============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. PHE 40 1.000 23.462 46.116 28.223 -99.200 -91.000 HIS 76 0.900 16.622 37.991 25.756 -99.200 -91.000 TYR 85 0.840 24.365 41.433 12.337 -99.200 -91.000 HIS 92 0.900 3.372 52.246 8.278 -99.200 -91.000 TYR 115 0.840 -0.079 57.976 26.716 -99.200 -91.000 HIS 119 0.900 3.526 53.431 11.687 -99.200 -91.000 TYR 126 0.840 15.940 39.628 11.017 -99.200 -91.000 PHE 127 1.000 20.741 40.895 4.223 -99.200 -91.000 HIS 134 0.900 16.055 34.862 9.515 -99.200 -91.000 TYR 141 0.840 7.536 45.291 25.334 -99.200 -91.000 HIS 148 0.900 13.568 52.866 22.227 -99.200 -91.000 HIS 152 0.900 18.446 54.460 20.156 -99.200 -91.000 PHE 158 1.000 12.453 58.293 25.521 -99.200 -91.000 TYR 159 0.840 15.040 62.679 23.715 -99.200 -91.000 HIS 161 0.900 9.011 59.133 17.299 -99.200 -91.000 PHE 168 1.000 1.373 61.557 30.343 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2os1A1 MET 1 HA 0.03 -0.10 0.17 -0.75 4.52 3.86 2os1A1 MET 1 HB2 0.04 0.04 -0.07 -0.04 2.15 2.12 2os1A1 MET 1 HB3 0.02 -0.04 0.00 -0.04 2.03 1.97 2os1A1 MET 1 HG2 0.02 -0.04 -0.00 -0.04 2.63 2.57 2os1A1 MET 1 HG3 0.04 0.01 -0.29 -0.04 2.56 2.28 2os1A1 MET 1 HE3 0.03 0.02 -0.09 -0.04 2.10 2.02 2os1A1 ILE 2 H 0.05 0.07 0.05 -0.55 8.25 7.87 2os1A1 ILE 2 HA -0.03 0.05 0.61 -0.75 4.18 4.06 2os1A1 ILE 2 HB 0.05 -0.01 0.09 -0.04 1.89 1.98 2os1A1 ILE 2 HG12 -0.07 0.05 -0.05 -0.04 1.49 1.37 2os1A1 ILE 2 HG13 -0.01 -0.07 -0.04 -0.04 1.21 1.05 2os1A1 ILE 2 HG23 -0.41 -0.01 -0.21 -0.04 0.93 0.26 2os1A1 ILE 2 HD13 -0.06 0.03 -0.25 -0.04 0.88 0.56 2os1A1 THR 3 H -0.02 0.11 0.22 -0.55 8.28 8.05 2os1A1 THR 3 HA 0.19 0.26 0.61 -0.75 4.39 4.71 2os1A1 THR 3 HB 0.07 0.02 0.23 -0.04 4.32 4.60 2os1A1 THR 3 HG23 0.07 0.05 -0.24 -0.04 1.22 1.05 2os1A1 MET 4 H 0.09 0.32 0.16 -0.55 8.47 8.49 2os1A1 MET 4 HA -0.00 0.07 0.45 -0.75 4.52 4.28 2os1A1 MET 4 HB2 0.04 0.03 0.14 -0.04 2.15 2.32 2os1A1 MET 4 HB3 0.03 0.04 0.14 -0.04 2.03 2.20 2os1A1 MET 4 HG2 0.11 0.15 0.23 -0.04 2.63 3.07 2os1A1 MET 4 HG3 0.07 0.06 0.17 -0.04 2.56 2.82 2os1A1 MET 4 HE3 0.08 0.01 0.10 -0.04 2.10 2.25 2os1A1 LYS 5 H 0.01 0.04 -0.38 -0.55 8.42 7.53 2os1A1 LYS 5 HA -0.01 0.09 0.36 -0.75 4.32 4.01 2os1A1 LYS 5 HB2 -0.00 0.01 0.05 -0.04 1.87 1.88 2os1A1 LYS 5 HB3 0.00 -0.01 0.07 -0.04 1.79 1.81 2os1A1 LYS 5 HG2 -0.01 -0.15 -0.02 -0.04 1.46 1.25 2os1A1 LYS 5 HG3 -0.02 0.07 -0.27 -0.04 1.46 1.21 2os1A1 LYS 5 HD2 -0.00 -0.01 -0.03 -0.04 1.69 1.60 2os1A1 LYS 5 HD3 0.01 0.00 -0.00 -0.04 1.68 1.64 2os1A1 LYS 5 HE2 -0.01 -0.01 -0.04 -0.04 2.99 2.90 2os1A1 LYS 5 HE3 0.00 -0.01 -0.01 -0.04 2.99 2.93 2os1A1 ASP 6 H -0.05 0.36 -0.27 -0.55 8.40 7.89 2os1A1 ASP 6 HA -0.05 0.11 0.58 -0.75 4.63 4.52 2os1A1 ASP 6 HB2 -0.12 0.07 0.07 -0.04 2.71 2.69 2os1A1 ASP 6 HB3 -0.08 -0.01 0.10 -0.04 2.70 2.67 2os1A1 ILE 7 H -0.08 0.29 -0.27 -0.55 8.25 7.63 2os1A1 ILE 7 HA -0.11 0.31 0.86 -0.75 4.18 4.48 2os1A1 ILE 7 HB -0.07 0.07 0.18 -0.04 1.89 2.03 2os1A1 ILE 7 HG12 -0.28 -0.02 -0.13 -0.04 1.49 1.02 2os1A1 ILE 7 HG13 -0.27 -0.01 -0.10 -0.04 1.21 0.79 2os1A1 ILE 7 HG23 -0.06 0.00 -0.14 -0.04 0.93 0.69 2os1A1 ILE 7 HD13 -0.39 -0.04 -0.08 -0.04 0.88 0.33 2os1A1 ILE 8 H -0.06 0.47 0.28 -0.55 8.25 8.40 2os1A1 ILE 8 HA -0.02 0.07 0.50 -0.75 4.18 3.98 2os1A1 ILE 8 HB -0.01 -0.08 0.10 -0.04 1.89 1.86 2os1A1 ILE 8 HG12 -0.05 0.12 0.02 -0.04 1.49 1.54 2os1A1 ILE 8 HG13 -0.03 -0.05 -0.15 -0.04 1.21 0.94 2os1A1 ILE 8 HG23 -0.03 0.02 -0.06 -0.04 0.93 0.82 2os1A1 ILE 8 HD13 -0.02 -0.01 -0.03 -0.04 