============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 5 rings ring int. center anis. iso. TYR 13 0.840 -10.116 -6.758 0.934 -99.200 -91.000 PHE 22 1.000 -3.733 -3.706 -4.369 -99.200 -91.000 HIS 27 0.900 -1.141 -9.546 -2.327 -99.200 -91.000 HIS 31 0.900 -1.119 0.175 -3.873 -99.200 -91.000 HIS 35 0.900 -0.948 5.434 -3.849 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2ytnA2 GLY 1 HA2 -0.00 -0.03 0.13 -0.51 4.01 3.60 2ytnA2 GLY 1 HA3 -0.00 -0.04 0.20 -0.51 4.01 3.66 2ytnA2 SER 2 H -0.00 0.31 0.13 -0.55 8.46 8.35 2ytnA2 SER 2 HA -0.00 0.10 0.71 -0.75 4.49 4.54 2ytnA2 SER 2 HB2 -0.00 0.04 -0.09 -0.04 3.95 3.86 2ytnA2 SER 2 HB3 -0.00 -0.13 0.03 -0.04 3.93 3.79 2ytnA2 SER 3 H -0.00 0.04 0.13 -0.55 8.46 8.08 2ytnA2 SER 3 HA -0.00 0.28 0.91 -0.75 4.49 4.92 2ytnA2 SER 3 HB2 -0.00 -0.05 0.14 -0.04 3.95 4.00 2ytnA2 SER 3 HB3 -0.00 -0.04 -0.01 -0.04 3.93 3.84 2ytnA2 GLY 4 H -0.00 0.04 0.13 -0.55 8.43 8.06 2ytnA2 GLY 4 HA2 -0.00 0.02 0.33 -0.51 4.01 3.85 2ytnA2 GLY 4 HA3 -0.00 0.10 0.33 -0.51 4.01 3.93 2ytnA2 SER 5 H -0.00 -0.01 -0.42 -0.55 8.46 7.49 2ytnA2 SER 5 HA -0.00 0.22 0.54 -0.75 4.49 4.49 2ytnA2 SER 5 HB2 -0.00 0.03 -0.03 -0.04 3.95 3.91 2ytnA2 SER 5 HB3 -0.00 -0.05 0.08 -0.04 3.93 3.92 2ytnA2 SER 6 H -0.00 0.32 -0.81 -0.55 8.46 7.42 2ytnA2 SER 6 HA -0.00 0.15 0.89 -0.75 4.49 4.77 2ytnA2 SER 6 HB2 -0.00 -0.05 -0.09 -0.04 3.95 3.76 2ytnA2 SER 6 HB3 -0.00 0.02 0.06 -0.04 3.93 3.96 2ytnA2 GLY 7 H -0.00 0.18 0.08 -0.55 8.43 8.14 2ytnA2 GLY 7 HA2 -0.00 -0.00 0.32 -0.51 4.01 3.81 2ytnA2 GLY 7 HA3 -0.00 0.14 0.79 -0.51 4.01 4.43 2ytnA2 THR 8 H -0.01 0.26 0.20 -0.55 8.28 8.18 2ytnA2 THR 8 HA -0.01 0.15 0.79 -0.75 4.39 4.56 2ytnA2 THR 8 HB -0.01 0.02 -0.13 -0.04 4.32 4.16 2ytnA2 THR 8 HG23 -0.01 0.00 -0.08 -0.04 1.22 1.09 2ytnA2 GLY 9 H -0.01 0.07 0.06 -0.55 8.43 8.00 2ytnA2 GLY 9 HA2 -0.01 0.13 