============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. HIS 21 0.900 45.533 41.999 42.801 -99.200 -91.000 PHE 34 1.000 30.938 37.224 40.749 -99.200 -91.000 TRP 51 1.040 31.801 6.429 28.176 -99.200 -91.000 TRP6 51 1.020 29.764 5.830 27.116 -99.200 -91.000 TYR 72 0.840 21.740 14.363 22.190 -99.200 -91.000 PHE 97 1.000 30.095 11.307 30.873 -99.200 -91.000 HIS 108 0.900 16.924 11.710 9.147 -99.200 -91.000 TRP 113 1.040 10.585 11.861 3.771 -99.200 -91.000 TRP6 113 1.020 11.536 14.015 3.724 -99.200 -91.000 PHE 116 1.000 17.653 7.302 16.064 -99.200 -91.000 HIS 117 0.900 12.215 8.180 22.195 -99.200 -91.000 TRP 128 1.040 15.703 1.287 18.109 -99.200 -91.000 TRP6 128 1.020 16.906 2.791 16.768 -99.200 -91.000 PHE 129 1.000 11.749 3.389 24.418 -99.200 -91.000 TYR 144 0.840 22.108 13.550 28.612 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2f0cC1 THR 17 HA 0.00 0.01 0.22 -0.75 4.39 3.87 2f0cC1 THR 17 HB 0.00 0.02 0.10 -0.04 4.32 4.40 2f0cC1 THR 17 HG23 0.00 0.04 0.05 -0.04 1.22 1.27 2f0cC1 ILE 18 H 0.00 0.17 0.13 -0.55 8.25 8.00 2f0cC1 ILE 18 HA 0.00 0.12 0.43 -0.75 4.18 3.99 2f0cC1 ILE 18 HB 0.00 -0.02 0.14 -0.04 1.89 1.96 2f0cC1 ILE 18 HG12 0.00 0.05 0.05 -0.04 1.49 1.55 2f0cC1 ILE 18 HG13 0.00 -0.03 0.09 -0.04 1.21 1.23 2f0cC1 ILE 18 HG23 0.00 0.01 -0.07 -0.04 0.93 0.84 2f0cC1 ILE 18 HD13 0.00 0.02 0.04 -0.04 0.88 0.89 2f0cC1 ASN 19 H 0.00 0.10 -0.11 -0.55 8.53 7.98 2f0cC1 ASN 19 HA 0.00 0.08 0.39 -0.75 4.76 4.48 2f0cC1 ASN 19 HB2 0.00 -0.00 0.07 -0.04 2.88 2.91 2f0cC1 ASN 19 HB3 0.00 0.05 0.00 -0.04 2.79 2.81 2f0cC1 ASN 19 HD21 0.00 0.03 0.01 -0.04 7.03 7.03 2f0cC1 ASN 19 HD22 0.00 0.03 0.01 -0.04 7.74 7.74 2f0cC1 ASP 20 H 0.00 0.14 -0.33 -0.55 8.40 7.66 2f0cC1 ASP 20 HA 0.00 0.03 0.41 -0.75 4.63 4.31 2f0cC1 ASP 20 HB2 0.00 0.25 0.10 -0.04 2.71 3.03 2f0cC1 ASP 20 HB3 0.00 0.00 -0.00 -0.04 2.70 2.66 2f0cC1 ASP 21 H 0.00 0.47 -0.14 -0.55 8.40 8.18 2f0cC1 ASP 21 HA 0.00 0.04 0.52 -0.75 4.63 4.43 2f0cC1 ASP 21 HB2 0.00 0.13 0.22 -0.04 2.71 3.02 2f0cC1 ASP 21 HB3 0.00 -0.04 0.00 -0.04 2.70 2.63 2f0cC1 LEU 22 H 0.00 0.56 -0.07 -0.55 8.37 8.32 2f0cC1 LEU 22 HA 0.00 0.03 0.43 -0.75 4.35 4.06 2f0cC1 LEU 22 HB2 0.00 0.07 0.17 -0.04 1.64 1.84 2f0cC1 LEU 22 HB3 0.00 -0.02 0.00 -0.04 1.64 1.58 2f0cC1 LEU 22 HG 0.00 0.05 0.06 -0.04 1.64 1.71 2f0cC1 LEU 22 HD13 0.00 -0.02 -0.07 -0.04 0.93 0.80 2f0cC1 LEU 22 HD23 0.00 -0.00 0.01 -0.04 0.89 0.86 2f0cC1 GLU 23 H 0.00 0.63 -0.06 -0.55 8.60 8.63 2f0cC1 GLU 23 HA 0.00 0.02 0.50 -0.75 4.29 4.06 2f0cC1 GLU 23 HB2 0.00 0.06 0.15 -0.04 2.09 2.26 2f0cC1 GLU 23 HB3 0.00 -0.03 0.04 -0.04 1.99 1.96 2f0cC1 GLU 23 HG2 0.00 -0.03 0.03 -0.04 2.34 2.30 2f0cC1 GLU 23 HG3 0.00 0.07 0.08 -0.04 2.34 2.46 2f0cC1 ALA 24 H 0.00 0.52 -0.21 -0.55 8.40 8.18 2f0cC1 ALA 24 HA 0.01 0.02 0.45 -0.75 4.34 4.06 2f0cC1 ALA 24 HB3 0.01 0.02 0.13 -0.04 1.41 1.52 2f0cC1 ILE 25 H 0.01 0.48 -0.15 -0.55 8.25 8.05 2f0cC1 ILE 25 HA 0.01 0.02 0.55 -0.75 4.18 4.01 2f0cC1 ILE 25 HB 0.01 0.14 0.20 -0.04 1.89 2.20 2f0cC1 ILE 25 HG12 0.01 -0.04 0.05 -0.04 1.49 1.46 2f0cC1 ILE 25 HG13 0.01 0.02 0.07 -0.04 1.21 1.27 2f0cC1 ILE 25 HG23 0.01 -0.02 -0.14 -0.04 0.93 0.75 2f0cC1 ILE 25 HD13 0.00 -0.02 -0.03 -0.04 0.88 0.79 2f0cC1 ASN 26 H 0.01 0.54 -0.10 -0.55 8.53 8.43 2f0cC1 ASN 26 HA 0.02 0.01 0.39 -0.75 4.76 4.43 2f0cC1 ASN 26 HB2 0.01 0.03 0.13 -0.04 2.88 3.01 2f0cC1 ASN 26 HB3 0.01 0.10 0.12 -0.04 2.79 2.98 2f0cC1 ASN 26 HD21 0.01 -0.02 -0.07 -0.04 7.03 6.91 2f0cC1 ASN 26 HD22 0.01 0.03 -0.13 -0.04 7.74 7.60 2f0cC1 SER 27 H 0.01 0.49 -0.25 -0.55 8.46 8.16 2f0cC1 SER 27 HA 0.00 -0.01 0.41 -0.75 4.49 4.14 2f0cC1 SER 27 HB2 0.00 0.01 0.12 -0.04 3.95 4.04 2f0cC1 SER 27 HB3 0.01 0.15 0.15 -0.04 3.93 4.20 2f0cC1 GLU 28 H 0.03 0.39 -0.21 -0.55 8.60 8.26 2f0cC1 GLU 28 HA 0.06 0.18 0.41 -0.75 4.29 4.18 2f0cC1 GLU 28 HB2 0.04 0.17 0.18 -0.04 2.09 2.43 2f0cC1 GLU 28 HB3 0.06 -0.09 -0.05 -0.04 1.99 1.87 2f0cC1 GLU 28 HG2 0.04 -0.10 0.07 -0.04 2.34 2.30 2f0cC1 GLU 28 HG3 0.02 0.13 0.11 -0.04 2.34 2.56 2f0cC1 LEU 29 H 0.06 0.35 -0.31 -0.55 8.37 7.93 2f0cC1 LEU 29 HA 0.12 0.04 0.45 -0.75 4.35 4.21 2f0cC1 LEU 29 HB2 0.04 0.06 0.13 -0.04 1.64 1.84 2f0cC1 LEU 29 HB3 0.05 -0.07 0.07 -0.04 1.64 1.66 2f0cC1 LEU 29 HG 0.04 0.02 -0.05 -0.04 1.64 1.61 2f0cC1 LEU 29 HD13 0.02 -0.03 -0.07 -0.04 0.93 0.81 2f0cC1 LEU 29 HD23 0.01 -0.01 -0.01 -0.04 0.89 0.83 2f0cC1 THR 30 H 0.05 0.28 -0.45 -0.55 8.28 7.62 2f0cC1 THR 30 HA 0.07 0.12 0.90 -0.75 4.39 4.72 2f0cC1 THR 30 HB -0.02 -0.09 0.06 -0.04 4.32 4.23 2f0cC1 THR 30 HG23 0.03 -0.01 -0.12 -0.04 1.22 1.08 2f0cC1 SER 31 H -0.12 0.66 0.13 -0.55 8.46 8.58 2f0cC1 SER 31 HA -1.13 0.05 0.25 -0.75 4.49 2.92 2f0cC1 SER 31 HB2 -0.20 -0.07 0.12 -0.04 3.95 3.76 2f0cC1 SER 31 HB3 -0.19 0.04 -0.09 -0.04 3.93 3.66 2f0cC1 GLY 32 H -0.12 0.09 0.11 -0.55 8.43 7.96 2f0cC1 GLY 32 HA2 0.05 0.01 0.36 -0.51 4.01 3.93 2f0cC1 GLY 32 HA3 0.01 -0.04 0.43 -0.51 4.01 3.91 2f0cC1 GLY 33 H 0.04 0.02 0.20 -0.55 8.43 8.15 2f0cC1 GLY 33 HA2 0.03 -0.02 0.38 -0.51 4.01 3.89 2f0cC1 GLY 33 HA3 0.06 0.06 0.51 -0.51 4.01 4.13 2f0cC1 ASN 34 H 0.02 0.11 0.14 -0.55 8.53 8.25 2f0cC1 ASN 34 HA 0.02 0.23 0.89 -0.75 4.76 5.14 2f0cC1 ASN 34 