0.88 0.78 2os1A1 ARG 9 H 0.00 0.08 0.19 -0.55 8.46 8.19 2os1A1 ARG 9 HA 0.04 0.27 1.17 -0.75 4.34 5.06 2os1A1 ARG 9 HB2 0.02 -0.02 0.06 -0.04 1.90 1.91 2os1A1 ARG 9 HB3 0.04 -0.03 0.18 -0.04 1.80 1.94 2os1A1 ARG 9 HG2 0.01 -0.00 -0.02 -0.04 1.67 1.61 2os1A1 ARG 9 HG3 0.02 -0.05 -0.00 -0.04 1.67 1.59 2os1A1 ARG 9 HD2 0.04 -0.09 -0.10 -0.04 3.22 3.03 2os1A1 ARG 9 HD3 0.02 0.13 -0.36 -0.04 3.22 2.97 2os1A1 GLU 10 H 0.07 0.56 0.34 -0.55 8.60 9.02 2os1A1 GLU 10 HA 0.07 -0.02 0.39 -0.75 4.29 3.97 2os1A1 GLU 10 HB2 0.12 0.01 0.15 -0.04 2.09 2.33 2os1A1 GLU 10 HB3 0.04 -0.03 0.18 -0.04 1.99 2.15 2os1A1 GLU 10 HG2 0.01 0.03 -0.21 -0.04 2.34 2.13 2os1A1 GLU 10 HG3 0.12 -0.01 -0.01 -0.04 2.34 2.40 2os1A1 GLY 11 H 0.04 0.14 0.09 -0.55 8.43 8.15 2os1A1 GLY 11 HA2 0.01 -0.02 0.32 -0.51 4.01 3.81 2os1A1 GLY 11 HA3 0.01 0.21 0.84 -0.51 4.01 4.56 2os1A1 ASN 12 H 0.02 0.60 -0.01 -0.55 8.53 8.58 2os1A1 ASN 12 HA 0.00 0.13 0.60 -0.75 4.76 4.73 2os1A1 ASN 12 HB2 0.00 0.08 0.14 -0.04 2.88 3.06 2os1A1 ASN 12 HB3 0.00 -0.02 0.13 -0.04 2.79 2.86 2os1A1 ASN 12 HD21 -0.01 0.02 0.03 -0.04 7.03 7.03 2os1A1 ASN 12 HD22 -0.01 0.03 0.05 -0.04 7.74 7.77 2os1A1 PRO 13 HA 0.00 0.07 0.33 -0.51 4.44 4.33 2os1A1 PRO 13 HB2 -0.00 0.03 -0.01 -0.04 2.28 2.25 2os1A1 PRO 13 HB3 -0.00 0.06 0.11 -0.04 2.02 2.15 2os1A1 PRO 13 HG2 -0.00 -0.01 0.06 -0.04 2.03 2.03 2os1A1 PRO 13 HG3 -0.00 0.06 0.09 -0.04 2.03 2.13 2os1A1 PRO 13 HD2 -0.00 0.06 0.29 -0.04 3.68 3.98 2os1A1 PRO 13 HD3 0.00 0.28 0.31 -0.04 3.65 4.20 2os1A1 THR 14 H -0.00 0.11 -0.37 -0.55 8.28 7.47 2os1A1 THR 14 HA -0.00 0.06 0.37 -0.75 4.39 4.06 2os1A1 THR 14 HB -0.01 0.05 0.00 -0.04 4.32 4.32 2os1A1 THR 14 HG23 -0.01 -0.01 -0.10 -0.04 1.22 1.05 2os1A1 LEU 15 H 0.00 0.40 -0.28 -0.55 8.37 7.94 2os1A1 LEU 15 HA 0.01 0.07 0.32 -0.75 4.35 4.00 2os1A1 LEU 15 HB2 0.03 0.08 -0.04 -0.04 1.64 1.66 2os1A1 LEU 15 HB3 0.05 -0.04 -0.07 -0.04 1.64 1.54 2os1A1 LEU 15 HG -0.00 -0.03 -0.11 -0.04 1.64 1.47 2os1A1 LEU 15 HD13 0.05 -0.01 -0.30 -0.04 0.93 0.63 2os1A1 LEU 15 HD23 -0.03 0.00 -0.16 -0.04 0.89 0.66 2os1A1 ARG 16 H 0.00 0.33 -0.45 -0.55 8.46 7.79 2os1A1 ARG 16 HA -0.01 0.34 0.96 -0.75 4.34 4.86 2os1A1 ARG 16 HB2 -0.00 -0.06 0.03 -0.04 1.90 1.83 2os1A1 ARG 16 HB3 -0.01 -0.04 0.08 -0.04 1.80 1.79 2os1A1 ARG 16 HG2 -0.01 -0.10 -0.01 -0.04 1.67 1.51 2os1A1 ARG 16 HG3 -0.03 0.15 0.10 -0.04 1.67 1.85 2os1A1 ARG 16 HD2 -0.02 0.25 -0.39 -0.04 3.22 3.01 2os1A1 ARG 16 HD3 0.01 -0.12 -0.28 -0.04 3.22 2.80 2os1A1 ALA 17 H -0.00 0.22 -0.22 -0.55 8.40 7.86 2os1A1 ALA 17 HA -0.00 0.07 0.58 -0.75 4.34 4.24 2os1A1 ALA 17 HB3 -0.00 -0.00 0.02 -0.04 1.41 1.38 2os1A1 VAL 18 H 0.00 0.08 0.07 -0.55 8.24 7.84 2os1A1 VAL 18 HA 0.00 0.19 0.61 -0.75 4.13 4.18 2os1A1 VAL 18 HB 0.00 -0.10 0.13 -0.04 2.12 2.11 2os1A1 VAL 18 HG13 0.01 0.04 -0.04 -0.04 0.97 0.94 2os1A1 VAL 18 HG23 -0.00 0.01 -0.05 -0.04 0.95 0.87 2os1A1 ALA 19 H 0.01 0.54 0.10 -0.55 8.40 8.51 2os1A1 ALA 19 HA 0.01 -0.01 0.23 -0.75 4.34 3.81 2os1A1 ALA 19 HB3 0.01 -0.04 -0.22 -0.04 1.41 1.12 2os1A1 GLU 20 H 0.01 0.58 0.16 -0.55 8.60 8.80 2os1A1 GLU 20 HA 0.01 0.09 0.62 -0.75 4.29 4.26 2os1A1 GLU 20 HB2 0.01 0.02 0.21 -0.04 2.09 2.29 2os1A1 GLU 20 HB3 0.01 0.04 0.10 -0.04 1.99 2.09 2os1A1 GLU 20 HG2 0.00 0.06 0.14 -0.04 2.34 2.51 2os1A1 GLU 20 HG3 0.00 -0.06 0.08 -0.04 2.34 2.32 2os1A1 GLU 21 H 0.01 0.11 0.20 -0.55 8.60 8.37 2os1A1 GLU 21 HA 0.03 0.02 0.49 -0.75 4.29 4.07 2os1A1 GLU 21 HB2 0.02 0.02 0.16 -0.04 2.09 2.25 2os1A1 GLU 21 HB3 0.00 -0.03 