0.47 -0.51 4.01 4.08 2ytnA2 GLY 9 HA3 -0.01 0.09 0.25 -0.51 4.01 3.83 2ytnA2 LYS 10 H -0.01 0.06 0.10 -0.55 8.42 8.01 2ytnA2 LYS 10 HA -0.03 0.04 0.36 -0.75 4.32 3.94 2ytnA2 LYS 10 HB2 -0.03 0.04 0.02 -0.04 1.87 1.86 2ytnA2 LYS 10 HB3 -0.02 0.03 0.12 -0.04 1.79 1.88 2ytnA2 LYS 10 HG2 -0.02 -0.17 0.15 -0.04 1.46 1.39 2ytnA2 LYS 10 HG3 -0.02 0.03 0.12 -0.04 1.46 1.54 2ytnA2 LYS 10 HD2 -0.01 0.03 0.04 -0.04 1.69 1.71 2ytnA2 LYS 10 HD3 -0.01 0.01 0.04 -0.04 1.68 1.68 2ytnA2 LYS 10 HE2 -0.01 0.01 0.01 -0.04 2.99 2.95 2ytnA2 LYS 10 HE3 -0.02 -0.01 0.01 -0.04 2.99 2.93 2ytnA2 LYS 11 H -0.04 0.19 0.28 -0.55 8.42 8.29 2ytnA2 LYS 11 HA -0.04 0.15 0.79 -0.75 4.32 4.46 2ytnA2 LYS 11 HB2 -0.02 0.03 -0.02 -0.04 1.87 1.82 2ytnA2 LYS 11 HB3 -0.01 -0.13 -0.13 -0.04 1.79 1.48 2ytnA2 LYS 11 HG2 -0.02 0.06 -0.80 -0.04 1.46 0.67 2ytnA2 LYS 11 HG3 -0.01 -0.00 -0.18 -0.04 1.46 1.23 2ytnA2 LYS 11 HD2 -0.02 -0.02 -0.12 -0.04 1.69 1.49 2ytnA2 LYS 11 HD3 -0.01 -0.10 -0.08 -0.04 1.68 1.45 2ytnA2 LYS 11 HE2 -0.02 -0.04 0.10 -0.04 2.99 2.98 2ytnA2 LYS 11 HE3 -0.02 0.21 -0.01 -0.04 2.99 3.13 2ytnA2 PRO 12 HA -0.37 0.09 0.45 -0.51 4.44 4.10 2ytnA2 PRO 12 HB2 -0.30 0.07 -0.03 -0.04 2.28 1.98 2ytnA2 PRO 12 HB3 -0.16 0.03 0.10 -0.04 2.02 1.95 2ytnA2 PRO 12 HG2 0.07 -0.01 -0.03 -0.04 2.03 2.01 2ytnA2 PRO 12 HG3 0.01 0.03 0.03 -0.04 2.03 2.06 2ytnA2 PRO 12 HD2 -0.02 0.11 0.13 -0.04 3.68 3.85 2ytnA2 PRO 12 HD3 -0.05 0.17 0.11 -0.04 3.65 3.85 2ytnA2 TYR 13 H 0.03 0.15 -0.09 -0.55 8.29 7.82 2ytnA2 TYR 13 HA 0.06 0.15 0.64 -0.75 4.56 4.66 2ytnA2 TYR 13 HB2 0.15 0.03 0.04 -0.04 3.06 3.23 2ytnA2 TYR 13 HB3 0.08 -0.02 0.00 -0.04 2.98 3.01 2ytnA2 TYR 13 HD2 0.05 0.18 -0.14 -0.04 7.15 7.20 2ytnA2 TYR 13 HE2 0.01 0.07 0.03 -0.04 6.85 6.92 2ytnA2 LYS 14 H 0.13 0.23 0.06 -0.55 8.42 8.29 2ytnA2 LYS 14 HA 0.16 0.36 1.10 -0.75 4.32 5.19 2ytnA2 LYS 14 HB2 