HB2 0.01 -0.05 0.03 -0.04 2.88 2.82 2f0cC1 ASN 34 HB3 -0.00 -0.01 0.10 -0.04 2.79 2.83 2f0cC1 ASN 34 HD21 -0.01 -0.01 0.05 -0.04 7.03 7.02 2f0cC1 ASN 34 HD22 -0.01 -0.02 0.05 -0.04 7.74 7.72 2f0cC1 VAL 35 H 0.02 0.40 -0.23 -0.55 8.24 7.89 2f0cC1 VAL 35 HA -0.10 0.04 0.71 -0.75 4.13 4.03 2f0cC1 VAL 35 HB -0.17 0.26 0.00 -0.04 2.12 2.17 2f0cC1 VAL 35 HG13 -0.37 -0.00 -0.17 -0.04 0.97 0.39 2f0cC1 VAL 35 HG23 -0.03 -0.07 -0.11 -0.04 0.95 0.70 2f0cC1 VAL 36 H -0.13 0.09 0.13 -0.55 8.24 7.78 2f0cC1 VAL 36 HA -0.04 0.12 0.78 -0.75 4.13 4.23 2f0cC1 VAL 36 HB -0.05 -0.05 0.09 -0.04 2.12 2.07 2f0cC1 VAL 36 HG13 0.02 0.02 -0.11 -0.04 0.97 0.86 2f0cC1 VAL 36 HG23 -0.01 0.00 -0.05 -0.04 0.95 0.85 2f0cC1 HIS 37 H 0.10 0.17 0.13 -0.55 8.41 8.27 2f0cC1 HIS 37 HA 0.01 0.21 0.88 -0.75 4.63 4.97 2f0cC1 HIS 37 HB2 0.01 0.19 0.09 -0.04 3.26 3.50 2f0cC1 HIS 37 HB3 0.01 -0.11 0.10 -0.04 3.20 3.15 2f0cC1 HIS 37 HD2 0.01 0.19 -0.30 -0.04 6.97 6.82 2f0cC1 HIS 37 HE1 0.01 0.47 -0.13 -0.04 7.75 8.05 2f0cC1 LYS 38 H 0.12 0.18 0.15 -0.55 8.42 8.31 2f0cC1 LYS 38 HA 0.05 0.14 0.64 -0.75 4.32 4.39 2f0cC1 LYS 38 HB2 0.05 0.01 0.11 -0.04 1.87 2.00 2f0cC1 LYS 38 HB3 0.03 -0.02 0.18 -0.04 1.79 1.94 2f0cC1 LYS 38 HG2 0.03 0.01 0.01 -0.04 1.46 1.47 2f0cC1 LYS 38 HG3 0.04 0.01 -0.01 -0.04 1.46 1.45 2f0cC1 LYS 38 HD2 0.03 0.02 0.04 -0.04 1.69 1.73 2f0cC1 LYS 38 HD3 0.02 -0.03 0.04 -0.04 1.68 1.67 2f0cC1 LYS 38 HE2 0.02 -0.02 0.01 -0.04 2.99 2.95 2f0cC1 LYS 38 HE3 0.02 0.03 -0.00 -0.04 2.99 3.00 2f0cC1 THR 39 H 0.10 0.17 -0.21 -0.55 8.28 7.78 2f0cC1 THR 39 HA 0.03 0.12 0.48 -0.75 4.39 4.26 2f0cC1 THR 39 HB 0.00 -0.09 0.13 -0.04 4.32 4.32 2f0cC1 THR 39 HG23 0.02 -0.01 -0.12 -0.04 1.22 1.07 2f0cC1 GLY 40 H 0.01 0.05 0.06 -0.55 8.43 8.00 2f0cC1 GLY 40 HA2 0.00 -0.06 0.37 -0.51 4.01 3.82 2f0cC1 GLY 40 HA3 0.00 0.15 0.31 -0.51 4.01 3.96 2f0cC1 ASP 41 H 0.01 0.08 0.15 -0.55 8.40 8.09 2f0cC1 ASP 41 HA 0.02 0.09 0.65 -0.75 4.63 4.64 2f0cC1 ASP 41 HB2 0.01 -0.02 0.16 -0.04 2.71 2.82 2f0cC1 ASP 41 HB3 0.01 0.04 0.02 -0.04 2.70 2.73 2f0cC1 GLU 42 H 0.03 0.24 0.22 -0.55 8.60 8.54 2f0cC1 GLU 42 HA 0.03 0.13 0.89 -0.75 4.29 4.59 2f0cC1 GLU 42 HB2 0.05 0.00 -0.01 -0.04 2.09 2.09 2f0cC1 GLU 42 HB3 0.05 0.06 -0.04 -0.04 1.99 2.02 2f0cC1 GLU 42 HG2 0.07 0.02 -0.12 -0.04 2.34 2.27 2f0cC1 GLU 42 HG3 0.06 0.05 -0.68 -0.04 2.34 1.73 2f0cC1 THR 43 H 0.03 0.21 0.15 -0.55 8.28 8.12 2f0cC1 THR 43 HA 0.02 0.14 0.86 -0.75 4.39 4.66 2f0cC1 THR 43 HB 0.02 0.00 0.10 -0.04 4.32 4.40 2f0cC1 THR 43 HG23 0.01 0.00 -0.13 -0.04 1.22 1.06 2f0cC1 ILE 44 H 0.02 0.22 0.09 -0.55 8.25 8.04 2f0cC1 ILE 44 HA 0.02 0.16 0.78 -0.75 4.18 4.38 2f0cC1 ILE 44 HB 0.04 -0.02 0.10 -0.04 1.89 1.96 2f0cC1 ILE 44 HG12 0.03 0.07 -0.25 -0.04 1.49 1.29 2f0cC1 ILE 44 HG13 0.03 -0.11 -0.57 -0.04 1.21 0.53 2f0cC1 ILE 44 HG23 0.02 0.03 -0.15 -0.04 0.93 0.79 2f0cC1 ILE 44 HD13 0.05 0.00 -0.07 -0.04 0.88 0.82 2f0cC1 ALA 45 H 0.01 0.16 0.14 -0.55 8.40 8.16 2f0cC1 ALA 45 HA 0.01 0.14 0.80 -0.75 4.34 4.53 2f0cC1 ALA 45 HB3 0.00 -0.01 0.05 -0.04 1.41 1.41 2f0cC1 GLY 46 H 0.00 0.06 0.09 -0.55 8.43 8.04 2f0cC1 GLY 46 HA2 -0.01 -0.04 0.34 -0.51 4.01 3.80 2f0cC1 GLY 46 HA3 -0.01 0.23 0.67 -0.51 4.01 4.39 2f0cC1 LYS 47 H -0.01 0.11 0.11 -0.55 8.42 8.07 2f0cC1 LYS 47 HA 0.00 0.10 0.66 -0.75 4.32 4.32 2f0cC1 LYS 47 HB2 -0.01 -0.01 0.09 -0.04 1.87 1.91 2f0cC1 LYS 47 HB3 -0.02 -0.02 0.16 -0.04 1.79 1.88 2f0cC1 LYS 47 HG2 -0.01 0.00 -0.36 -0.04 1.46 1.05 2f0cC1 LYS 47 HG3 0.00 0.03 -0.04 -0.04 1.46 1.41 2f0cC1 LYS 47 HD2 -0.00 -0.01 -0.01 -0.04 1.69 1.63 2f0cC1 LYS 47 HD3 -0.01 -0.02 -0.03 -0.04 1.68 1.58 2f0cC1 LYS 47 HE2 -0.00 -0.00 -0.10 -0.04 2.99 2.84 2f0cC1 LYS 47 HE3 0.00 0.02 -0.05 -0.04 2.99 2.92 2f0cC1 LYS 48 H 0.01 0.22 0.13 -0.55 8.42 8.22 2f0cC1 LYS 48 HA -0.14 0.14 0.82 -0.75 4.32 4.39 2f0cC1 LYS 48 HB2 0.05 -0.02 0.08 -0.04 1.87 1.94 2f0cC1 LYS 48 HB3 -0.32 -0.01 -0.07 -0.04 1.79 1.35 2f0cC1 LYS 48 HG2 -0.00 0.16 -0.25 -0.04 1.46 1.33 2f0cC1 LYS 48 HG3 0.01 -0.01 -0.12 -0.04 1.46 1.30 2f0cC1 LYS 48 HD2 -0.12 -0.04 -0.10 -0.04 1.69 1.39 2f0cC1 LYS 48 HD3 -0.06 0.03 -0.54 -0.04 1.68 1.07 2f0cC1 LYS 48 HE2 -0.01 0.21 -0.24 -0.04 2.99 2.90 2f0cC1 LYS 48 HE3 -0.03 -0.06 -0.10 -0.04 2.99 2.76 2f0cC1 THR 49 H -0.17 0.23 0.06 -0.55 8.28 7.85 2f0cC1 THR 49 HA 0.01 0.16 0.84 -0.75 4.39 4.64 2f0cC1 THR 49 HB -0.07 -0.01 0.12 -0.04 4.32 4.31 2f0cC1 THR 49 HG23 -0.00 0.00 -0.20 -0.04 1.22 0.98 2f0cC1 PHE 50 H 0.24 0.24 0.04 -0.55 8.34 8.30 2f0cC1 PHE 50 HA -0.00 0.06 0.71 -0.75 4.62 4.63 2f0cC1 PHE 50 HB2 -0.00 0.04 0.09 -0.04 3.15 3.24 2f0cC1 PHE 50 HB3 -0.00 0.01 -0.12 -0.04 3.06 2.91 2f0cC1 PHE 50 HD2 -0.00 0.02 -0.06 -0.04 7.28 7.19 2f0cC1 PHE 50 HE2 -0.00 0.03 -0.07 -0.04 7.38 7.29 2f0cC1 PHE 50 HZ -0.00 0.03 -0.07 -0.04 7.32 7.23 2f0cC1 THR 51 H 0.04 0.15 0.12 -0.55 8.28 8.04 2f0cC1 THR 51 HA 0.04 0.16 0.53 -0.75 4.39 4.37 2f0cC1 THR 51 HB 0.02 0.01 0.09 -0.04 4.32 4.38 2f0cC1 THR 51 HG23 -0.01 0.02 -0.05 -0.04 1.22 1.14 2f0cC1 GLY 52 H 0.10 -0.05 -0.16 -0.55 8.43 7.77 2f0cC1 GLY 52 HA2 0.04 0.18 0.73 -0.51 4.01 4.44 2f0cC1 GLY 52 HA3 0.05 -0.02 0.34 -0.51 4.01 3.87 2f0cC1 ASN 53 H 0.03 0.10 0.12 -0.55 8.53 8.23 2f0cC1 