0.06 -0.04 1.99 1.98 2os1A1 GLU 21 HG2 -0.00 -0.03 -0.03 -0.04 2.34 2.24 2os1A1 GLU 21 HG3 -0.01 0.16 0.01 -0.04 2.34 2.46 2os1A1 VAL 22 H 0.03 0.11 0.23 -0.55 8.24 8.06 2os1A1 VAL 22 HA 0.01 0.20 0.88 -0.75 4.13 4.47 2os1A1 VAL 22 HB 0.06 -0.03 0.10 -0.04 2.12 2.20 2os1A1 VAL 22 HG13 0.08 -0.01 -0.06 -0.04 0.97 0.94 2os1A1 VAL 22 HG23 0.14 0.03 -0.05 -0.04 0.95 1.02 2os1A1 PRO 23 HA -0.07 0.07 0.41 -0.51 4.44 4.34 2os1A1 PRO 23 HB2 -0.05 0.02 -0.01 -0.04 2.28 2.20 2os1A1 PRO 23 HB3 -0.04 0.05 0.04 -0.04 2.02 2.03 2os1A1 PRO 23 HG2 -0.02 -0.02 0.07 -0.04 2.03 2.02 2os1A1 PRO 23 HG3 -0.02 0.08 0.05 -0.04 2.03 2.09 2os1A1 PRO 23 HD2 -0.01 -0.03 0.21 -0.04 3.68 3.81 2os1A1 PRO 23 HD3 -0.00 0.20 0.23 -0.04 3.65 4.04 2os1A1 VAL 24 H -0.11 0.30 0.12 -0.55 8.24 8.00 2os1A1 VAL 24 HA -0.18 -0.04 0.27 -0.75 4.13 3.43 2os1A1 VAL 24 HB -0.29 -0.01 0.08 -0.04 2.12 1.86 2os1A1 VAL 24 HG13 -0.25 -0.01 -0.03 -0.04 0.97 0.63 2os1A1 VAL 24 HG23 -0.75 0.03 -0.20 -0.04 0.95 -0.01 2os1A1 PRO 25 HA -0.07 0.04 0.33 -0.51 4.44 4.22 2os1A1 PRO 25 HB2 -0.04 0.10 -0.08 -0.04 2.28 2.22 2os1A1 PRO 25 HB3 -0.03 0.04 0.09 -0.04 2.02 2.08 2os1A1 PRO 25 HG2 -0.04 -0.02 -0.06 -0.04 2.03 1.87 2os1A1 PRO 25 HG3 -0.03 0.02 0.04 -0.04 2.03 2.03 2os1A1 PRO 25 HD2 -0.04 0.13 0.27 -0.04 3.68 4.00 2os1A1 PRO 25 HD3 -0.03 0.08 0.27 -0.04 3.65 3.93 2os1A1 ILE 26 H -0.11 0.11 -0.00 -0.55 8.25 7.70 2os1A1 ILE 26 HA -0.15 0.23 0.39 -0.75 4.18 3.90 2os1A1 ILE 26 HB -0.20 0.09 0.01 -0.04 1.89 1.75 2os1A1 ILE 26 HG12 -0.15 -0.13 -0.02 -0.04 1.49 1.16 2os1A1 ILE 26 HG13 -0.41 0.09 -0.05 -0.04 1.21 0.79 2os1A1 ILE 26 HG23 -0.50 0.03 -0.11 -0.04 0.93 0.31 2os1A1 ILE 26 HD13 -0.25 0.04 -0.04 -0.04 0.88 0.59 2os1A1 THR 27 H -0.07 0.12 0.16 -0.55 8.28 7.95 2os1A1 THR 27 HA -0.04 0.17 0.43 -0.75 4.39 4.20 2os1A1 THR 27 HB -0.01 -0.03 0.16 -0.04 4.32 4.39 2os1A1 THR 27 HG23 -0.02 0.07 0.08 -0.04 1.22 1.30 2os1A1 GLU 28 H -0.02 0.20 0.18 -0.55 8.60 8.42 2os1A1 GLU 28 HA -0.01 0.16 0.42 -0.75 4.29 4.10 2os1A1 GLU 28 HB2 -0.01 -0.02 0.13 -0.04 2.09 2.15 2os1A1 GLU 28 HB3 -0.00 0.03 0.05 -0.04 1.99 2.03 2os1A1 GLU 28 HG2 -0.01 0.01 0.09 -0.04 2.34 2.38 2os1A1 GLU 28 HG3 -0.01 0.03 0.04 -0.04 2.34 2.37 2os1A1 GLU 29 H -0.00 0.07 -0.18 -0.55 8.60 7.95 2os1A1 GLU 29 HA 0.01 0.14 0.47 -0.75 4.29 4.16 2os1A1 GLU 29 HB2 0.01 -0.03 0.06 -0.04 2.09 2.09 2os1A1 GLU 29 HB3 0.01 0.08 -0.00 -0.04 1.99 2.04 2os1A1 GLU 29 HG2 0.00 0.09 0.01 -0.04 2.34 2.40 2os1A1 GLU 29 HG3 0.01 0.04 -0.00 -0.04 2.34 2.34 2os1A1 ASP 30 H 0.02 0.07 -0.20 -0.55 8.40 7.74 2os1A1 ASP 30 HA 0.11 0.07 0.37 -0.75 4.63 4.43 2os1A1 ASP 30 HB2 0.01 0.03 0.09 -0.04 2.71 2.79 2os1A1 ASP 30 HB3 0.25 0.05 -0.01 -0.04 2.70 2.95 2os1A1 ARG 31 H 0.01 0.42 -0.40 -0.55 8.46 7.93 2os1A1 ARG 31 HA 0.09 0.02 0.44 -0.75 4.34 4.13 2os1A1 ARG 31 HB2 -0.00 0.07 0.14 -0.04 1.90 2.06 2os1A1 ARG 31 HB3 0.02 -0.05 -0.02 -0.04 1.80 1.71 2os1A1 ARG 31 HG2 -0.07 0.00 0.09 -0.04 1.67 1.65 2os1A1 ARG 31 HG3 -0.14 -0.01 -0.07 -0.04 1.67 1.40 2os1A1 ARG 31 HD2 -0.06 0.11 -0.01 -0.04 3.22 3.21 2os1A1 ARG 31 HD3 -0.04 -0.06 -0.22 -0.04 3.22 2.86 2os1A1 GLN 32 H 0.04 0.49 -0.15 -0.55 8.47 8.31 2os1A1 GLN 32 HA 0.04 -0.00 0.38 -0.75 4.36 4.02 2os1A1 GLN 32 HB2 0.02 0.06 0.16 -0.04 2.15 2.34 2os1A1 GLN 32 HB3 0.02 0.10 0.19 -0.04 2.02 2.29 2os1A1 GLN 32 HG2 0.01 0.00 -0.02 -0.04 2.40 2.36 2os1A1 GLN 32 HG3 0.02 -0.02 -0.17 -0.04 2.39 2.18 2os1A1 GLN 32 HE21 0.02 0.01 0.00 -0.04 6.97 6.96 2os1A1 GLN 32 HE22 0.02 -0.08 0.07 -0.04 7.69 7.66 2os1A1 LEU 33 H 0.06 0.64 -0.13 -0.55 8.37 8.40 2os1A1 LEU 33 HA 0.02 0.04 0.37 -0.75 4.35 4.02 2os1A1 LEU 33 HB2 0.03 0.02 0.05 -0.04 1.64 1.70 2os1A1 LEU 33 HB3 0.07 0.05 0.09 -0.04 1.64 1.81 2os1A1 LEU 33 HG -0.00 -0.03 -0.30 -0.04 1.64 1.26 2os1A1 LEU 33 HD13 -0.01 0.00 -0.02 -0.04 0.93 0.86 2os1A1 LEU 33 HD23 0.01 -0.00 -0.06 -0.04 0.89 0.79 2os1A1 GLY 34 H 0.14 0.52 -0.29 -0.55 8.43 8.26 2os1A1 GLY 34 HA2 -0.01 -0.01 0.30 -0.51 4.01 3.79 2os1A1 GLY 34 HA3 0.13 0.07 0.27 -0.51 4.01 3.96 2os1A1 GLU 35 H 0.07 0.54 -0.18 -0.55 8.60 8.48 2os1A1 GLU 35 HA 0.04 -0.02 0.39 -0.75 4.29 3.94 2os1A1 GLU 35 HB2 0.04 0.17 0.17 -0.04 2.09 2.42 2os1A1 GLU 35 HB3 0.03 -0.05 0.01 -0.04 1.99 1.94 2os1A1 GLU 35 HG2 0.07 0.17 0.08 -0.04 2.34 2.61 2os1A1 GLU 35 HG3 0.04 -0.04 -0.03 -0.04 2.34 2.27 2os1A1 ASP 36 H 0.03 0.63 -0.11 -0.55 8.40 8.40 2os1A1 ASP 36 HA 0.03 -0.00 0.41 -0.75 4.63 4.31 2os1A1 ASP 36 HB2 0.02 0.13 0.12 -0.04 2.71 2.93 2os1A1 ASP 36 HB3 0.02 -0.09 0.03 -0.04 2.70 2.62 2os1A1 MET 37 H 0.02 0.53 -0.31 -0.55 8.47 8.17 2os1A1 MET 37 HA 0.05 0.04 0.40 -0.75 4.52 4.25 2os1A1 MET 37 HB2 -0.01 0.13 0.09 -0.04 2.15 2.32 2os1A1 MET 37 HB3 0.00 -0.08 -0.11 -0.04 2.03 1.80 2os1A1 MET 37 HG2 -0.05 -0.03 -0.13 -0.04 2.63 2.38 2os1A1 MET 37 HG3 -0.02 0.16 -0.06 -0.04 2.56 2.60 2os1A1 MET 37 HE3 -0.06 0.00 -0.32 -0.04 2.10 1.67 2os1A1 LEU 38 H 0.02 0.60 -0.10 -0.55 8.37 8.34 2os1A1 LEU 38 HA -0.01 0.01 0.33 -0.75 4.35 3.93 2os1A1 LEU 38 HB2 -0.00 0.03 0.04 -0.04 1.64 1.66 2os1A1 LEU 38 HB3 -0.01 0.09 0.07 -0.04 1.64 1.75 2os1A1 LEU 38 HG -0.10 -0.02 -0.13 -0.04 1.64 1.35 2os1A1 LEU 38 HD13 0.01 -0.01 -0.08 -0.04 0.93 0.80 2os1A1 LEU 38 HD23 0.01 -0.01 -0.12 -0.04 0.89 0.73 2os1A1 THR 39 H 0.01 0.58 -0.20 -0.55 8.28 8.12 2os1A1 THR 39 HA -0.06 -0.02 0.38 -0.75 4.39 3.94 2os1A1 THR 39 HB 0.03 0.12 0.13 -0.04 4.32 4.56 2os1A1 THR 39 HG23 0.00 -0.01 -0.09 -0.04 1.22 1.08 2os1A1 PHE 40 H 0.15 0.44 -0.35 -0.55 8.34 8.02 2os1A1 PHE 40 HA -0.03 0.05 0.38 -0.75 4.62 4.27 2os1A1 PHE 40 HB2 -0.02 0.00 0.09 -0.04 3.15 3.18 2os1A1 PHE 40 HB3 -0.03 0.15 0.14 -0.04 3.06 3.27 2os1A1 PHE 40 HD2 -0.02 0.13 -0.16 -0.04 7.28 7.20 2os1A1 PHE 40 HE2 -0.01 -0.05 -0.14 -0.04 7.38 7.14 2os1A1 PHE 40 HZ -0.00 0.02 -0.07 -0.04 7.32 7.23 2os1A1 LEU 41 H 0.05 0.44 -0.22 -0.55 8.37 8.10 2os1A1 LEU 41 HA -0.28 0.03 0.33 -0.75 4.35 3.67 2os1A1 LEU 41 HB2 -0.08 0.08 0.03 -0.04 1.64 1.63 2os1A1 LEU 41 HB3 -0.00 0.04 -0.10 -0.04 1.64 1.53 2os1A1 LEU 41 HG 0.16 0.18 -0.13 -0.04 1.64 1.81 2os1A1 LEU 41 HD13 0.05 -0.01 -0.47 -0.04 0.93 0.45 2os1A1 LEU 41 HD23 0.12 -0.00 -0.44 -0.04 0.89 0.53 2os1A1 LYS 42 H -0.23 0.53 -0.20 -0.55 8.42 7.97 2os1A1 LYS 42 HA -0.25 0.02 0.38 -0.75 4.32 3.72 2os1A1 LYS 42 HB2 -0.17 0.09 0.12 -0.04 1.87 1.87 2os1A1 LYS 42 HB3 -0.16 -0.07 -0.01 -0.04 1.79 1.50 2os1A1 LYS 42 HG2 -0.88 -0.05 -0.02 -0.04 1.46 0.48 2os1A1 LYS 42 HG3 -0.50 0.21 0.03 -0.04 1.46 1.15 2os1A1 LYS 42 HD2 -0.18 -0.04 -0.09 -0.04 1.69 1.34 2os1A1 LYS 42 HD3 -0.13 -0.01 -0.10 -0.04 1.68 1.40 2os1A1 LYS 42 HE2 -0.05 -0.03 -0.04 -0.04 2.99 2.83 2os1A1 LYS 42 HE3 -0.09 -0.00 -0.04 -0.04 2.99 2.82 2os1A1 ASN 43 H -0.17 0.69 -0.13 -0.55 8.53 8.38 2os1A1 ASN 43 HA -0.09 -0.08 0.41 -0.75 4.76 4.24 2os1A1 ASN 43 HB2 -0.16 0.17 0.15 -0.04 2.88 3.00 2os1A1 ASN 43 HB3 -0.10 -0.05 -0.09 -0.04 2.79 2.52 2os1A1 ASN 43 HD21 -0.00 -0.09 -0.06 -0.04 7.03 6.84 2os1A1 ASN 43 HD22 0.01 0.05 -0.09 -0.04 7.74 7.67 2os1A1 SER 44 H -0.41 0.65 -0.23 -0.55 8.46 7.92 2os1A1 SER 44 HA -0.21 -0.00 0.26 -0.75 4.49 3.78 2os1A1 SER 44 HB2 -0.30 0.13 -0.04 -0.04 3.95 3.71 2os1A1 SER 44 HB3 -0.97 0.08 0.06 -0.04 3.93 3.06 2os1A1 GLN 45 H -0.12 0.35 -0.49 -0.55 8.47 7.67 2os1A1 GLN 45 HA -0.03 0.08 0.76 -0.75 4.36 4.41 2os1A1 GLN 45 HB2 0.02 0.10 0.12 -0.04 2.15 2.35 2os1A1 GLN 45 HB3 0.03 -0.12 0.09 -0.04 2.02 1.98 2os1A1 GLN 45 HG2 0.01 -0.11 -0.00 -0.04 2.40 2.25 2os1A1 GLN 45 HG3 -0.02 0.12 -0.00 -0.04 2.39 2.45 2os1A1 GLN 45 HE21 0.15 0.38 0.22 -0.04 6.97 7.68 2os1A1 GLN 45 HE22 0.06 0.45 0.26 -0.04 7.69 8.42 2os1A1 ASP 46 H -0.06 0.37 -0.22 -0.55 8.40 7.94 2os1A1 ASP 46 HA -0.02 0.10 0.66 -0.75 4.63 4.62 2os1A1 ASP 46 HB2 -0.03 0.10 0.12 -0.04 2.71 2.86 2os1A1 ASP 46 HB3 -0.05 0.12 0.27 -0.04 2.70 3.00 2os1A1 PRO 47 HA -0.02 0.13 0.34 -0.51 4.44 4.39 2os1A1 PRO 47 HB2 -0.01 -0.05 0.08 -0.04 2.28 2.26 2os1A1 PRO 47 HB3 -0.01 0.04 0.08 -0.04 2.02 2.09 2os1A1 PRO 47 HG2 -0.01 0.01 0.12 -0.04 2.03 2.10 2os1A1 PRO 47 HG3 -0.01 0.11 0.10 -0.04 2.03 2.19 2os1A1 PRO 47 HD2 -0.01 -0.01 0.25 -0.04 3.68 3.87 2os1A1 PRO 47 HD3 -0.01 0.44 0.42 -0.04 3.65 4.46 2os1A1 VAL 48 H -0.01 0.09 -0.19 -0.55 8.24 7.58 2os1A1 VAL 48 HA -0.01 0.12 0.52 -0.75 4.13 4.01 2os1A1 VAL 48 HB -0.01 -0.03 0.09 -0.04 2.12 2.13 2os1A1 VAL 48 HG13 -0.01 0.01 -0.07 -0.04 0.97 0.87 2os1A1 VAL 48 HG23 -0.01 0.01 0.03 -0.04 0.95 0.94 2os1A1 LYS 49 H -0.02 0.07 -0.05 -0.55 8.42 7.87 2os1A1 LYS 49 HA -0.01 0.01 0.48 -0.75 4.32 4.04 2os1A1 LYS 49 HB2 -0.04 0.13 0.19 -0.04 1.87 2.11 2os1A1 LYS 49 HB3 -0.04 0.03 0.01 -0.04 1.79 1.75 2os1A1 LYS 49 HG2 -0.02 -0.11 0.04 -0.04 1.46 1.33 2os1A1 LYS 49 HG3 -0.02 0.01 0.06 -0.04 1.46 1.47 2os1A1 LYS 49 HD2 -0.02 0.04 0.02 -0.04 1.69 1.69 2os1A1 LYS 49 HD3 -0.01 -0.02 0.01 -0.04 1.68 1.62 2os1A1 LYS 49 HE2 -0.01 -0.03 -0.00 -0.04 2.99 2.90 2os1A1 LYS 49 HE3 -0.02 0.02 -0.00 -0.04 2.99 2.95 2os1A1 ALA 50 H -0.03 0.73 -0.17 -0.55 8.40 8.37 2os1A1 ALA 50 HA -0.05 -0.02 0.36 -0.75 4.34 3.88 2os1A1 ALA 50 HB3 -0.04 0.06 -0.03 -0.04 1.41 1.35 2os1A1 GLU 51 H -0.01 0.32 -0.36 -0.55 8.60 8.01 2os1A1 GLU 51 HA -0.00 0.05 0.52 -0.75 4.29 4.11 2os1A1 GLU 51 HB2 -0.00 0.04 0.15 -0.04 2.09 2.24 2os1A1 GLU 51 HB3 -0.00 0.09 0.22 -0.04 1.99 2.26 2os1A1 GLU 51 HG2 -0.00 -0.06 0.01 -0.04 2.34 2.25 2os1A1 GLU 51 HG3 0.00 0.00 -0.17 -0.04 2.34 2.13 2os1A1 GLU 52 H -0.01 0.56 0.06 -0.55 8.60 8.67 2os1A1 GLU 52 HA 0.00 -0.01 0.38 -0.75 4.29 3.90 2os1A1 GLU 52 HB2 -0.00 0.05 0.17 -0.04 2.09 2.26 2os1A1 GLU 52 HB3 0.00 -0.04 0.00 -0.04 1.99 1.92 2os1A1 GLU 52 HG2 -0.00 -0.05 0.04 -0.04 2.34 2.29 2os1A1 GLU 52 HG3 -0.00 0.27 0.01 -0.04 2.34 2.57 2os1A1 LEU 53 H -0.00 0.59 -0.17 -0.55 8.37 8.25 2os1A1 LEU 53 HA 0.02 0.10 0.62 -0.75 4.35 4.34 2os1A1 LEU 53 HB2 0.01 0.08 -0.03 -0.04 1.64 1.66 2os1A1 LEU 53 HB3 0.04 -0.07 0.06 -0.04 1.64 1.64 2os1A1 LEU 53 HG 0.00 -0.02 -0.00 -0.04 1.64 1.57 2os1A1 LEU 53 HD13 0.01 -0.01 -0.06 -0.04 0.93 0.83 2os1A1 LEU 53 HD23 0.02 0.00 -0.09 -0.04 0.89 0.77 2os1A1 GLN 54 H 0.01 0.26 -0.53 -0.55 8.47 7.66 2os1A1 GLN 54 HA 0.01 0.06 0.37 -0.75 4.36 4.05 2os1A1 GLN 54 HB2 0.02 0.09 -0.14 -0.04 2.15 2.08 2os1A1 GLN 54 HB3 0.02 -0.09 0.21 -0.04 2.02 2.12 2os1A1 GLN 54 HG2 0.01 0.14 -0.10 -0.04 2.40 2.41 2os1A1 GLN 54 HG3 0.01 -0.09 -0.01 -0.04 2.39 2.26 2os1A1 GLN 54 HE21 0.01 -0.14 0.07 -0.04 6.97 6.87 2os1A1 GLN 54 HE22 0.01 0.55 0.20 -0.04 7.69 8.40 2os1A1 LEU 55 H 0.01 0.52 0.09 -0.55 8.37 8.45 2os1A1 LEU 55 HA 0.09 0.09 0.86 -0.75 4.35 