0.05 -0.00 -0.11 -0.04 1.87 1.76 2ytnA2 LYS 14 HB3 0.06 -0.03 -0.02 -0.04 1.79 1.76 2ytnA2 LYS 14 HG2 0.07 -0.04 -0.46 -0.04 1.46 0.99 2ytnA2 LYS 14 HG3 0.04 0.18 -0.18 -0.04 1.46 1.47 2ytnA2 LYS 14 HD2 0.02 0.02 -0.09 -0.04 1.69 1.60 2ytnA2 LYS 14 HD3 0.03 -0.06 -0.16 -0.04 1.68 1.45 2ytnA2 LYS 14 HE2 0.03 0.03 -0.10 -0.04 2.99 2.91 2ytnA2 LYS 14 HE3 0.02 0.08 -0.01 -0.04 2.99 3.04 2ytnA2 CYS 15 H 0.18 0.76 0.15 -0.55 8.50 9.04 2ytnA2 CYS 15 HA 0.17 0.13 0.66 -0.75 4.58 4.78 2ytnA2 CYS 15 HB2 0.39 0.14 0.08 -0.04 2.97 3.54 2ytnA2 CYS 15 HB3 0.24 -0.43 0.30 -0.04 2.97 3.04 2ytnA2 ASN 16 H 0.06 0.24 0.19 -0.55 8.53 8.47 2ytnA2 ASN 16 HA 0.03 0.17 0.38 -0.75 4.76 4.58 2ytnA2 ASN 16 HB2 0.03 0.04 0.08 -0.04 2.88 2.99 2ytnA2 ASN 16 HB3 0.02 -0.03 0.09 -0.04 2.79 2.83 2ytnA2 ASN 16 HD21 -0.01 -0.04 -0.13 -0.04 7.03 6.81 2ytnA2 ASN 16 HD22 -0.01 0.02 -0.01 -0.04 7.74 7.70 2ytnA2 GLU 17 H -0.00 -0.20 -0.66 -0.55 8.60 7.19 2ytnA2 GLU 17 HA -0.13 0.25 0.75 -0.75 4.29 4.41 2ytnA2 GLU 17 HB2 -0.41 -0.15 0.07 -0.04 2.09 1.57 2ytnA2 GLU 17 HB3 -0.99 0.10 -0.07 -0.04 1.99 1.00 2ytnA2 GLU 17 HG2 -0.24 0.08 -0.02 -0.04 2.34 2.11 2ytnA2 GLU 17 HG3 -0.13 -0.02 -0.15 -0.04 2.34 2.01 2ytnA2 CYS 18 H 0.05 -0.17 0.03 -0.55 8.50 7.86 2ytnA2 CYS 18 HA 0.07 0.29 0.85 -0.75 4.58 5.03 2ytnA2 CYS 18 HB2 0.18 0.06 0.00 -0.04 2.97 3.18 2ytnA2 CYS 18 HB3 0.41 0.07 -0.01 -0.04 2.97 3.40 2ytnA2 GLY 19 H 0.12 -0.15 0.21 -0.55 8.43 8.06 2ytnA2 GLY 19 HA2 0.05 0.17 0.33 -0.51 4.01 4.05 2ytnA2 GLY 19 HA3 0.03 0.22 0.88 -0.51 4.01 4.64 2ytnA2 LYS 20 H 0.11 -0.15 0.14 -0.55 8.42 7.96 2ytnA2 LYS 20 HA -0.09 0.19 0.49 -0.75 4.32 4.15 2ytnA2 LYS 20 HB2 -0.03 -0.01 0.09 -0.04 1.87 1.88 2ytnA2 LYS 20 HB3 -0.18 -0.03 -0.02 -0.04 1.79 1.52 2ytnA2 LYS 20 HG2 -0.66 0.03 0.12 -0.04 1.46 0.90 2ytnA2 LYS 20 HG3 -0.21 0.06 0.08 -0.04 1.46 1.35 2ytnA2 LYS 