ASN 53 HA 0.00 0.19 0.72 -0.75 4.76 4.92 2f0cC1 ASN 53 HB2 0.00 -0.04 0.04 -0.04 2.88 2.84 2f0cC1 ASN 53 HB3 -0.01 0.06 -0.04 -0.04 2.79 2.76 2f0cC1 ASN 53 HD21 0.00 0.01 -0.01 -0.04 7.03 6.99 2f0cC1 ASN 53 HD22 0.00 -0.01 -0.01 -0.04 7.74 7.68 2f0cC1 VAL 54 H -0.04 0.25 0.16 -0.55 8.24 8.06 2f0cC1 VAL 54 HA -0.11 0.15 0.85 -0.75 4.13 4.27 2f0cC1 VAL 54 HB -0.16 -0.00 0.05 -0.04 2.12 1.96 2f0cC1 VAL 54 HG13 -0.27 -0.00 -0.17 -0.04 0.97 0.48 2f0cC1 VAL 54 HG23 -0.40 0.02 -0.22 -0.04 0.95 0.30 2f0cC1 GLU 55 H -0.08 0.26 0.13 -0.55 8.60 8.37 2f0cC1 GLU 55 HA -0.05 0.15 0.76 -0.75 4.29 4.40 2f0cC1 GLU 55 HB2 -0.03 0.01 -0.09 -0.04 2.09 1.94 2f0cC1 GLU 55 HB3 -0.03 -0.01 0.05 -0.04 1.99 1.95 2f0cC1 GLU 55 HG2 -0.02 -0.01 -0.28 -0.04 2.34 1.98 2f0cC1 GLU 55 HG3 -0.02 0.04 0.00 -0.04 2.34 2.32 2f0cC1 VAL 56 H -0.04 0.26 0.08 -0.55 8.24 7.99 2f0cC1 VAL 56 HA -0.04 0.12 0.84 -0.75 4.13 4.29 2f0cC1 VAL 56 HB -0.04 0.01 0.03 -0.04 2.12 2.08 2f0cC1 VAL 56 HG13 -0.03 0.04 -0.32 -0.04 0.97 0.62 2f0cC1 VAL 56 HG23 -0.07 -0.00 -0.17 -0.04 0.95 0.67 2f0cC1 ASN 57 H -0.02 0.11 0.08 -0.55 8.53 8.15 2f0cC1 ASN 57 HA -0.01 0.19 0.78 -0.75 4.76 4.96 2f0cC1 ASN 57 HB2 -0.01 -0.02 0.03 -0.04 2.88 2.83 2f0cC1 ASN 57 HB3 -0.01 0.01 0.04 -0.04 2.79 2.79 2f0cC1 ASN 57 HD21 -0.01 0.00 -0.04 -0.04 7.03 6.95 2f0cC1 ASN 57 HD22 -0.01 0.01 -0.02 -0.04 7.74 7.68 2f0cC1 GLY 58 H -0.01 -0.04 -0.02 -0.55 8.43 7.80 2f0cC1 GLY 58 HA2 -0.01 0.17 0.72 -0.51 4.01 4.39 2f0cC1 GLY 58 HA3 -0.01 -0.01 0.37 -0.51 4.01 3.86 2f0cC1 SER 59 H -0.01 0.08 0.10 -0.55 8.46 8.09 2f0cC1 SER 59 HA -0.01 0.16 0.65 -0.75 4.49 4.54 2f0cC1 SER 59 HB2 -0.00 0.07 -0.05 -0.04 3.95 3.93 2f0cC1 SER 59 HB3 -0.00 0.02 0.04 -0.04 3.93 3.94 2f0cC1 LEU 60 H -0.01 0.23 0.11 -0.55 8.37 8.16 2f0cC1 LEU 60 HA -0.01 0.13 0.66 -0.75 4.35 4.37 2f0cC1 LEU 60 HB2 -0.03 0.02 0.01 -0.04 1.64 1.61 2f0cC1 LEU 60 HB3 -0.02 -0.01 0.13 -0.04 1.64 1.70 2f0cC1 LEU 60 HG -0.01 -0.01 -0.30 -0.04 1.64 1.27 2f0cC1 LEU 60 HD13 -0.02 -0.00 -0.02 -0.04 0.93 0.84 2f0cC1 LEU 60 HD23 -0.03 -0.00 -0.05 -0.04 0.89 0.77 2f0cC1 THR 61 H -0.00 0.24 0.03 -0.55 8.28 8.00 2f0cC1 THR 61 HA 0.00 0.14 0.86 -0.75 4.39 4.64 2f0cC1 THR 61 HB 0.00 -0.01 0.06 -0.04 4.32 4.33 2f0cC1 THR 61 HG23 0.01 0.01 -0.12 -0.04 1.22 1.08 2f0cC1 LEU 62 H 0.00 0.17 0.12 -0.55 8.37 8.12 2f0cC1 LEU 62 HA 0.00 0.19 0.81 -0.75 4.35 4.59 2f0cC1 LEU 62 HB2 -0.00 -0.02 -0.08 -0.04 1.64 1.49 2f0cC1 LEU 62 HB3 -0.00 0.01 0.13 -0.04 1.64 1.73 2f0cC1 LEU 62 HG -0.00 -0.02 -0.24 -0.04 1.64 1.33 2f0cC1 LEU 62 HD13 -0.01 0.00 -0.10 -0.04 0.93 0.79 2f0cC1 LEU 62 HD23 -0.00 0.04 -0.15 -0.04 0.89 0.74 2f0cC1 PRO 63 HA 0.00 0.05 0.46 -0.51 4.44 4.45 2f0cC1 PRO 63 HB2 -0.02 0.03 0.06 -0.04 2.28 2.32 2f0cC1 PRO 63 HB3 -0.01 0.05 0.09 -0.04 2.02 2.11 2f0cC1 PRO 63 HG2 -0.01 0.05 0.10 -0.04 2.03 2.13 2f0cC1 PRO 63 HG3 -0.00 0.06 0.10 -0.04 2.03 2.14 2f0cC1 PRO 63 HD2 -0.01 0.02 0.25 -0.04 3.68 3.90 2f0cC1 PRO 63 HD3 -0.00 0.14 0.24 -0.04 3.65 3.99 2f0cC1 THR 64 H 0.01 0.17 0.27 -0.55 8.28 8.18 2f0cC1 THR 64 HA 0.02 0.54 1.10 -0.75 4.39 5.30 2f0cC1 THR 64 HB 0.03 -0.08 0.12 -0.04 4.32 4.34 2f0cC1 THR 64 HG23 0.05 0.01 -0.06 -0.04 1.22 1.17 2f0cC1 LYS 65 H 0.09 0.54 0.35 -0.55 8.42 8.85 2f0cC1 LYS 65 HA 0.12 0.09 0.64 -0.75 4.32 4.42 2f0cC1 LYS 65 HB2 0.03 0.03 -0.14 -0.04 1.87 1.75 2f0cC1 LYS 65 HB3 0.02 -0.02 -0.01 -0.04 1.79 1.74 2f0cC1 LYS 65 HG2 0.38 0.10 -0.08 -0.04 1.46 1.82 2f0cC1 LYS 65 HG3 0.15 -0.02 0.16 -0.04 1.46 1.71 2f0cC1 LYS 65 HD2 0.04 -0.01 -0.01 -0.04 1.69 1.67 2f0cC1 LYS 65 HD3 -0.01 -0.02 -0.07 -0.04 1.68 1.53 2f0cC1 LYS 65 HE2 0.25 0.06 -0.01 -0.04 2.99 3.25 2f0cC1 LYS 65 HE3 0.12 -0.01 0.03 -0.04 2.99 3.09 2f0cC1 SER 66 H 0.20 0.17 0.21 -0.55 8.46 8.50 2f0cC1 SER 66 HA 0.24 0.29 1.13 -0.75 4.49 5.40 2f0cC1 SER 66 HB2 0.09 -0.06 0.08 -0.04 3.95 4.02 2f0cC1 SER 66 HB3 0.06 0.05 0.10 -0.04 3.93 4.11 2f0cC1 TRP 67 H 0.03 0.70 0.37 -0.55 7.97 8.53 2f0cC1 TRP 67 HA -0.08 0.08 0.59 -0.75 4.62 4.45 2f0cC1 TRP 67 HB2 -0.29 0.06 -0.08 -0.04 3.23 2.87 2f0cC1 TRP 67 HB3 -0.97 -0.02 -0.02 -0.04 3.23 2.18 2f0cC1 TRP 67 HD1 -0.00 -0.01 0.07 -0.04 7.22 7.24 2f0cC1 TRP 67 HE1 -0.01 -0.02 -0.01 -0.04 10.20 10.12 2f0cC1 TRP 67 HE3 -0.28 -0.05 -0.23 -0.04 7.59 6.98 2f0cC1 TRP 67 HZ2 -0.02 0.00 -0.15 -0.04 7.44 7.24 2f0cC1 TRP 67 HZ3 -0.05 -0.02 -0.13 -0.04 7.13 6.89 2f0cC1 TRP 67 HH2 -0.02 0.00 -0.33 -0.04 7.19 6.81 2f0cC1 SER 68 H -0.91 0.27 0.22 -0.55 8.46 7.49 2f0cC1 SER 68 HA -0.71 0.39 0.89 -0.75 4.49 4.31 2f0cC1 SER 68 HB2 -0.26 -0.02 -0.04 -0.04 3.95 3.60 2f0cC1 SER 68 HB3 -0.36 -0.03 0.04 -0.04 3.93 3.53 2f0cC1 GLY 69 H -0.79 0.53 0.27 -0.55 8.43 7.90 2f0cC1 GLY 69 HA2 -0.44 0.07 0.49 -0.51 4.01 3.62 2f0cC1 GLY 69 HA3 -0.66 0.11 0.26 -0.51 4.01 3.21 2f0cC1 GLU 70 H -0.09 0.18 0.06 -0.55 8.60 8.20 2f0cC1 GLU 70 HA -0.05 0.24 0.81 -0.75 4.29 4.53 2f0cC1 GLU 70 HB2 -0.06 0.01 -0.00 -0.04 2.09 2.00 2f0cC1 GLU 70 HB3 -0.03 0.02 0.08 -0.04 1.99 2.02 2f0cC1 GLU 70 HG2 -0.03 -0.12 -0.33 -0.04 2.34 1.81 2f0cC1 GLU 70 HG3 -0.05 0.09 -0.32 -0.04 2.34 2.02 2f0cC1 LEU 71 H 0.03 0.42 0.24 -0.55 8.37 8.52 2f0cC1 LEU 71 HA 0.12 0.27 0.41 -0.75 4.35 4.39 2f0cC1 LEU 