4.63 2os1A1 LEU 55 HB2 -0.06 -0.02 -0.05 -0.04 1.64 1.47 2os1A1 LEU 55 HB3 -0.02 0.05 -0.02 -0.04 1.64 1.60 2os1A1 LEU 55 HG 0.02 -0.05 -0.28 -0.04 1.64 1.29 2os1A1 LEU 55 HD13 -0.13 0.01 -0.22 -0.04 0.93 0.55 2os1A1 LEU 55 HD23 0.22 0.03 -0.08 -0.04 0.89 1.02 2os1A1 ARG 56 H 0.11 0.11 0.15 -0.55 8.46 8.29 2os1A1 ARG 56 HA 0.03 0.08 0.65 -0.75 4.34 4.35 2os1A1 ARG 56 HB2 0.10 -0.03 0.11 -0.04 1.90 2.05 2os1A1 ARG 56 HB3 0.06 0.04 -0.00 -0.04 1.80 1.86 2os1A1 ARG 56 HG2 0.04 -0.01 0.01 -0.04 1.67 1.67 2os1A1 ARG 56 HG3 0.06 0.02 -0.01 -0.04 1.67 1.70 2os1A1 ARG 56 HD2 0.05 -0.00 -0.00 -0.04 3.22 3.22 2os1A1 ARG 56 HD3 0.07 0.04 0.03 -0.04 3.22 3.32 2os1A1 GLY 57 H 0.00 0.06 0.13 -0.55 8.43 8.07 2os1A1 GLY 57 HA2 -0.07 0.18 0.37 -0.51 4.01 3.98 2os1A1 GLY 57 HA3 -0.02 -0.00 0.29 -0.51 4.01 3.76 2os1A1 GLY 58 H -0.07 0.33 0.15 -0.55 8.43 8.29 2os1A1 GLY 58 HA2 0.02 0.06 0.71 -0.51 4.01 4.29 2os1A1 GLY 58 HA3 0.07 0.06 0.30 -0.51 4.01 3.93 2os1A1 VAL 59 H -0.02 0.10 0.18 -0.55 8.24 7.96 2os1A1 VAL 59 HA 0.03 0.38 0.99 -0.75 4.13 4.77 2os1A1 VAL 59 HB -0.08 -0.03 0.09 -0.04 2.12 2.05 2os1A1 VAL 59 HG13 0.06 0.02 -0.04 -0.04 0.97 0.97 2os1A1 VAL 59 HG23 -0.10 -0.02 -0.04 -0.04 0.95 0.74 2os1A1 GLY 60 H 0.01 0.18 0.13 -0.55 8.43 8.20 2os1A1 GLY 60 HA2 0.00 0.28 0.75 -0.51 4.01 4.53 2os1A1 GLY 60 HA3 -0.03 -0.01 0.33 -0.51 4.01 3.80 2os1A1 LEU 61 H 0.02 0.60 0.35 -0.55 8.37 8.79 2os1A1 LEU 61 HA 0.03 0.06 0.64 -0.75 4.35 4.33 2os1A1 LEU 61 HB2 0.12 0.08 -0.27 -0.04 1.64 1.53 2os1A1 LEU 61 HB3 0.03 -0.05 -0.06 -0.04 1.64 1.52 2os1A1 LEU 61 HG -0.09 0.03 -0.19 -0.04 1.64 1.36 2os1A1 LEU 61 HD13 -0.11 0.00 0.02 -0.04 0.93 0.80 2os1A1 LEU 61 HD23 -0.12 -0.00 -0.12 -0.04 0.89 0.61 2os1A1 ALA 62 H -0.09 0.20 0.21 -0.55 8.40 8.17 2os1A1 ALA 62 HA -0.04 0.25 1.18 -0.75 4.34 4.98 2os1A1 ALA 62 HB3 -0.01 0.02 0.11 -0.04 1.41 1.49 2os1A1 ALA 63 H -0.05 0.70 0.38 -0.55 8.40 8.88 2os1A1 ALA 63 HA -0.06 -0.02 0.36 -0.75 4.34 3.87 2os1A1 ALA 63 HB3 -0.03 0.05 0.22 -0.04 1.41 1.60 2os1A1 PRO 64 HA -0.04 -0.05 0.22 -0.51 4.44 4.07 2os1A1 PRO 64 HB2 -0.06 0.03 -0.08 -0.04 2.28 2.13 2os1A1 PRO 64 HB3 -0.02 0.15 -0.04 -0.04 2.02 2.07 2os1A1 PRO 64 HG2 0.01 0.14 -0.08 -0.04 2.03 2.05 2os1A1 PRO 64 HG3 -0.01 -0.07 0.07 -0.04 2.03 1.98 2os1A1 PRO 64 HD2 -0.04 -0.04 -0.11 -0.04 3.68 3.45 2os1A1 PRO 64 HD3 -0.02 0.26 0.29 -0.04 3.65 4.13 2os1A1 GLN 65 H -0.15 0.47 -0.31 -0.55 8.47 7.93 2os1A1 GLN 65 HA -0.12 0.07 0.44 -0.75 4.36 3.99 2os1A1 GLN 65 HB2 -0.18 0.16 0.14 -0.04 2.15 2.24 2os1A1 GLN 65 HB3 -0.15 -0.00 0.12 -0.04 2.02 1.95 2os1A1 GLN 65 HG2 -0.34 0.02 0.04 -0.04 2.40 2.08 2os1A1 GLN 65 HG3 -0.57 -0.00 0.07 -0.04 2.39 1.85 2os1A1 GLN 65 HE21 0.07 -0.09 0.09 -0.04 6.97 7.00 2os1A1 GLN 65 HE22 -0.05 0.02 0.03 -0.04 7.69 7.65 2os1A1 LEU 66 H -0.09 0.56 -0.42 -0.55 8.37 7.88 2os1A1 LEU 66 HA -0.09 0.45 0.90 -0.75 4.35 4.85 2os1A1 LEU 66 HB2 -0.07 0.04 0.08 -0.04 1.64 1.65 2os1A1 LEU 66 HB3 -0.07 -0.02 0.14 -0.04 1.64 1.65 2os1A1 LEU 66 HG -0.13 -0.05 -0.21 -0.04 1.64 1.21 2os1A1 LEU 66 HD13 -0.09 -0.03 -0.09 -0.04 0.93 0.68 2os1A1 LEU 66 HD23 -0.20 0.03 -0.20 -0.04 0.89 0.48 2os1A1 ASP 67 H -0.05 0.43 -0.28 -0.55 8.40 7.95 2os1A1 ASP 67 HA -0.03 0.02 0.29 -0.75 4.63 4.15 2os1A1 ASP 67 HB2 -0.03 0.00 -0.18 -0.04 2.71 2.46 2os1A1 ASP 67 HB3 -0.03 0.15 0.23 -0.04 2.70 3.02 2os1A1 ILE 68 H -0.04 0.36 -0.21 -0.55 8.25 7.81 2os1A1 ILE 68 HA -0.01 0.12 0.72 -0.75 4.18 4.26 2os1A1 ILE 68 HB -0.03 0.02 0.04 -0.04 1.89 1.89 2os1A1 