20 HD2 -0.09 0.00 -0.00 -0.04 1.69 1.56 2ytnA2 LYS 20 HD3 -0.38 -0.01 -0.02 -0.04 1.68 1.24 2ytnA2 LYS 20 HE2 -0.15 0.01 0.02 -0.04 2.99 2.84 2ytnA2 LYS 20 HE3 -0.07 0.02 0.00 -0.04 2.99 2.90 2ytnA2 VAL 21 H -0.39 0.21 0.21 -0.55 8.24 7.72 2ytnA2 VAL 21 HA 0.05 0.36 1.05 -0.75 4.13 4.84 2ytnA2 VAL 21 HB -0.11 -0.03 0.03 -0.04 2.12 1.97 2ytnA2 VAL 21 HG13 0.02 -0.02 -0.12 -0.04 0.97 0.81 2ytnA2 VAL 21 HG23 -0.02 0.06 -0.23 -0.04 0.95 0.71 2ytnA2 PHE 22 H 0.32 0.64 0.22 -0.55 8.34 8.97 2ytnA2 PHE 22 HA 0.05 0.15 0.94 -0.75 4.62 5.00 2ytnA2 PHE 22 HB2 0.08 0.05 0.05 -0.04 3.15 3.28 2ytnA2 PHE 22 HB3 0.10 -0.06 0.03 -0.04 3.06 3.10 2ytnA2 PHE 22 HD2 0.07 0.05 -0.16 -0.04 7.28 7.20 2ytnA2 PHE 22 HE2 -0.15 -0.01 -0.15 -0.04 7.38 7.03 2ytnA2 PHE 22 HZ -1.25 0.00 -0.07 -0.04 7.32 5.96 2ytnA2 THR 23 H 0.08 0.22 0.12 -0.55 8.28 8.15 2ytnA2 THR 23 HA 0.10 0.07 0.35 -0.75 4.39 4.16 2ytnA2 THR 23 HB 0.02 0.04 0.13 -0.04 4.32 4.48 2ytnA2 THR 23 HG23 -0.03 -0.03 0.03 -0.04 1.22 1.14 2ytnA2 GLN 24 H 0.07 0.01 -0.64 -0.55 8.47 7.37 2ytnA2 GLN 24 HA 0.04 0.24 0.94 -0.75 4.36 4.83 2ytnA2 GLN 24 HB2 -0.36 -0.04 0.02 -0.04 2.15 1.73 2ytnA2 GLN 24 HB3 -0.14 -0.06 0.01 -0.04 2.02 1.79 2ytnA2 GLN 24 HG2 -0.04 0.13 -0.09 -0.04 2.40 2.37 2ytnA2 GLN 24 HG3 -0.13 -0.05 -0.27 -0.04 2.39 1.89 2ytnA2 GLN 24 HE21 -0.06 0.03 -0.05 -0.04 6.97 6.85 2ytnA2 GLN 24 HE22 -0.05 0.03 -0.02 -0.04 7.69 7.60 2ytnA2 ASN 25 H -0.64 0.26 0.13 -0.55 8.53 7.73 2ytnA2 ASN 25 HA -0.83 0.13 0.40 -0.75 4.76 3.71 2ytnA2 ASN 25 HB2 -1.49 0.14 0.11 -0.04 2.88 1.60 2ytnA2 ASN 25 HB3 -0.59 -0.00 0.19 -0.04 2.79 2.35 2ytnA2 ASN 25 HD21 -0.20 0.04 0.02 -0.04 7.03 6.86 2ytnA2 ASN 25 HD22 -0.10 0.04 -0.05 -0.04 7.74 7.58 2ytnA2 SER 26 H -0.19 0.15 -0.07 -0.55 8.46 7.80 2ytnA2 SER 26 HA -0.08 0.08 0.32 -0.75 4.49 4.05 2ytnA2 SER 26 HB2 -0.04 0.04 0.09 -0.04 3.95 