71 HB2 0.04 -0.01 0.06 -0.04 1.64 1.69 2f0cC1 LEU 71 HB3 0.07 0.01 0.00 -0.04 1.64 1.68 2f0cC1 LEU 71 HG 0.12 -0.02 0.00 -0.04 1.64 1.71 2f0cC1 LEU 71 HD13 0.11 -0.01 -0.10 -0.04 0.93 0.89 2f0cC1 LEU 71 HD23 0.26 0.01 -0.09 -0.04 0.89 1.02 2f0cC1 GLY 72 H -0.02 0.32 -0.01 -0.55 8.43 8.16 2f0cC1 GLY 72 HA2 -0.04 0.03 0.29 -0.51 4.01 3.77 2f0cC1 GLY 72 HA3 -0.05 0.06 0.52 -0.51 4.01 4.03 2f0cC1 GLY 73 H -0.09 0.20 0.10 -0.55 8.43 8.10 2f0cC1 GLY 73 HA2 -0.13 0.06 0.28 -0.51 4.01 3.71 2f0cC1 GLY 73 HA3 -0.20 0.15 0.18 -0.51 4.01 3.62 2f0cC1 GLY 74 H -0.08 0.02 -0.43 -0.55 8.43 7.39 2f0cC1 GLY 74 HA2 -0.07 -0.01 0.26 -0.51 4.01 3.69 2f0cC1 GLY 74 HA3 -0.09 0.39 0.76 -0.51 4.01 4.55 2f0cC1 ILE 75 H -0.11 0.44 -0.20 -0.55 8.25 7.83 2f0cC1 ILE 75 HA -0.05 0.24 0.65 -0.75 4.18 4.28 2f0cC1 ILE 75 HB -0.05 -0.03 0.10 -0.04 1.89 1.87 2f0cC1 ILE 75 HG12 -0.15 0.06 -0.14 -0.04 1.49 1.22 2f0cC1 ILE 75 HG13 -0.23 -0.01 -0.16 -0.04 1.21 0.77 2f0cC1 ILE 75 HG23 0.07 0.02 -0.19 -0.04 0.93 0.78 2f0cC1 ILE 75 HD13 -0.33 -0.01 -0.11 -0.04 0.88 0.39 2f0cC1 ILE 76 H 0.00 0.67 0.12 -0.55 8.25 8.48 2f0cC1 ILE 76 HA -0.05 0.18 0.88 -0.75 4.18 4.44 2f0cC1 ILE 76 HB -0.02 -0.09 -0.16 -0.04 1.89 1.58 2f0cC1 ILE 76 HG12 -0.04 0.11 -0.15 -0.04 1.49 1.37 2f0cC1 ILE 76 HG13 -0.05 -0.01 -0.10 -0.04 1.21 1.00 2f0cC1 ILE 76 HG23 -0.11 -0.01 -0.32 -0.04 0.93 0.45 2f0cC1 ILE 76 HD13 -0.07 -0.01 -0.27 -0.04 0.88 0.49 2f0cC1 LEU 77 H -0.03 0.61 0.32 -0.55 8.37 8.72 2f0cC1 LEU 77 HA 0.11 0.22 0.99 -0.75 4.35 4.91 2f0cC1 LEU 77 HB2 0.15 -0.04 -0.05 -0.04 1.64 1.66 2f0cC1 LEU 77 HB3 0.25 -0.00 0.11 -0.04 1.64 1.95 2f0cC1 LEU 77 HG 0.26 0.03 -0.31 -0.04 1.64 1.58 2f0cC1 LEU 77 HD13 0.19 0.01 -0.13 -0.04 0.93 0.96 2f0cC1 LEU 77 HD23 0.22 0.00 -0.13 -0.04 0.89 0.94 2f0cC1 SER 78 H 0.09 0.67 0.32 -0.55 8.46 8.99 2f0cC1 SER 78 HA -0.09 0.15 1.11 -0.75 4.49 4.91 2f0cC1 SER 78 HB2 0.03 0.03 0.18 -0.04 3.95 4.14 2f0cC1 SER 78 HB3 -0.02 0.01 0.02 -0.04 3.93 3.90 2f0cC1 LEU 79 H 0.03 0.81 0.47 -0.55 8.37 9.12 2f0cC1 LEU 79 HA 0.16 0.38 1.06 -0.75 4.35 5.19 2f0cC1 LEU 79 HB2 -0.14 -0.04 0.08 -0.04 1.64 1.49 2f0cC1 LEU 79 HB3 0.14 0.01 -0.04 -0.04 1.64 1.71 2f0cC1 LEU 79 HG 0.32 -0.05 -0.33 -0.04 1.64 1.54 2f0cC1 LEU 79 HD13 0.14 0.00 -0.13 -0.04 0.93 0.90 2f0cC1 LEU 79 HD23 0.35 0.03 -0.20 -0.04 0.89 1.03 2f0cC1 ARG 80 H 0.13 0.61 0.32 -0.55 8.46 8.97 2f0cC1 ARG 80 HA 0.24 0.22 0.82 -0.75 4.34 4.87 2f0cC1 ARG 80 HB2 0.08 0.00 -0.00 -0.04 1.90 1.94 2f0cC1 ARG 80 HB3 0.07 -0.05 0.12 -0.04 1.80 1.90 2f0cC1 ARG 80 HG2 0.09 0.16 -0.31 -0.04 1.67 1.58 2f0cC1 ARG 80 HG3 0.08 -0.06 -0.10 -0.04 1.67 1.55 2f0cC1 ARG 80 HD2 0.04 -0.04 -0.05 -0.04 3.22 3.13 2f0cC1 ARG 80 HD3 0.04 0.00 -0.14 -0.04 3.22 3.08 2f0cC1 LYS 81 H 0.35 0.62 0.32 -0.55 8.42 9.15 2f0cC1 LYS 81 HA 0.05 0.19 0.90 -0.75 4.32 4.71 2f0cC1 LYS 81 HB2 -0.00 -0.03 0.01 -0.04 1.87 1.81 2f0cC1 LYS 81 HB3 -0.07 -0.10 0.11 -0.04 1.79 1.69 2f0cC1 LYS 81 HG2 -0.07 0.11 -0.22 -0.04 1.46 1.24 2f0cC1 LYS 81 HG3 -0.06 -0.02 -0.27 -0.04 1.46 1.08 2f0cC1 LYS 81 HD2 -0.12 -0.01 -0.05 -0.04 1.69 1.47 2f0cC1 LYS 81 HD3 -0.24 0.03 -0.07 -0.04 1.68 1.36 2f0cC1 LYS 81 HE2 -0.49 -0.11 -0.11 -0.04 2.99 2.24 2f0cC1 LYS 81 HE3 -0.17 -0.05 -0.09 -0.04 2.99 2.64 2f0cC1 LYS 82 H -0.00 0.79 0.28 -0.55 8.42 8.93 2f0cC1 LYS 82 HA 0.01 0.24 0.76 -0.75 4.32 4.57 2f0cC1 LYS 82 HB2 -0.00 -0.01 0.18 -0.04 1.87 2.00 2f0cC1 LYS 82 HB3 0.00 -0.07 0.04 -0.04 1.79 1.72 2f0cC1 LYS 82 HG2 0.02 0.02 -0.02 -0.04 1.46 1.44 2f0cC1 LYS 82 HG3 0.02 0.01 -0.27 -0.04 1.46 1.18 2f0cC1 LYS 82 HD2 0.00 -0.01 -0.01 -0.04 1.69 1.63 2f0cC1 LYS 82 HD3 0.00 -0.02 0.01 -0.04 1.68 1.63 2f0cC1 LYS 82 HE2 0.01 -0.01 -0.02 -0.04 2.99 2.93 2f0cC1 LYS 82 HE3 0.02 0.01 -0.06 -0.04 2.99 2.92 2f0cC1 GLY 83 H -0.01 0.67 0.10 -0.55 8.43 8.64 2f0cC1 GLY 83 HA2 -0.02 0.03 0.38 -0.51 4.01 3.89 2f0cC1 GLY 83 HA3 -0.01 -0.04 0.60 -0.51 4.01 4.05 2f0cC1 THR 84 H -0.01 0.12 0.24 -0.55 8.28 8.07 2f0cC1 THR 84 HA -0.03 0.27 0.80 -0.75 4.39 4.67 2f0cC1 THR 84 HB -0.00 -0.13 0.22 -0.04 4.32 4.37 2f0cC1 THR 84 HG23 -0.01 0.01 -0.06 -0.04 1.22 1.12 2f0cC1 THR 85 H -0.03 0.49 -0.06 -0.55 8.28 8.14 2f0cC1 THR 85 HA -0.05 0.15 1.02 -0.75 4.39 4.75 2f0cC1 THR 85 HB -0.02 0.08 0.15 -0.04 4.32 4.48 2f0cC1 THR 85 HG23 -0.03 -0.00 -0.17 -0.04 1.22 0.98 2f0cC1 VAL 86 H -0.27 0.77 0.34 -0.55 8.24 8.54 2f0cC1 VAL 86 HA -0.05 0.18 1.01 -0.75 4.13 4.51 2f0cC1 VAL 86 HB -1.34 -0.01 0.07 -0.04 2.12 0.79 2f0cC1 VAL 86 HG13 0.10 -0.00 -0.27 -0.04 0.97 0.76 2f0cC1 VAL 86 HG23 -0.08 0.02 -0.20 -0.04 0.95 0.64 2f0cC1 GLU 87 H 0.01 0.71 0.36 -0.55 8.60 9.13 2f0cC1 GLU 87 HA -0.03 0.20 0.99 -0.75 4.29 4.69 2f0cC1 GLU 87 HB2 0.03 -0.03 0.25 -0.04 2.09 2.30 2f0cC1 GLU 87 HB3 -0.02 0.02 0.08 -0.04 1.99 2.03 2f0cC1 GLU 87 HG2 -0.03 -0.00 0.03 -0.04 2.34 2.30 2f0cC1 GLU 87 HG3 -0.01 0.00 0.04 -0.04 2.34 2.34 2f0cC1 TYR 88 H -0.17 0.65 0.38 -0.55 8.29 8.60 2f0cC1 TYR 88 HA 0.12 0.34 1.13 -0.75 4.56 5.39 2f0cC1 TYR 88 HB2 0.20 -0.02 -0.05 -0.04 3.06 3.14 2f0cC1 TYR 88 HB3 0.30 0.01 -0.20 -0.04 2.98 3.05 2f0cC1 TYR 88 HD2 0.21 0.04 -0.38 -0.04 7.15 6.98 2f0cC1 TYR 88 HE2 0.12 0.12 -0.31 -0.04 6.85 6.73 2f0cC1 SER 