ILE 68 HG12 -0.01 0.01 -0.10 -0.04 1.49 1.34 2os1A1 ILE 68 HG13 -0.03 0.22 -0.56 -0.04 1.21 0.80 2os1A1 ILE 68 HG23 -0.00 -0.03 -0.14 -0.04 0.93 0.71 2os1A1 ILE 68 HD13 -0.02 -0.03 -0.06 -0.04 0.88 0.73 2os1A1 SER 69 H -0.01 0.21 -0.06 -0.55 8.46 8.05 2os1A1 SER 69 HA -0.01 0.14 0.44 -0.75 4.49 4.30 2os1A1 SER 69 HB2 -0.01 0.01 0.05 -0.04 3.95 3.96 2os1A1 SER 69 HB3 -0.00 -0.02 0.20 -0.04 3.93 4.07 2os1A1 LYS 70 H -0.01 0.56 0.21 -0.55 8.42 8.63 2os1A1 LYS 70 HA 0.01 0.31 0.92 -0.75 4.32 4.80 2os1A1 LYS 70 HB2 0.01 -0.03 -0.08 -0.04 1.87 1.73 2os1A1 LYS 70 HB3 0.03 -0.00 -0.07 -0.04 1.79 1.71 2os1A1 LYS 70 HG2 0.01 0.15 -0.17 -0.04 1.46 1.41 2os1A1 LYS 70 HG3 0.01 -0.13 -0.61 -0.04 1.46 0.69 2os1A1 LYS 70 HD2 0.02 -0.03 -0.13 -0.04 1.69 1.52 2os1A1 LYS 70 HD3 0.03 -0.02 -0.08 -0.04 1.68 1.58 2os1A1 LYS 70 HE2 0.01 0.06 -0.08 -0.04 2.99 2.95 2os1A1 LYS 70 HE3 0.01 -0.00 -0.11 -0.04 2.99 2.85 2os1A1 ARG 71 H 0.03 0.58 0.10 -0.55 8.46 8.61 2os1A1 ARG 71 HA 0.01 0.13 0.58 -0.75 4.34 4.31 2os1A1 ARG 71 HB2 0.05 -0.14 0.26 -0.04 1.90 2.03 2os1A1 ARG 71 HB3 0.04 0.03 0.14 -0.04 1.80 1.97 2os1A1 ARG 71 HG2 0.03 0.07 -0.18 -0.04 1.67 1.54 2os1A1 ARG 71 HG3 0.03 0.12 -0.68 -0.04 1.67 1.10 2os1A1 ARG 71 HD2 0.03 0.12 -0.15 -0.04 3.22 3.18 2os1A1 ARG 71 HD3 0.04 -0.15 -0.04 -0.04 3.22 3.03 2os1A1 ILE 72 H -0.03 0.54 0.22 -0.55 8.25 8.43 2os1A1 ILE 72 HA -0.20 0.29 1.02 -0.75 4.18 4.54 2os1A1 ILE 72 HB -0.08 -0.05 0.07 -0.04 1.89 1.79 2os1A1 ILE 72 HG12 -0.00 0.05 -0.08 -0.04 1.49 1.42 2os1A1 ILE 72 HG13 0.03 -0.12 -0.60 -0.04 1.21 0.47 2os1A1 ILE 72 HG23 -0.41 0.00 -0.16 -0.04 0.93 0.33 2os1A1 ILE 72 HD13 0.11 0.00 -0.07 -0.04 0.88 0.88 2os1A1 ILE 73 H -0.20 0.61 0.36 -0.55 8.25 8.47 2os1A1 ILE 73 HA -0.07 0.23 1.16 -0.75 4.18 4.74 2os1A1 ILE 73 HB -0.03 0.03 0.05 -0.04 1.89 1.89 2os1A1 ILE 73 HG12 -0.09 0.08 0.04 -0.04 1.49 1.48 2os1A1 ILE 73 HG13 -0.13 -0.11 -0.14 -0.04 1.21 0.79 2os1A1 ILE 73 HG23 -0.01 -0.02 -0.25 -0.04 0.93 0.61 2os1A1 ILE 73 HD13 -0.05 -0.00 -0.14 -0.04 0.88 0.64 2os1A1 ALA 74 H -0.05 0.76 0.42 -0.55 8.40 8.99 2os1A1 ALA 74 HA -0.09 0.20 1.11 -0.75 4.34 4.81 2os1A1 ALA 74 HB3 -0.02 0.00 -0.08 -0.04 1.41 1.27 2os1A1 VAL 75 H -0.05 0.64 0.35 -0.55 8.24 8.63 2os1A1 VAL 75 HA -0.02 0.23 1.00 -0.75 4.13 4.59 2os1A1 VAL 75 HB -0.08 0.03 0.02 -0.04 2.12 2.05 2os1A1 VAL 75 HG13 -0.07 -0.02 -0.25 -0.04 0.97 0.58 2os1A1 VAL 75 HG23 -0.09 -0.01 -0.11 -0.04 0.95 0.69 2os1A1 HIS 76 H 0.02 0.74 0.09 -0.55 8.41 8.71 2os1A1 HIS 76 HA -0.04 0.15 0.83 -0.75 4.63 4.81 2os1A1 HIS 76 HB2 -0.03 -0.04 -0.21 -0.04 3.26 2.95 2os1A1 HIS 76 HB3 -0.04 0.04 0.10 -0.04 3.20 3.26 2os1A1 HIS 76 HD2 -0.04 0.06 -0.10 -0.04 6.97 6.84 2os1A1 HIS 76 HE1 -0.01 -0.02 -0.07 -0.04 7.75 7.60 2os1A1 VAL 77 H -0.14 0.65 0.21 -0.55 8.24 8.42 2os1A1 VAL 77 HA -0.09 0.17 0.86 -0.75 4.13 4.31 2os1A1 VAL 77 HB -0.11 -0.10 0.16 -0.04 2.12 2.04 2os1A1 VAL 77 HG13 -0.13 0.03 -0.10 -0.04 0.97 0.73 2os1A1 VAL 77 HG23 -0.21 -0.01 -0.01 -0.04 0.95 0.67 2os1A1 PRO 78 HA -0.10 0.14 0.34 -0.51 4.44 4.31 2os1A1 PRO 78 HB2 -0.01 0.02 0.10 -0.04 2.28 2.35 2os1A1 PRO 78 HB3 -0.04 0.08 0.06 -0.04 2.02 2.07 2os1A1 PRO 78 HG2 0.08 -0.02 0.09 -0.04 2.03 2.13 2os1A1 PRO 78 HG3 0.03 0.07 0.08 -0.04 2.03 2.17 2os1A1 PRO 78 HD2 0.08 0.01 0.26 -0.04 3.68 3.99 2os1A1 PRO 78 HD3 -0.03 0.34 0.22 -0.04 3.65 4.14 2os1A1 SER 88 HA -0.03 -0.04 1.05 -0.75 4.49 4.71 2os1A1 SER 88 HB2 -0.10 0.31 -0.22 -0.04 3.95 3.90 2os1A1 SER 88 HB3 -0.05 -0.10 0.88 -0.04 