4.00 2ytnA2 SER 26 HB3 0.03 -0.02 -0.01 -0.04 3.93 3.89 2ytnA2 HIS 27 H 0.04 0.11 -0.61 -0.55 8.41 7.40 2ytnA2 HIS 27 HA -0.10 0.08 0.39 -0.75 4.63 4.25 2ytnA2 HIS 27 HB2 0.05 0.18 0.10 -0.04 3.26 3.54 2ytnA2 HIS 27 HB3 0.15 0.02 -0.02 -0.04 3.20 3.30 2ytnA2 HIS 27 HD2 -0.02 -0.08 -0.14 -0.04 6.97 6.69 2ytnA2 HIS 27 HE1 0.05 0.03 -0.00 -0.04 7.75 7.79 2ytnA2 LEU 28 H -0.24 0.42 -0.11 -0.55 8.37 7.88 2ytnA2 LEU 28 HA -1.31 0.05 0.50 -0.75 4.35 2.83 2ytnA2 LEU 28 HB2 -0.15 0.00 -0.01 -0.04 1.64 1.44 2ytnA2 LEU 28 HB3 -0.19 0.09 0.22 -0.04 1.64 1.72 2ytnA2 LEU 28 HG -0.04 0.02 -0.36 -0.04 1.64 1.22 2ytnA2 LEU 28 HD13 0.13 -0.03 -0.14 -0.04 0.93 0.85 2ytnA2 LEU 28 HD23 0.16 0.01 -0.21 -0.04 0.89 0.80 2ytnA2 ALA 29 H -0.17 0.64 0.04 -0.55 8.40 8.36 2ytnA2 ALA 29 HA -0.06 0.03 0.35 -0.75 4.34 3.90 2ytnA2 ALA 29 HB3 -0.07 0.01 0.02 -0.04 1.41 1.32 2ytnA2 ARG 30 H -0.11 0.46 -0.29 -0.55 8.46 7.97 2ytnA2 ARG 30 HA -0.06 0.06 0.44 -0.75 4.34 4.03 2ytnA2 ARG 30 HB2 -0.06 -0.03 0.06 -0.04 1.90 1.83 2ytnA2 ARG 30 HB3 -0.06 0.01 0.10 -0.04 1.80 1.81 2ytnA2 ARG 30 HG2 -0.13 0.07 0.13 -0.04 1.67 1.70 2ytnA2 ARG 30 HG3 -0.10 0.01 -0.22 -0.04 1.67 1.32 2ytnA2 ARG 30 HD2 -0.08 -0.03 -0.05 -0.04 3.22 3.02 2ytnA2 ARG 30 HD3 -0.23 -0.10 -0.03 -0.04 3.22 2.82 2ytnA2 HIS 31 H -0.13 0.21 -0.49 -0.55 8.41 7.46 2ytnA2 HIS 31 HA -0.10 0.05 0.50 -0.75 4.63 4.33 2ytnA2 HIS 31 HB2 -0.21 0.01 0.14 -0.04 3.26 3.17 2ytnA2 HIS 31 HB3 -0.58 0.09 0.34 -0.04 3.20 3.01 2ytnA2 HIS 31 HD2 0.07 -0.01 -0.04 -0.04 6.97 6.94 2ytnA2 HIS 31 HE1 0.07 0.04 -0.06 -0.04 7.75 7.75 2ytnA2 ARG 32 H -0.06 0.68 -0.00 -0.55 8.46 8.53 2ytnA2 ARG 32 HA -0.06 -0.07 0.31 -0.75 4.34 3.77 2ytnA2 ARG 32 HB2 -0.03 0.21 0.04 -0.04 1.90 2.08 2ytnA2 ARG 32 HB3 0.01 -0.06 0.07 -0.04 1.80 1.77 2ytnA2 ARG 32 HG2 0.09 -0.14 0.05 -0.04 1.67 1.62 2ytnA2 ARG 32 HG3 0.03 0.29 0.05 -0.04 1.67 2.00 2ytnA2 ARG 32 HD2 0.02 -0.06 -0.07 -0.04 3.22 3.07 2ytnA2 ARG 32 HD3 -0.01 0.07 0.03 -0.04 3.22 3.27 2ytnA2 GLY 33 H -0.12 0.19 -1.18 -0.55 8.43 6.77 2ytnA2 GLY 33 HA2 -0.06 -0.04 0.35 -0.51 4.01 3.75 2ytnA2 GLY 33 HA3 -0.08 0.10 0.27 -0.51 4.01 3.79 2ytnA2 ILE 34 H -0.23 0.62 0.04 -0.55 8.25 8.12 2ytnA2 ILE 34 HA -0.12 0.03 0.35 -0.75 4.18 3.68 2ytnA2 ILE 34 HB -0.18 -0.04 0.10 -0.04 1.89 1.74 2ytnA2 ILE 34 HG12 -0.73 0.16 -0.01 -0.04 1.49 0.87 2ytnA2 ILE 34 HG13 -0.89 0.04 -0.32 -0.04 1.21 -0.01 2ytnA2 ILE 34 HG23 -0.08 -0.03 0.11 -0.04 0.93 0.88 2ytnA2 ILE 34 HD13 -0.20 -0.04 -0.07 -0.04 0.88 0.53 2ytnA2 HIS 35 H -0.17 0.24 -0.81 -0.55 8.41 7.12 2ytnA2 HIS 35 HA -0.04 0.08 0.70 -0.75 4.63 4.61 2ytnA2 HIS 35 HB2 -0.09 0.18 0.21 -0.04 3.26 3.52 2ytnA2 HIS 35 HB3 -0.04 -0.06 -0.02 -0.04 3.20 3.04 2ytnA2 HIS 35 HD2 -0.22 -0.06 -0.04 -0.04 6.97 6.61 2ytnA2 HIS 35 HE1 0.08 0.03 -0.12 -0.04 7.75 7.69 2ytnA2 THR 36 H 0.04 0.29 0.16 -0.55 8.28 8.22 2ytnA2 THR 36 HA 0.02 -0.07 0.31 -0.75 4.39 3.90 2ytnA2 THR 36 HB -0.00 -0.11 0.10 -0.04 4.32 4.26 2ytnA2 THR 36 HG23 0.00 -0.01 0.04 -0.04 1.22 1.21 2ytnA2 GLY 37 H 0.00 -0.03 0.11 -0.55 8.43 7.97 2ytnA2 GLY 37 HA2 -0.00 -0.09 0.39 -0.51 4.01 3.79 2ytnA2 GLY 37 HA3 -0.01 0.22 0.64 -0.51 4.01 4.36 2ytnA2 GLU 38 H 0.00 0.05 0.08 -0.55 8.60 8.18 2ytnA2 GLU 38 HA 0.01 0.22 0.59 -0.75 4.29 4.35 2ytnA2 GLU 38 HB2 0.00 -0.04 0.11 -0.04 2.09 2.12 2ytnA2 GLU 38 HB3 0.00 -0.02 0.22 -0.04 1.99 2.16 2ytnA2 GLU 38 HG2 0.00 0.01 0.09 -0.04 2.34 2.40 2ytnA2 GLU 38 HG3 0.01 0.05 0.04 -0.04 2.34 2.39 2ytnA2 LYS 39 H -0.00 0.61 -0.44 -0.55 8.42 8.04 2ytnA2 LYS 39 HA -0.00 0.05 0.48 -0.75 4.32 4.11 2ytnA2 LYS 39 HB2 -0.00 0.09 0.01 -0.04 1.87 1.92 2ytnA2 LYS 39 HB3 -0.00 0.08 -0.00 -0.04 1.79 1.83 2ytnA2 LYS 39 HG2 -0.00 -0.16 -0.36 -0.04 1.46 0.90 2ytnA2 LYS 39 