 0.01 -0.06 -0.04 7.28 7.22 2ys2A10 PHE 25 HE2 -0.21 -0.01 -0.09 -0.04 7.38 7.04 2ys2A10 PHE 25 HZ -0.43 0.24 0.05 -0.04 7.32 7.14 2ys2A10 LEU 26 H 0.26 0.42 0.29 -0.55 8.37 8.79 2ys2A10 LEU 26 HA 0.08 0.29 0.88 -0.75 4.35 4.85 2ys2A10 LEU 26 HB2 0.18 -0.11 0.10 -0.04 1.64 1.77 2ys2A10 LEU 26 HB3 0.11 0.05 0.11 -0.04 1.64 1.87 2ys2A10 LEU 26 HG 0.03 0.13 -0.16 -0.04 1.64 1.60 2ys2A10 LEU 26 HD13 0.11 -0.05 -0.24 -0.04 0.93 0.71 2ys2A10 LEU 26 HD23 0.08 -0.00 -0.03 -0.04 0.89 0.89 2ys2A10 CYS 27 H 0.14 -0.07 0.09 -0.55 8.50 8.11 2ys2A10 CYS 27 HA 0.02 0.29 0.67 -0.75 4.58 4.79 2ys2A10 CYS 27 HB2 -0.06 0.02 -0.12 -0.04 2.97 2.77 2ys2A10 CYS 27 HB3 -0.05 0.16 -0.54 -0.04 2.97 2.50 2ys2A10 CYS 28 H 0.10 -0.21 -0.02 -0.55 8.50 7.82 2ys2A10 CYS 28 HA 0.02 0.32 0.83 -0.75 4.58 5.00 2ys2A10 CYS 28 HB2 0.05 0.08 -0.05 -0.04 2.97 3.00 2ys2A10 CYS 28 HB3 -0.00 0.06 -0.05 -0.04 2.97 2.93 2ys2A10 GLN 29 H 0.16 -0.28 -0.22 -0.55 8.47 7.58 2ys2A10 GLN 29 HA 0.11 0.30 0.31 -0.75 4.36 4.33 2ys2A10 GLN 29 HB2 0.05 0.19 -0.01 -0.04 2.15 2.34 2ys2A10 GLN 29 HB3 0.04 0.01 0.15 -0.04 2.02 2.18 2ys2A10 GLN 29 HG2 0.06 -0.20 -0.54 -0.04 2.40 1.68 2ys2A10 GLN 29 HG3 0.03 0.02 -0.21 -0.04 2.39 2.19 2ys2A10 GLN 29 HE21 0.04 0.12 -0.00 -0.04 6.97 7.08 2ys2A10 GLN 29 HE22 0.02 -0.05 0.05 -0.04 7.69 7.67 2ys2A10 GLN 30 H 0.24 -0.17 -0.17 -0.55 8.47 7.82 2ys2A10 GLN 30 HA 0.10 0.22 0.45 -0.75 4.36 4.38 2ys2A10 GLN 30 HB2 0.28 -0.07 0.01 -0.04 2.15 2.33 2ys2A10 GLN 30 HB3 0.15 -0.06 0.04 -0.04 2.02 2.11 2ys2A10 GLN 30 HG2 0.07 0.06 -0.04 -0.04 2.40 2.46 2ys2A10 GLN 30 HG3 0.09 -0.00 -0.19 -0.04 2.39 2.24 2ys2A10 GLN 30 HE21 0.04 -0.01 -0.05 -0.04 6.97 6.92 2ys2A10 GLN 30 HE22 0.03 0.20 -0.08 -0.04 7.69 7.80 2ys2A10 SER 31 H 0.10 0.14 0.05 -0.55 8.46 8.20 2ys2A10 SER 31 HA 0.08 0.30 0.90 -0.75 4.49 5.01 2ys2A10 SER 31 HB2 0.04 0.01 0.21 -0.04 3.95 4.17 2ys2A10 SER 31 HB3 0.04 0.07 0.04 -0.04 3.93 4.05 2ys2A10 CYS 32 H 0.19 0.28 -0.30 -0.55 8.50 8.11 2ys2A10 CYS 32 HA 0.07 0.15 0.55 -0.75 4.58 4.60 2ys2A10 CYS 32 HB2 0.09 0.07 -0.35 -0.04 2.97 2.73 2ys2A10 CYS 32 HB3 0.14 -0.08 -0.17 -0.04 2.97 2.82 2ys2A10 LYS 33 H 0.01 0.16 0.09 -0.55 8.42 8.12 2ys2A10 LYS 33 HA -0.48 0.16 0.57 -0.75 4.32 3.82 2ys2A10 LYS 33 HB2 -0.06 -0.03 