89 H 0.23 0.49 0.29 -0.55 8.46 8.93 2f0cC1 SER 89 HA 0.11 0.20 0.87 -0.75 4.49 4.92 2f0cC1 SER 89 HB2 0.02 0.02 -0.05 -0.04 3.95 3.90 2f0cC1 SER 89 HB3 0.06 -0.05 0.14 -0.04 3.93 4.04 2f0cC1 ILE 90 H 0.26 0.72 0.29 -0.55 8.25 8.97 2f0cC1 ILE 90 HA 0.19 0.11 0.81 -0.75 4.18 4.53 2f0cC1 ILE 90 HB 0.29 -0.11 -0.08 -0.04 1.89 1.95 2f0cC1 ILE 90 HG12 0.24 -0.02 -0.12 -0.04 1.49 1.55 2f0cC1 ILE 90 HG13 0.37 0.00 -0.12 -0.04 1.21 1.42 2f0cC1 ILE 90 HG23 0.35 0.03 -0.27 -0.04 0.93 0.99 2f0cC1 ILE 90 HD13 0.26 -0.01 -0.28 -0.04 0.88 0.82 2f0cC1 GLY 91 H 0.09 0.64 0.38 -0.55 8.43 9.00 2f0cC1 GLY 91 HA2 0.08 0.28 0.78 -0.51 4.01 4.64 2f0cC1 GLY 91 HA3 0.04 -0.10 0.39 -0.51 4.01 3.84 2f0cC1 GLY 92 H 0.01 0.08 0.21 -0.55 8.43 8.18 2f0cC1 GLY 92 HA2 -0.02 -0.02 0.40 -0.51 4.01 3.86 2f0cC1 GLY 92 HA3 -0.02 0.20 0.96 -0.51 4.01 4.64 2f0cC1 GLU 93 H -0.05 0.56 0.13 -0.55 8.60 8.69 2f0cC1 GLU 93 HA -0.04 0.16 0.85 -0.75 4.29 4.50 2f0cC1 GLU 93 HB2 -0.03 0.01 -0.25 -0.04 2.09 1.79 2f0cC1 GLU 93 HB3 -0.04 -0.06 0.02 -0.04 1.99 1.87 2f0cC1 GLU 93 HG2 -0.03 -0.06 -0.05 -0.04 2.34 2.15 2f0cC1 GLU 93 HG3 -0.05 0.16 -0.19 -0.04 2.34 2.23 2f0cC1 ILE 94 H -0.09 0.63 0.21 -0.55 8.25 8.44 2f0cC1 ILE 94 HA -0.17 0.23 0.47 -0.75 4.18 3.96 2f0cC1 ILE 94 HB -0.14 -0.18 -0.25 -0.04 1.89 1.28 2f0cC1 ILE 94 HG12 -0.36 0.02 -0.11 -0.04 1.49 0.99 2f0cC1 ILE 94 HG13 -0.20 0.02 -0.17 -0.04 1.21 0.82 2f0cC1 ILE 94 HG23 -0.23 0.01 -0.28 -0.04 0.93 0.38 2f0cC1 ILE 94 HD13 -0.40 0.02 -0.22 -0.04 0.88 0.23 2f0cC1 SER 95 H -0.13 0.42 0.28 -0.55 8.46 8.48 2f0cC1 SER 95 HA -0.07 0.19 0.88 -0.75 4.49 4.74 2f0cC1 SER 95 HB2 -0.06 -0.05 0.10 -0.04 3.95 3.90 2f0cC1 SER 95 HB3 -0.06 0.10 -0.08 -0.04 3.93 3.85 2f0cC1 SER 96 H -0.13 0.24 0.18 -0.55 8.46 8.20 2f0cC1 SER 96 HA -0.08 0.13 0.36 -0.75 4.49 4.15 2f0cC1 SER 96 HB2 -0.08 -0.04 0.17 -0.04 3.95 3.96 2f0cC1 SER 96 HB3 -0.07 0.13 0.05 -0.04 3.93 4.00 2f0cC1 SER 97 H -0.08 0.12 0.12 -0.55 8.46 8.07 2f0cC1 SER 97 HA -0.12 0.12 0.49 -0.75 4.49 4.22 2f0cC1 SER 97 HB2 -0.07 -0.02 0.17 -0.04 3.95 3.99 2f0cC1 SER 97 HB3 -0.07 0.00 -0.07 -0.04 3.93 3.76 2f0cC1 ILE 98 H -0.26 0.83 0.43 -0.55 8.25 8.70 2f0cC1 ILE 98 HA -0.26 0.05 0.78 -0.75 4.18 4.00 2f0cC1 ILE 98 HB -0.84 0.04 0.22 -0.04 1.89 1.27 2f0cC1 ILE 98 HG12 -0.35 -0.10 -0.10 -0.04 1.49 0.90 2f0cC1 ILE 98 HG13 -0.37 0.21 0.03 -0.04 1.21 1.04 2f0cC1 ILE 98 HG23 -0.95 0.02 -0.13 -0.04 0.93 -0.17 2f0cC1 ILE 98 HD13 -0.63 -0.00 -0.04 -0.04 0.88 0.17 2f0cC1 LEU 99 H -0.12 0.15 0.03 -0.55 8.37 7.88 2f0cC1 LEU 99 HA -0.02 -0.04 0.38 -0.75 4.35 3.91 2f0cC1 LEU 99 HB2 -0.02 0.04 -0.00 -0.04 1.64 1.62 2f0cC1 LEU 99 HB3 0.00 0.02 0.04 -0.04 1.64 1.66 2f0cC1 LEU 99 HG -0.06 0.05 -0.03 -0.04 1.64 1.56 2f0cC1 LEU 99 HD13 -0.02 0.00 -0.01 -0.04 0.93 0.87 2f0cC1 LEU 99 HD23 -0.04 -0.02 -0.17 -0.04 0.89 0.62 2f0cC1 ALA 100 H 0.08 -0.03 0.07 -0.55 8.40 7.97 2f0cC1 ALA 100 HA 0.27 0.29 0.28 -0.75 4.34 4.43 2f0cC1 ALA 100 HB3 0.10 -0.07 0.12 -0.04 1.41 1.52 2f0cC1 ASN 101 H 0.08 0.33 0.26 -0.55 8.53 8.65 2f0cC1 ASN 101 HA -0.29 0.07 0.41 -0.75 4.76 4.21 2f0cC1 ASN 101 HB2 0.09 0.09 -0.10 -0.04 2.88 2.92 2f0cC1 ASN 101 HB3 0.23 -0.05 0.11 -0.04 2.79 3.04 2f0cC1 ASN 101 HD21 0.10 -0.02 -0.09 -0.04 7.03 6.98 2f0cC1 ASN 101 HD22 0.09 0.01 -0.15 -0.04 7.74 7.65 2f0cC1 SER 102 H -0.04 0.32 0.07 -0.55 8.46 8.27 2f0cC1 SER 102 HA -0.05 0.15 0.79 -0.75 4.49 4.63 2f0cC1 SER 102 HB2 -0.04 0.01 -0.02 -0.04 3.95 3.86 2f0cC1 SER 102 HB3 -0.01 0.01 -0.23 -0.04 3.93 3.65 2f0cC1 ASN 103 H -0.04 0.11 0.15 -0.55 8.53 8.20 2f0cC1 ASN 103 HA -0.05 0.22 0.67 -0.75 4.76 4.85 2f0cC1 ASN 103 HB2 -0.02 -0.07 0.06 -0.04 2.88 2.81 2f0cC1 ASN 103 HB3 -0.01 0.07 -0.13 -0.04 2.79 2.68 2f0cC1 ASN 103 HD21 0.00 -0.00 -0.00 -0.04 7.03 6.99 2f0cC1 ASN 103 HD22 -0.01 -0.03 0.01 -0.04 7.74 7.68 2f0cC1 LEU 104 H -0.01 0.83 0.22 -0.55 8.37 8.86 2f0cC1 LEU 104 HA -0.04 -0.04 0.71 -0.75 4.35 4.23 2f0cC1 LEU 104 HB2 0.02 0.05 0.05 -0.04 1.64 1.71 2f0cC1 LEU 104 HB3 0.00 -0.05 -0.34 -0.04 1.64 1.20 2f0cC1 LEU 104 HG 0.00 0.04 -0.27 -0.04 1.64 1.38 2f0cC1 LEU 104 HD13 0.09 -0.02 -0.27 -0.04 0.93 0.69 2f0cC1 LEU 104 HD23 -0.10 -0.00 -0.16 -0.04 0.89 0.59 2f0cC1 VAL 105 H -0.02 0.04 0.16 -0.55 8.24 7.86 2f0cC1 VAL 105 HA 0.00 0.23 0.66 -0.75 4.13 4.27 2f0cC1 VAL 105 HB -0.00 0.01 0.08 -0.04 2.12 2.17 2f0cC1 VAL 105 HG13 -0.01 0.02 -0.28 -0.04 0.97 0.66 2f0cC1 VAL 105 HG23 -0.02 -0.00 -0.04 -0.04 0.95 0.84 2f0cC1 ASN 106 H -0.00 0.25 0.16 -0.55 8.53 8.39 2f0cC1 ASN 106 HA 0.01 0.04 0.61 -0.75 4.76 4.66 2f0cC1 ASN 106 HB2 -0.01 -0.22 0.03 -0.04 2.88 2.64 2f0cC1 ASN 106 HB3 0.01 0.17 -0.36 -0.04 2.79 2.56 2f0cC1 ASN 106 HD21 0.00 -0.09 -0.05 -0.04 7.03 6.85 2f0cC1 ASN 106 HD22 0.01 0.49 -0.07 -0.04 7.74 8.14 2f0cC1 ARG 107 H 0.06 0.43 0.07 -0.55 8.46 8.47 2f0cC1 ARG 107 HA 0.09 0.09 0.65 -0.75 4.34 4.42 2f0cC1 ARG 107 HB2 0.20 0.01 -0.25 -0.04 1.90 1.82 2f0cC1 ARG 107 HB3 0.34 0.08 -0.16 -0.04 1.80 2.03 2f0cC1 ARG 107 HG2 0.08 0.04 -0.44 -0.04 1.67 1.31 2f0cC1 ARG 107 HG3 0.13 -0.19 -0.07 -0.04 1.67 1.49 2f0cC1 ARG 107 HD2 0.22 -0.06 0.02 -0.04 3.22 3.36 2f0cC1 ARG 107 HD3 0.15 0.02 0.12 -0.04 3.22 3.47 2f0cC1 SER 108 H 0.05 