HG3 -0.00 0.05 -0.13 -0.04 1.46 1.34 2ytnA2 LYS 39 HD2 -0.00 0.11 -0.08 -0.04 1.69 1.67 2ytnA2 LYS 39 HD3 -0.00 -0.02 -0.07 -0.04 1.68 1.55 2ytnA2 LYS 39 HE2 -0.00 -0.08 -0.06 -0.04 2.99 2.80 2ytnA2 LYS 39 HE3 -0.01 0.02 -0.06 -0.04 2.99 2.90 2ytnA2 PRO 40 HA -0.00 0.08 0.44 -0.51 4.44 4.45 2ytnA2 PRO 40 HB2 -0.00 -0.03 -0.05 -0.04 2.28 2.15 2ytnA2 PRO 40 HB3 -0.00 0.03 0.10 -0.04 2.02 2.10 2ytnA2 PRO 40 HG2 -0.00 0.05 0.00 -0.04 2.03 2.04 2ytnA2 PRO 40 HG3 -0.00 0.03 0.05 -0.04 2.03 2.06 2ytnA2 PRO 40 HD2 -0.00 0.11 0.21 -0.04 3.68 3.96 2ytnA2 PRO 40 HD3 -0.00 0.13 0.13 -0.04 3.65 3.87 2ytnA2 SER 41 H -0.01 0.03 0.15 -0.55 8.46 8.09 2ytnA2 SER 41 HA -0.01 0.22 0.81 -0.75 4.49 4.76 2ytnA2 SER 41 HB2 -0.01 -0.10 0.14 -0.04 3.95 3.95 2ytnA2 SER 41 HB3 -0.01 0.02 0.03 -0.04 3.93 3.93 2ytnA2 GLY 42 H -0.01 0.03 0.02 -0.55 8.43 7.93 2ytnA2 GLY 42 HA2 -0.00 0.05 0.37 -0.51 4.01 3.91 2ytnA2 GLY 42 HA3 -0.00 0.12 0.47 -0.51 4.01 4.08 2ytnA2 PRO 43 HA -0.00 0.10 0.44 -0.51 4.44 4.47 2ytnA2 PRO 43 HB2 -0.00 0.04 0.00 -0.04 2.28 2.28 2ytnA2 PRO 43 HB3 -0.00 0.02 0.11 -0.04 2.02 2.11 2ytnA2 PRO 43 HG2 -0.00 0.04 0.02 -0.04 2.03 2.04 2ytnA2 PRO 43 HG3 -0.00 0.06 0.05 -0.04 2.03 2.10 2ytnA2 PRO 43 HD2 -0.00 0.15 0.13 -0.04 3.68 3.92 2ytnA2 PRO 43 HD3 -0.00 0.03 0.12 -0.04 3.65 3.76 2ytnA2 SER 44 H -0.00 0.00 -0.36 -0.55 8.46 7.55 2ytnA2 SER 44 HA -0.00 0.01 0.35 -0.75 4.49 4.09 2ytnA2 SER 44 HB2 -0.00 0.02 -0.02 -0.04 3.95 3.90 2ytnA2 SER 44 HB3 -0.00 0.04 -0.06 -0.04 3.93 3.87 2ytnA2 SER 45 H -0.00 0.12 0.10 -0.55 8.46 8.13 2ytnA2 SER 45 HA -0.00 0.21 0.84 -0.75 4.49 4.78 2ytnA2 SER 45 HB2 -0.00 -0.03 0.23 -0.04 3.95 4.11 2ytnA2 SER 45 HB3 -0.00 -0.01 0.09 -0.04 3.93 3.97 2ytnA2 GLY 46 H -0.00 0.30 -0.12 -0.55 8.43 8.07 2ytnA2 GLY 46 HA2 -0.00 0.05 0.13 -0.51 4.01 3.68 2ytnA2 GLY 46 HA3 -0.00 0.06 0.13 -0.51 4.01 3.69