0.13 -0.04 1.87 1.86 2ys2A10 LYS 33 HB3 -0.20 0.06 -0.04 -0.04 1.79 1.57 2ys2A10 LYS 33 HG2 -0.21 0.01 -0.05 -0.04 1.46 1.17 2ys2A10 LYS 33 HG3 -0.01 0.01 -0.06 -0.04 1.46 1.36 2ys2A10 LYS 33 HD2 -0.00 0.02 -0.02 -0.04 1.69 1.65 2ys2A10 LYS 33 HD3 -0.04 0.00 -0.01 -0.04 1.68 1.59 2ys2A10 LYS 33 HE2 -0.17 0.00 -0.03 -0.04 2.99 2.75 2ys2A10 LYS 33 HE3 -0.05 -0.01 -0.03 -0.04 2.99 2.86 2ys2A10 ALA 34 H 0.01 0.05 -0.01 -0.55 8.40 7.91 2ys2A10 ALA 34 HA 0.06 0.25 0.75 -0.75 4.34 4.64 2ys2A10 ALA 34 HB3 0.01 0.01 0.09 -0.04 1.41 1.48 2ys2A10 ALA 35 H 0.20 0.09 -0.84 -0.55 8.40 7.31 2ys2A10 ALA 35 HA 0.09 0.05 0.22 -0.75 4.34 3.94 2ys2A10 ALA 35 HB3 0.18 0.03 -0.14 -0.04 1.41 1.44 2ys2A10 PRO 36 HA -0.02 0.05 0.42 -0.51 4.44 4.38 2ys2A10 PRO 36 HB2 -0.03 0.14 -0.06 -0.04 2.28 2.28 2ys2A10 PRO 36 HB3 -0.01 0.01 0.08 -0.04 2.02 2.06 2ys2A10 PRO 36 HG2 0.00 0.05 0.02 -0.04 2.03 2.06 2ys2A10 PRO 36 HG3 0.01 0.03 0.04 -0.04 2.03 2.07 2ys2A10 PRO 36 HD2 0.05 0.01 0.12 -0.04 3.68 3.83 2ys2A10 PRO 36 HD3 0.04 0.13 0.13 -0.04 3.65 3.90 2ys2A10 GLY 37 H -0.14 0.11 0.07 -0.55 8.43 7.93 2ys2A10 GLY 37 HA2 -0.84 -0.12 0.08 -0.51 4.01 2.62 2ys2A10 GLY 37 HA3 -0.27 0.08 0.03 -0.51 4.01 3.34 2ys2A10 CYS 38 H -0.67 -0.03 0.01 -0.55 8.50 7.25 2ys2A10 CYS 38 HA -0.13 0.20 0.58 -0.75 4.58 4.48 2ys2A10 CYS 38 HB2 -0.09 0.06 -0.05 -0.04 2.97 2.85 2ys2A10 CYS 38 HB3 -0.08 -0.01 0.01 -0.04 2.97 2.84 2ys2A10 THR 39 H -0.30 0.05 0.08 -0.55 8.28 7.56 2ys2A10 THR 39 HA -0.12 0.02 0.38 -0.75 4.39 3.92 2ys2A10 THR 39 HB -0.30 -0.07 0.16 -0.04 4.32 4.07 2ys2A10 THR 39 HG23 -0.18 -0.03 0.05 -0.04 1.22 1.02 2ys2A10 LEU 40 H -0.04 0.11 0.16 -0.55 8.37 8.06 2ys2A10 LEU 40 HA 0.03 0.15 0.89 -0.75 4.35 4.66 2ys2A10 LEU 40 HB2 -0.00 0.07 0.05 -0.04 1.64 1.72 2ys2A10 LEU 40 HB3 0.03 0.01 0.02 -0.04 1.64 1.66 2ys2A10 LEU 40 HG 0.03 -0.02 0.00 -0.04 1.64 1.61 2ys2A10 LEU 40 HD13 0.11 -0.02 -0.03 -0.04 0.93 0.95 2ys2A10 LEU 40 HD23 0.02 0.01 0.01 -0.04 0.89 0.89 2ys2A10 TRP 41 H 0.21 0.12 0.12 -0.55 7.97 7.87 2ys2A10 TRP 41 HA -0.02 -0.00 0.36 -0.75 4.62 4.20 2ys2A10 TRP 41 HB2 -0.03 -0.02 0.18 -0.04 3.23 3.32 2ys2A10 TRP 41 HB3 -0.03 0.00 0.10 -0.04 3.23 3.26 2ys2A10 TRP 41 HD1 -0.02 -0.01 0.06 -0.04 7.22 7.21 2ys2A10 TRP 41 HE1 -0.01 0.01 0.02 -0.04 10.20 10.17 2ys2A10 TRP 41 HE3 -0.05 -0.01 -0.64 -0.04 7.59 6.84 2ys2A10 TRP 41 HZ2 -0.02 -0.01 -0.02 -0.04 7.44 7.35 2ys2A10 TRP 41 HZ3 -0.09 -0.08 -0.22 -0.04 7.13 6.70 2ys2A10 TRP 41 HH2 -0.05 -0.03 -0.06 -0.04 7.19 7.02 2ys2A10 GLU 42 H -0.41 0.17 0.25 -0.55 8.60 8.06 2ys2A10 GLU 42 HA 0.21 0.13 0.68 -0.75 4.29 4.56 2ys2A10 GLU 42 HB2 -0.02 -0.17 0.08 -0.04 2.09 1.94 2ys2A10 GLU 42 HB3 0.03 0.15 -0.06 -0.04 1.99 2.07 2ys2A10 GLU 42 HG2 -0.07 0.25 -0.02 -0.04 2.34 2.45 2ys2A10 GLU 42 HG3 -0.13 -0.03 -0.15 -0.04 2.34 1.99 2ys2A10 ALA 43 H -0.08 0.11 0.14 -0.55 8.40 8.02 2ys2A10 ALA 43 HA -0.22 0.22 0.97 -0.75 4.34 4.54 2ys2A10 ALA 43 HB3 -0.41 0.02 0.03 -0.04 1.41 1.01 2ys2A10 TYR 44 H -0.30 0.24 0.22 -0.55 8.29 7.90 2ys2A10 TYR 44 HA -0.00 0.07 0.43 -0.75 4.56 4.31 2ys2A10 TYR 44 HB2 0.00 -0.08 0.14 -0.04 3.06 3.08 2ys2A10 TYR 44 HB3 -0.00 0.22 0.08 -0.04 2.98 3.24 2ys2A10 TYR 44 HD2 0.01 0.08 -0.36 -0.04 7.15 6.85 2ys2A10 TYR 44 HE2 0.03 0.02 -0.06 -0.04 6.85 6.80 2ys2A10 SER 45 H 0.19 0.15 0.14 -0.55 8.46 8.39 2ys2A10 SER 45 HA 0.09 0.05 0.31 -0.75 4.49 4.19 2ys2A10 SER 45 HB2 0.10 0.03 0.15 -0.04 3.95 4.20 2ys2A10 SER 45 HB3 0.16 -0.06 -0.02 -0.04 3.93 3.97 2ys2A10 GLY 46 H 0.07 -0.08 -0.35 -0.55 8.43 7.52 2ys2A10 GLY 46 HA2 0.04 0.09 0.45 -0.51 4.01 4.08 2ys2A10 GLY 46 HA3 0.03 -0.05 0.30 -0.51 4.01 3.78 2ys2A10 PRO 47 HA 0.02 0.06 0.43 -0.51 4.44 4.43 2ys2A10 PRO 47 HB2 0.01 0.14 0.03 -0.04 2.28 2.41 2ys2A10 PRO 47 HB3 0.01 0.01 0.11 -0.04 2.02 2.11 2ys2A10 PRO 47 HG2 0.02 0.03 -0.02 -0.04 2.03 2.02 2ys2A10 PRO 47 HG3 0.01 0.04 0.05 -0.04 2.03 2.09 2ys2A10 PRO 47 HD2 0.03 -0.08 0.14 -0.04 3.68 3.73 2ys2A10 PRO 47 HD3 0.02 0.13 0.14 -0.04 3.65 3.89 2ys2A10 SER 48 H 0.01 0.06 0.13 -0.55 8.46 8.12 2ys2A10 SER 48 HA 0.02 0.19 0.61 -0.75 4.49 4.55 2ys2A10 SER 48 HB2 0.01 0.00 0.06 -0.04 3.95 3.99 2ys2A10 SER 48 HB3 0.01 0.04 0.06 -0.04 3.93 4.01 2ys2A10 SER 49 H 0.01 0.17 0.09 -0.55 8.46 8.18 2ys2A10 SER 49 HA 0.01 0.10 0.70 -0.75 4.49 4.55 2ys2A10 SER 49 HB2 0.01 0.02 0.20 -0.04 3.95 4.14 2ys2A10 SER 49 HB3 0.01 -0.00 0.04 -0.04 3.93 3.93 2ys2A10 GLY 50 H 0.01 0.24 0.04 -0.55 8.43 8.17 2ys2A10 GLY 50 HA2 0.01 0.07 0.10 -0.51 4.01 3.68 2ys2A10 GLY 50 HA3 0.01 0.05 0.17 -0.51 4.01 3.73