0.09 0.05 -0.55 8.46 8.10 2f0cC1 SER 108 HA 0.01 0.21 0.85 -0.75 4.49 4.81 2f0cC1 SER 108 HB2 -0.02 -0.09 -0.03 -0.04 3.95 3.76 2f0cC1 SER 108 HB3 -0.04 0.14 -0.14 -0.04 3.93 3.84 2f0cC1 VAL 109 H -0.08 0.55 0.26 -0.55 8.24 8.42 2f0cC1 VAL 109 HA -0.89 0.06 0.51 -0.75 4.13 3.05 2f0cC1 VAL 109 HB -0.09 -0.04 0.08 -0.04 2.12 2.02 2f0cC1 VAL 109 HG13 -0.12 0.05 -0.29 -0.04 0.97 0.56 2f0cC1 VAL 109 HG23 0.02 -0.00 -0.03 -0.04 0.95 0.90 2f0cC1 PRO 110 HA -0.19 0.08 0.32 -0.51 4.44 4.15 2f0cC1 PRO 110 HB2 -0.02 -0.09 -0.04 -0.04 2.28 2.09 2f0cC1 PRO 110 HB3 -0.15 0.02 0.07 -0.04 2.02 1.92 2f0cC1 PRO 110 HG2 -1.25 0.02 0.02 -0.04 2.03 0.79 2f0cC1 PRO 110 HG3 -0.74 0.09 0.05 -0.04 2.03 1.40 2f0cC1 PRO 110 HD2 -1.37 0.05 0.08 -0.04 3.68 2.40 2f0cC1 PRO 110 HD3 -2.53 0.21 0.19 -0.04 3.65 1.47 2f0cC1 ASN 111 H -0.06 0.12 0.13 -0.55 8.53 8.17 2f0cC1 ASN 111 HA -0.03 0.20 0.24 -0.75 4.76 4.42 2f0cC1 ASN 111 HB2 -0.03 0.01 0.12 -0.04 2.88 2.94 2f0cC1 ASN 111 HB3 -0.03 -0.06 0.04 -0.04 2.79 2.69 2f0cC1 ASN 111 HD21 -0.02 0.01 -0.06 -0.04 7.03 6.91 2f0cC1 ASN 111 HD22 -0.03 -0.05 -0.10 -0.04 7.74 7.52 2f0cC1 GLU 112 H -0.04 0.01 -0.33 -0.55 8.60 7.69 2f0cC1 GLU 112 HA -0.12 0.09 0.29 -0.75 4.29 3.78 2f0cC1 GLU 112 HB2 -0.13 -0.04 0.03 -0.04 2.09 1.91 2f0cC1 GLU 112 HB3 -0.22 -0.03 -0.06 -0.04 1.99 1.64 2f0cC1 GLU 112 HG2 -0.81 0.03 -0.24 -0.04 2.34 1.28 2f0cC1 GLU 112 HG3 -0.28 0.03 0.03 -0.04 2.34 2.08 2f0cC1 PHE 113 H 0.11 0.47 -0.47 -0.55 8.34 7.90 2f0cC1 PHE 113 HA 0.04 0.13 0.61 -0.75 4.62 4.64 2f0cC1 PHE 113 HB2 -0.10 0.08 -0.13 -0.04 3.15 2.96 2f0cC1 PHE 113 HB3 0.11 -0.05 -0.03 -0.04 3.06 3.05 2f0cC1 PHE 113 HD2 -0.06 0.00 -0.16 -0.04 7.28 7.02 2f0cC1 PHE 113 HE2 0.06 -0.02 -0.16 -0.04 7.38 7.22 2f0cC1 PHE 113 HZ 0.14 -0.03 -0.55 -0.04 7.32 6.83 2f0cC1 CYS 114 H 0.05 0.36 -0.31 -0.55 8.50 8.06 2f0cC1 CYS 114 HA 0.09 0.04 0.39 -0.75 4.58 4.34 2f0cC1 CYS 114 HB2 0.01 0.05 0.09 -0.04 2.97 3.08 2f0cC1 CYS 114 HB3 0.02 0.09 -0.05 -0.04 2.97 2.98 2f0cC1 PRO 115 HA 0.12 0.15 0.56 -0.51 4.44 4.76 2f0cC1 PRO 115 HB2 0.07 0.04 -0.02 -0.04 2.28 2.34 2f0cC1 PRO 115 HB3 0.24 0.11 0.06 -0.04 2.02 2.39 2f0cC1 PRO 115 HG2 -0.02 -0.14 -0.37 -0.04 2.03 1.46 2f0cC1 PRO 115 HG3 -0.17 -0.03 0.02 -0.04 2.03 1.81 2f0cC1 PRO 115 HD2 -0.00 0.13 -0.15 -0.04 3.68 3.61 2f0cC1 PRO 115 HD3 0.02 0.16 0.11 -0.04 3.65 3.90 2f0cC1 ARG 116 H 0.05 0.44 0.11 -0.55 8.46 8.51 2f0cC1 ARG 116 HA 0.02 0.04 0.55 -0.75 4.34 4.19 2f0cC1 ARG 116 HB2 0.02 0.08 0.22 -0.04 1.90 2.18 2f0cC1 ARG 116 HB3 0.03 0.01 0.08 -0.04 1.80 1.88 2f0cC1 ARG 116 HG2 0.01 -0.02 -0.15 -0.04 1.67 1.47 2f0cC1 ARG 116 HG3 0.01 -0.01 0.07 -0.04 1.67 1.70 2f0cC1 ARG 116 HD2 0.02 -0.04 0.00 -0.04 3.22 3.15 2f0cC1 ARG 116 HD3 0.01 -0.02 -0.00 -0.04 3.22 3.16 2f0cC1 ASN 117 H 0.04 0.22 -0.15 -0.55 8.53 8.10 2f0cC1 ASN 117 HA 0.01 0.07 0.82 -0.75 4.76 4.91 2f0cC1 ASN 117 HB2 0.03 0.04 0.02 -0.04 2.88 2.92 2f0cC1 ASN 117 HB3 0.01 0.04 -0.04 -0.04 2.79 2.76 2f0cC1 ASN 117 HD21 0.01 -0.05 -0.06 -0.04 7.03 6.90 2f0cC1 ASN 117 HD22 0.02 0.08 -0.04 -0.04 7.74 7.75 2f0cC1 ARG 118 H -0.00 0.05 0.09 -0.55 8.46 8.05 2f0cC1 ARG 118 HA -0.03 0.24 0.51 -0.75 4.34 4.30 2f0cC1 ARG 118 HB2 0.00 -0.08 0.13 -0.04 1.90 1.91 2f0cC1 ARG 118 HB3 -0.01 -0.03 0.09 -0.04 1.80 1.82 2f0cC1 ARG 118 HG2 0.00 0.04 -0.42 -0.04 1.67 1.25 2f0cC1 ARG 118 HG3 0.02 -0.02 -0.24 -0.04 1.67 1.39 2f0cC1 ARG 118 HD2 -0.00 -0.01 -0.07 -0.04 3.22 3.10 2f0cC1 ARG 118 HD3 0.04 -0.01 -0.13 -0.04 3.22 3.07 2f0cC1 CYS 119 H -0.10 0.48 0.34 -0.55 8.50 8.66 2f0cC1 CYS 119 HA -0.04 0.14 0.92 -0.75 4.58 4.83 2f0cC1 CYS 119 HB2 -0.35 -0.02 0.14 -0.04 2.97 2.69 2f0cC1 CYS 119 HB3 -0.07 -0.02 0.07 -0.04 2.97 2.90 2f0cC1 SER 120 H -0.06 0.23 0.14 -0.55 8.46 8.22 2f0cC1 SER 120 HA 0.05 0.17 0.85 -0.75 4.49 4.81 2f0cC1 SER 120 HB2 -0.19 0.00 0.12 -0.04 3.95 3.84 2f0cC1 SER 120 HB3 -0.42 -0.02 -0.12 -0.04 3.93 3.34 2f0cC1 LEU 121 H 0.01 0.73 0.20 -0.55 8.37 8.76 2f0cC1 LEU 121 HA -0.10 0.11 0.60 -0.75 4.35 4.21 2f0cC1 LEU 121 HB2 -0.17 -0.06 0.13 -0.04 1.64 1.50 2f0cC1 LEU 121 HB3 -0.70 0.03 -0.10 -0.04 1.64 0.82 2f0cC1 LEU 121 HG -0.25 0.10 -0.12 -0.04 1.64 1.32 2f0cC1 LEU 121 HD13 -0.59 -0.01 -0.16 -0.04 0.93 0.13 2f0cC1 LEU 121 HD23 -0.32 -0.00 -0.34 -0.04 0.89 0.20 2f0cC1 VAL 122 H 0.02 0.18 0.20 -0.55 8.24 8.08 2f0cC1 VAL 122 HA -0.11 0.15 0.67 -0.75 4.13 4.08 2f0cC1 VAL 122 HB -0.01 -0.03 0.16 -0.04 2.12 2.20 2f0cC1 VAL 122 HG13 -0.08 0.02 -0.02 -0.04 0.97 0.85 2f0cC1 VAL 122 HG23 -0.07 0.01 0.00 -0.04 0.95 0.85 2f0cC1 GLY 123 H -0.73 0.56 0.34 -0.55 8.43 8.05 2f0cC1 GLY 123 HA2 -0.18 0.22 0.97 -0.51 4.01 4.52 2f0cC1 GLY 123 HA3 -0.92 -0.03 0.29 -0.51 4.01 2.84 2f0cC1 HIS 124 H 0.08 0.63 0.43 -0.55 8.41 9.01 2f0cC1 HIS 124 HA 0.05 0.21 1.06 -0.75 4.63 5.20 2f0cC1 HIS 124 HB2 0.02 0.01 -0.12 -0.04 3.26 3.13 2f0cC1 HIS 124 HB3 0.05 -0.04 0.04 -0.04 3.20 3.20 2f0cC1 HIS 124 HD2 0.13 -0.02 -0.29 -0.04 6.97 6.74 2f0cC1 HIS 124 HE1 0.00 -0.23 -0.02 -0.04 7.75 7.45 2f0cC1 MET 125 H -0.36 0.70 0.27 -0.55 8.47 8.53 2f0cC1 MET 125 HA 0.04 0.20 0.77 -0.75 4.52 4.77 2f0cC1 MET 125 HB2 -0.08 -0.06 0.09 -0.04 2.15 2.06 2f0cC1 MET 125 HB3 -0.01 -0.02 -0.02 -0.04 2.03 1.94 2f0cC1 MET 125 HG2 0.28 0.04 -0.20 -0.04 2.63 2.72 2f0cC1 MET 125 HG3 0.16 0.00 -0.11 -0.04 2.56 2.57 2f0cC1 MET 125 HE3 0.28 0.02 -0.16 -0.04 2.10 2.20 2f0cC1 VAL 126 H -0.01 0.54 0.31 -0.55 8.24 8.54 2f0cC1 VAL 126 HA 0.07 0.01 0.40 -0.75 4.13 3.85 2f0cC1 VAL 126 HB 0.00 -0.08 0.21 -0.04 2.12 2.21 2f0cC1 VAL 126 HG13 0.01 -0.01 -0.07 -0.04 0.97 0.86 2f0cC1 VAL 126 HG23 0.05 0.06 0.10 -0.04 0.95 1.12 2f0cC1 GLY 127 H 0.03 0.15 0.24 -0.55 8.43 8.30 2f0cC1 GLY 127 HA2 -0.06 -0.01 0.33 -0.51 4.01 3.76 2f0cC1 GLY 127 HA3 -0.05 0.09 0.27 -0.51 4.01 3.82 2f0cC1 GLY 128 H -0.04 0.35 -0.02 -0.55 8.43 8.18 2f0cC1 GLY 128 HA2 -0.30 0.14 0.67 -0.51 4.01 4.01 2f0cC1 GLY 128 HA3 -0.07 -0.01 0.32 -0.51 4.01 3.74 2f0cC1 TRP 129 H 0.16 0.15 0.14 -0.55 7.97 7.87 2f0cC1 TRP 129 HA 0.20 0.24 0.76 -0.75 4.62 5.06 2f0cC1 TRP 129 HB2 0.06 -0.01 0.11 -0.04 3.23 3.35 2f0cC1 TRP 129 HB3 0.07 0.02 0.21 -0.04 3.23 3.49 2f0cC1 TRP 129 HD1 0.04 0.00 0.03 -0.04 7.22 7.25 2f0cC1 TRP 129 HE1 0.03 0.00 -0.00 -0.04 10.20 10.19 2f0cC1 TRP 129 HE3 0.03 0.04 0.01 -0.04 7.59 7.63 2f0cC1 TRP 129 HZ2 0.02 -0.01 -0.02 -0.04 7.44 7.39 2f0cC1 TRP 129 HZ3 -0.02 0.01 -0.02 -0.04 7.13 7.06 2f0cC1 TRP 129 HH2 0.00 -0.01 -0.02 -0.04 7.19 7.13 2f0cC1 ASN 130 H 0.15 0.11 -0.26 -0.55 8.53 7.99 2f0cC1 ASN 130 HA 0.19 0.12 0.48 -0.75 4.76 4.79 2f0cC1 ASN 130 HB2 0.07 -0.02 0.08 -0.04 2.88 2.97 2f0cC1 ASN 130 HB3 0.13 0.09 -0.05 -0.04 2.79 2.92 2f0cC1 ASN 130 HD21 0.08 0.01 -0.01 -0.04 7.03 7.07 2f0cC1 ASN 130 HD22 0.08 0.03 -0.02 -0.04 7.74 7.78 2f0cC1 ALA 131 H 0.13 0.17 0.29 -0.55 8.40 8.45 2f0cC1 ALA 131 HA 0.08 0.20 1.14 -0.75 4.34 5.01 2f0cC1 ALA 131 HB3 0.04 0.01 0.11 -0.04 1.41 1.54 2f0cC1 PHE 132 H -0.46 0.57 0.27 -0.55 8.34 8.17 2f0cC1 PHE 132 HA -0.23 0.18 0.62 -0.75 4.62 4.43 2f0cC1 PHE 132 HB2 -1.16 -0.09 0.08 -0.04 3.15 1.95 2f0cC1 PHE 132 HB3 -0.49 0.05 -0.13 -0.04 3.06 2.44 2f0cC1 PHE 132 HD2 -0.14 -0.00 -0.41 -0.04 7.28 6.68 2f0cC1 PHE 132 HE2 0.13 0.04 -0.31 -0.04 7.38 7.20 2f0cC1 PHE 132 HZ 0.17 0.03 -0.23 -0.04 7.32 7.25 2f0cC1 HIS 133 H -0.24 0.19 0.05 -0.55 8.41 7.88 2f0cC1 HIS 133 HA -0.14 0.29 0.31 -0.75 4.63 4.33 2f0cC1 HIS 133 HB2 -0.04 -0.01 -0.29 -0.04 3.26 2.87 2f0cC1 HIS 133 HB3 -0.10 0.05 -0.09 -0.04 3.20 3.03 2f0cC1 HIS 133 HD2 -0.06 0.02 -0.17 -0.04 6.97 6.72 2f0cC1 HIS 133 HE1 -0.25 0.01 -0.14 -0.04 7.75 7.32 2f0cC1 ILE 134 H 0.16 0.61 0.23 -0.55 8.25 8.69 2f0cC1 ILE 134 HA 0.08 0.33 1.04 -0.75 4.18 4.88 2f0cC1 ILE 134 HB 0.15 -0.00 0.06 -0.04 1.89 2.05 2f0cC1 ILE 134 HG12 0.31 0.02 -0.07 -0.04 1.49 1.71 2f0cC1 ILE 134 HG13 0.43 -0.11 -0.35 -0.04 1.21 1.14 2f0cC1 ILE 134 HG23 0.09 0.01 -0.22 -0.04 0.93 0.78 2f0cC1 ILE 134 HD13 0.30 0.00 -0.15 -0.04 0.88 0.99 2f0cC1 ASP 135 H 0.16 0.50 0.27 -0.55 8.40 8.78 2f0cC1 ASP 135 HA 0.10 0.34 1.05 -0.75 4.63 5.37 2f0cC1 ASP 135 HB2 0.34 -0.04 0.10 -0.04 2.71 3.07 2f0cC1 ASP 135 HB3 0.14 0.00 -0.16 -0.04 2.70 2.64 2f0cC1 ILE 136 H -0.09 0.58 0.24 -0.55 8.25 8.44 2f0cC1 ILE 136 HA -0.03 0.14 0.74 -0.75 4.18 4.28 2f0cC1 ILE 136 HB -0.35 -0.02 0.17 -0.04 1.89 1.65 2f0cC1 ILE 136 HG12 -0.06 0.00 -0.13 -0.04 1.49 1.26 2f0cC1 ILE 136 HG13 -0.18 -0.03 -0.22 -0.04 1.21 0.74 2f0cC1 ILE 136 HG23 -0.07 0.05 -0.09 -0.04 0.93 0.78 2f0cC1 ILE 136 HD13 -0.26 0.00 -0.11 -0.04 0.88 0.47 2f0cC1 PRO 137 HA -0.01 0.13 0.72 -0.51 4.44 4.77 2f0cC1 PRO 137 HB2 0.01 -0.12 0.04 -0.04 2.28 2.17 2f0cC1 PRO 137 HB3 0.03 0.06 0.05 -0.04 2.02 2.12 2f0cC1 PRO 137 HG2 0.01 -0.15 -0.07 -0.04 2.03 1.78 2f0cC1 PRO 137 HG3 0.04 0.15 -0.03 -0.04 2.03 2.15 2f0cC1 PRO 137 HD2 -0.00 -0.01 -0.26 -0.04 3.68 3.36 2f0cC1 PRO 137 HD3 0.03 0.24 -0.26 -0.04 3.65 3.62 2f0cC1 SER 138 H 0.00 0.10 0.05 -0.55 8.46 8.07 2f0cC1 SER 138 HA 0.01 0.36 0.26 -0.75 4.49 4.36 2f0cC1 SER 138 HB2 0.00 -0.14 0.05 -0.04 3.95 3.83 2f0cC1 SER 138 HB3 0.01 0.01 0.02 -0.04 3.93 3.92 2f0cC1 SER 139 H 0.00 -0.03 -0.36 -0.55 8.46 7.53 2f0cC1 SER 139 HA -0.01 0.15 0.46 -0.75 4.49 4.34 2f0cC1 SER 139 HB2 -0.00 0.03 0.06 -0.04 3.95 4.00 2f0cC1 SER 139 HB3 0.00 -0.01 0.04 -0.04 3.93 3.93 2f0cC1 GLY 140 H -0.01 0.47 -0.48 -0.55 8.43 7.86 2f0cC1 GLY 140 HA2 -0.03 0.05 0.23 -0.51 4.01 3.75 2f0cC1 GLY 140 HA3 -0.04 0.30 0.51 -0.51 4.01 4.27 2f0cC1 VAL 141 H -0.00 0.01 -0.50 -0.55 8.24 7.20 2f0cC1 VAL 141 HA 0.00 0.14 0.68 -0.75 4.13 4.20 2f0cC1 VAL 141 HB 0.01 -0.08 0.11 -0.04 2.12 2.11 2f0cC1 VAL 141 HG13 0.00 0.03 -0.08 -0.04 0.97 0.89 2f0cC1 VAL 141 HG23 0.00 0.02 -0.07 -0.04 0.95 0.85 2f0cC1 CYS 142 H 0.02 0.25 0.24 -0.55 8.50 8.46 2f0cC1 CYS 142 HA 0.02 0.21 0.47 -0.75 4.58 4.52 2f0cC1 CYS 142 HB2 0.05 -0.05 0.10 -0.04 2.97 3.03 2f0cC1 CYS 142 HB3 0.05 0.00 0.05 -0.04 2.97 3.04 2f0cC1 GLN 143 H 0.02 0.45 0.33 -0.55 8.47 8.72 2f0cC1 GLN 143 HA -0.10 0.28 1.00 -0.75 4.36 4.79 2f0cC1 GLN 143 HB2 -0.08 -0.12 0.01 -0.04 2.15 1.92 2f0cC1 GLN 143 HB3 -0.63 0.06 -0.21 -0.04 2.02 1.20 2f0cC1 GLN 143 HG2 -0.06 0.03 -0.27 -0.04 2.40 2.06 2f0cC1 GLN 143 HG3 0.02 0.09 -0.31 -0.04 2.39 2.15 2f0cC1 GLN 143 HE21 0.11 -0.02 -0.10 -0.04 6.97 6.91 2f0cC1 GLN 143 HE22 -0.01 -0.02 -0.18 -0.04 7.69 7.44 2f0cC1 TRP 144 H -0.05 0.70 0.23 -0.55 7.97 8.30 2f0cC1 TRP 144 HA -0.17 0.11 0.89 -0.75 4.62 4.70 2f0cC1 TRP 144 HB2 -0.16 -0.02 0.02 -0.04 3.23 3.03 2f0cC1 TRP 144 HB3 -0.20 0.06 0.15 -0.04 3.23 3.20 2f0cC1 TRP 144 HD1 -0.13 0.09 -0.23 -0.04 7.22 6.91 2f0cC1 TRP 144 HE1 -0.06 0.53 -0.42 -0.04 10.20 10.21 2f0cC1 TRP 144 HE3 -0.24 0.01 -0.09 -0.04 7.59 7.23 2f0cC1 TRP 144 HZ2 -0.12 0.06 -0.11 -0.04 7.44 7.23 2f0cC1 TRP 144 HZ3 -1.34 -0.00 -0.16 -0.04 7.13 5.58 2f0cC1 TRP 144 HH2 -0.68 -0.01 -0.17 -0.04 7.19 6.29 2f0cC1 PHE 145 H -0.54 0.68 0.35 -0.55 8.34 8.28 2f0cC1 PHE 145 HA -0.26 0.14 1.02 -0.75 4.62 4.77 2f0cC1 PHE 145 HB2 -1.23 0.02 0.05 -0.04 3.15 1.94 2f0cC1 PHE 145 HB3 -0.42 -0.01 0.18 -0.04 3.06 2.77 2f0cC1 PHE 145 HD2 -0.17 -0.00 -0.07 -0.04 7.28 6.99 2f0cC1 PHE 145 HE2 0.00 0.01 -0.09 -0.04 7.38 7.26 2f0cC1 PHE 145 HZ 0.01 0.01 -0.13 -0.04 7.32 7.17 2f0cC1 GLY 146 H -1.94 0.02 -0.02 -0.55 8.43 5.94 2f0cC1 GLY 146 HA2 -0.25 0.16 0.80 -0.51 4.01 4.21 2f0cC1 GLY 146 HA3 -0.65 0.05 0.33 -0.51 4.01 3.23 2f0cC1 PRO 147 HA 0.14 0.06 0.57 -0.51 4.44 4.69 2f0cC1 PRO 147 HB2 0.11 0.04 0.10 -0.04 2.28 2.48 2f0cC1 PRO 147 HB3 0.09 0.02 0.09 -0.04 2.02 2.17 2f0cC1 PRO 147 HG2 0.17 0.11 -0.13 -0.04 2.03 2.14 2f0cC1 PRO 147 HG3 0.11 0.02 0.04 -0.04 2.03 2.16 2f0cC1 PRO 147 HD2 0.26 0.08 0.09 -0.04 3.68 4.06 2f0cC1 PRO 147 HD3 0.07 0.16 0.20 -0.04 3.65 4.04 2f0cC1 THR 148 H 0.11 0.05 0.15 -0.55 8.28 8.04 2f0cC1 THR 148 HA 0.07 0.35 0.58 -0.75 4.39 4.63 2f0cC1 THR 148 HB 0.04 -0.00 0.14 -0.04 4.32 4.45 2f0cC1 THR 148 HG23 -0.01 0.00 -0.20 -0.04 1.22 0.97 2f0cC1 ALA 149 H -0.11 0.68 0.31 -0.55 8.40 8.74 2f0cC1 ALA 149 HA -0.01 0.05 0.74 -0.75 4.34 4.37 2f0cC1 ALA 149 HB3 -0.04 0.04 -0.03 -0.04 1.41 1.34 2f0cC1 SER 150 H -0.06 0.15 0.12 -0.55 8.46 8.12 2f0cC1 SER 150 HA -0.14 0.34 0.84 -0.75 4.49 4.78 2f0cC1 SER 150 HB2 -0.07 -0.01 -0.05 -0.04 3.95 3.78 2f0cC1 SER 150 HB3 -0.07 -0.05 -0.15 -0.04 3.93 3.62 2f0cC1 SER 151 H -0.08 0.21 0.10 -0.55 8.46 8.14 2f0cC1 SER 151 HA -0.08 0.30 0.55 -0.75 4.49 4.51 2f0cC1 SER 151 HB2 -0.04 -0.01 0.09 -0.04 3.95 3.96 2f0cC1 SER 151 HB3 -0.04 0.09 -0.15 -0.04 3.93 3.79 2f0cC1 GLY 152 H -0.05 0.22 0.18 -0.55 8.43 8.23 2f0cC1 GLY 152 HA2 -0.02 0.05 0.31 -0.51 4.01 3.84 2f0cC1 GLY 152 HA3 -0.03 0.20 0.83 -0.51 4.01 4.50 2f0cC1 THR 153 H -0.00 0.18 0.10 -0.55 8.28 8.01 2f0cC1 THR 153 HA -0.00 0.29 0.92 -0.75 4.39 4.83 2f0cC1 THR 153 HB 0.01 -0.13 0.27 -0.04 4.32 4.44 2f0cC1 THR 153 HG23 0.02 0.05 -0.00 -0.04 1.22 1.25 2f0cC1 PRO 154 HA 0.29 0.16 0.57 -0.51 4.44 4.96 2f0cC1 PRO 154 HB2 0.19 0.02 -0.20 -0.04 2.28 2.25 2f0cC1 PRO 154 HB3 -0.12 -0.03 -0.14 -0.04 2.02 1.70 2f0cC1 PRO 154 HG2 0.04 0.16 -0.16 -0.04 2.03 2.03 2f0cC1 PRO 154 HG3 -0.10 -0.02 -0.18 -0.04 2.03 1.70 2f0cC1 PRO 154 HD2 0.00 0.32 -0.12 -0.04 3.68 3.84 2f0cC1 PRO 154 HD3 -0.05 0.12 -0.13 -0.04 3.65 3.56 2f0cC1 ARG 155 H 0.37 0.42 0.36 -0.55 8.46 9.06 2f0cC1 ARG 155 HA 0.19 0.43 0.89 -0.75 4.34 5.09 2f0cC1 ARG 155 HB2 0.17 0.00 0.07 -0.04 1.90 2.10 2f0cC1 ARG 155 HB3 0.12 -0.06 0.08 -0.04 1.80 1.91 2f0cC1 ARG 155 HG2 0.11 -0.02 -0.66 -0.04 1.67 1.06 2f0cC1 ARG 155 HG3 0.10 -0.08 -0.08 -0.04 1.67 1.57 2f0cC1 ARG 155 HD2 0.08 -0.07 0.07 -0.04 3.22 3.25 2f0cC1 ARG 155 HD3 0.10 0.30 0.19 -0.04 3.22 3.76 2f0cC1 GLY 156 H 0.15 0.29 0.21 -0.55 8.43 8.53 2f0cC1 GLY 156 HA2 0.10 -0.01 0.39 -0.51 4.01 3.98 2f0cC1 GLY 156 HA3 0.15 0.21 0.76 -0.51 4.01 4.63 2f0cC1 THR 157 H 0.02 0.20 0.24 -0.55 8.28 8.19 2f0cC1 THR 157 HA -0.22 0.33 1.08 -0.75 4.39 4.83 2f0cC1 THR 157 HB -0.05 -0.04 0.19 -0.04 4.32 4.38 2f0cC1 THR 157 HG23 -0.11 0.03 0.04 -0.04 1.22 1.14 2f0cC1 GLY 158 H -1.11 0.57 0.36 -0.55 8.43 7.69 2f0cC1 GLY 158 HA2 -0.22 0.05 0.44 -0.51 4.01 3.77 2f0cC1 GLY 158 HA3 -0.32 0.04 0.50 -0.51 4.01 3.73 2f0cC1 THR 159 H 0.09 0.23 0.27 -0.55 8.28 8.33 2f0cC1 THR 159 HA 0.10 0.32 1.08 -0.75 4.39 5.14 2f0cC1 THR 159 HB 0.00 0.05 0.07 -0.04 4.32 4.41 2f0cC1 THR 159 HG23 -0.04 -0.02 -0.17 -0.04 1.22 0.95 2f0cC1 TYR 160 H -0.09 0.61 0.38 -0.55 8.29 8.65 2f0cC1 TYR 160 HA 0.09 0.11 0.49 -0.75 4.56 4.50 2f0cC1 TYR 160 HB2 0.06 0.08 0.15 -0.04 3.06 3.31 2f0cC1 TYR 160 HB3 0.10 0.00 -0.00 -0.04 2.98 3.04 2f0cC1 TYR 160 HD2 0.12 0.10 -0.28 -0.04 7.15 7.05 2f0cC1 TYR 160 HE2 0.12 0.06 -0.18 -0.04 6.85 6.80 2f0cC1 PRO 161 HA 0.02 0.16 0.97 -0.51 4.44 5.07 2f0cC1 PRO 161 HB2 0.06 0.07 -0.04 -0.04 2.28 2.34 2f0cC1 PRO 161 HB3 0.05 -0.02 0.12 -0.04 2.02 2.13 2f0cC1 PRO 161 HG2 0.09 0.09 0.07 -0.04 2.03 2.24 2f0cC1 PRO 161 HG3 0.07 0.00 0.08 -0.04 2.03 2.14 2f0cC1 PRO 161 HD2 0.21 0.15 0.23 -0.04 3.68 4.23 2f0cC1 PRO 161 HD3 0.15 0.10 0.21 -0.04 3.65 4.08 2f0cC1 ILE 162 H 0.02 0.67 0.33 -0.55 8.25 8.72 2f0cC1 ILE 162 HA 0.14 0.15 0.46 -0.75 4.18 4.18 2f0cC1 ILE 162 HB -0.01 -0.02 -0.06 -0.04 1.89 1.76 2f0cC1 ILE 162 HG12 -0.03 0.02 -0.08 -0.04 1.49 1.36 2f0cC1 ILE 162 HG13 0.04 0.07 -0.04 -0.04 1.21 1.24 2f0cC1 ILE 162 HG23 -0.01 -0.02 -0.10 -0.04 0.93 0.76 2f0cC1 ILE 162 HD13 0.09 -0.04 -0.43 -0.04 0.88 0.46 2f0cC1 ASP 163 H 0.04 0.06 -0.06 -0.55 8.40 7.89 2f0cC1 ASP 163 HA 0.02 0.25 0.62 -0.75 4.63 4.77 2f0cC1 ASP 163 HB2 0.01 0.03 0.05 -0.04 2.71 2.76 2f0cC1 ASP 163 HB3 0.01 0.04 -0.05 -0.04 2.70 2.66