3.93 4.61 2os1A1 LEU 89 H -0.09 0.41 -0.05 -0.55 8.37 8.10 2os1A1 LEU 89 HA -0.03 0.15 0.78 -0.75 4.35 4.50 2os1A1 LEU 89 HB2 -0.04 0.05 -0.14 -0.04 1.64 1.46 2os1A1 LEU 89 HB3 -0.08 -0.08 0.08 -0.04 1.64 1.53 2os1A1 LEU 89 HG -0.07 -0.02 -0.29 -0.04 1.64 1.23 2os1A1 LEU 89 HD13 -0.03 0.00 -0.06 -0.04 0.93 0.80 2os1A1 LEU 89 HD23 -0.07 -0.02 -0.10 -0.04 0.89 0.67 2os1A1 SER 90 H -0.01 0.23 -0.02 -0.55 8.46 8.11 2os1A1 SER 90 HA 0.06 0.40 0.89 -0.75 4.49 5.08 2os1A1 SER 90 HB2 0.03 0.01 -0.18 -0.04 3.95 3.77 2os1A1 SER 90 HB3 0.07 -0.03 0.10 -0.04 3.93 4.03 2os1A1 THR 91 H -0.02 0.52 0.30 -0.55 8.28 8.53 2os1A1 THR 91 HA 0.00 0.09 0.52 -0.75 4.39 4.25 2os1A1 THR 91 HB -0.03 0.10 -0.29 -0.04 4.32 4.06 2os1A1 THR 91 HG23 -0.21 -0.01 -0.33 -0.04 1.22 0.63 2os1A1 VAL 92 H -0.00 0.17 0.20 -0.55 8.24 8.06 2os1A1 VAL 92 HA -0.13 0.26 1.13 -0.75 4.13 4.64 2os1A1 VAL 92 HB 0.11 -0.10 0.12 -0.04 2.12 2.21 2os1A1 VAL 92 HG13 -0.38 0.01 -0.12 -0.04 0.97 0.44 2os1A1 VAL 92 HG23 0.00 -0.02 -0.13 -0.04 0.95 0.76 2os1A1 MET 93 H -0.25 0.71 0.31 -0.55 8.47 8.70 2os1A1 MET 93 HA -0.06 0.21 0.96 -0.75 4.52 4.87 2os1A1 MET 93 HB2 -0.21 -0.03 0.07 -0.04 2.15 1.93 2os1A1 MET 93 HB3 -0.20 0.03 -0.09 -0.04 2.03 1.73 2os1A1 MET 93 HG2 -1.61 0.02 -0.27 -0.04 2.63 0.74 2os1A1 MET 93 HG3 -0.47 -0.03 -0.30 -0.04 2.56 1.72 2os1A1 MET 93 HE3 -0.33 -0.01 -0.19 -0.04 2.10 1.53 2os1A1 TYR 94 H 0.47 0.68 0.31 -0.55 8.29 9.20 2os1A1 TYR 94 HA 0.09 0.19 1.02 -0.75 4.56 5.10 2os1A1 TYR 94 HB2 0.21 0.04 0.11 -0.04 3.06 3.39 2os1A1 TYR 94 HB3 0.08 0.01 0.03 -0.04 2.98 3.06 2os1A1 TYR 94 HD2 0.09 0.13 -0.11 -0.04 7.15 7.22 2os1A1 TYR 94 HE2 0.04 -0.04 -0.16 -0.04 6.85 6.66 2os1A1 ASN 95 H 0.13 0.65 0.36 -0.55 8.53 9.13 2os1A1 ASN 95 HA 0.12 0.04 0.41 -0.75 4.76 4.58 2os1A1 ASN 95 HB2 0.32 0.07 0.02 -0.04 2.88 3.25 2os1A1 ASN 95 HB3 0.18 0.00 0.20 -0.04 2.79 3.13 2os1A1 ASN 95 HD21 -0.08 0.48 0.03 -0.04 7.03 7.41 2os1A1 ASN 95 HD22 -0.22 -0.04 -0.10 -0.04 7.74 7.34 2os1A1 PRO 96 HA 0.20 0.30 0.64 -0.51 4.44 5.08 2os1A1 PRO 96 HB2 0.05 -0.01 -0.14 -0.04 2.28 2.14 2os1A1 PRO 96 HB3 0.05 -0.07 -0.11 -0.04 2.02 1.85 2os1A1 PRO 96 HG2 0.04 0.04 -0.04 -0.04 2.03 2.03 2os1A1 PRO 96 HG3 -0.00 -0.01 -0.11 -0.04 2.03 1.86 2os1A1 PRO 96 HD2 0.06 0.07 0.04 -0.04 3.68 3.81 2os1A1 PRO 96 HD3 0.06 0.11 -0.43 -0.04 3.65 3.36 2os1A1 LYS 97 H 0.12 0.53 0.37 -0.55 8.42 8.89 2os1A1 LYS 97 HA 0.07 0.11 0.68 -0.75 4.32 4.42 2os1A1 LYS 97 HB2 0.06 0.01 -0.03 -0.04 1.87 1.88 2os1A1 LYS 97 HB3 0.08 0.12 -0.15 -0.04 1.79 1.80 2os1A1 LYS 97 HG2 0.10 0.16 0.06 -0.04 1.46 1.75 2os1A1 LYS 97 HG3 0.06 -0.14 -0.03 -0.04 1.46 1.32 2os1A1 LYS 97 HD2 0.10 0.06 -0.07 -0.04 1.69 1.74 2os1A1 LYS 97 HD3 0.07 -0.06 -0.05 -0.04 1.68 1.61 2os1A1 LYS 97 HE2 0.05 -0.03 -0.10 -0.04 2.99 2.86 2os1A1 LYS 97 HE3 0.06 0.04 -0.07 -0.04 2.99 2.98 2os1A1 ILE 98 H 0.06 0.20 0.09 -0.55 8.25 8.06 2os1A1 ILE 98 HA 0.07 0.15 0.83 -0.75 4.18 4.48 2os1A1 ILE 98 HB 0.08 0.02 0.13 -0.04 1.89 2.08 2os1A1 ILE 98 HG12 0.06 -0.01 -0.12 -0.04 1.49 1.37 2os1A1 ILE 98 HG13 0.05 -0.04 -0.09 -0.04 1.21 1.10 2os1A1 ILE 98 HG23 0.11 -0.03 -0.12 -0.04 0.93 0.85 2os1A1 ILE 98 HD13 0.05 0.01 -0.08 -0.04 0.88 0.82 2os1A1 LEU 99 H 0.05 0.56 0.41 -0.55 8.37 8.85 2os1A1 LEU 99 HA 0.03 0.10 0.55 -0.75 4.35 4.29 2os1A1 LEU 99 HB2 0.02 -0.03 0.05 -0.04 1.64 1.64 2os1A1 LEU 99 HB3 0.01 -0.02 0.04 -0.04 1.64 1.62 2os1A1 LEU 99 HG 0.03 0.03 0.02 -0.04 1.64 1.68 2os1A1 LEU 99 HD13 -0.00 -0.01 -0.07 -0.04 0.93 0.80 2os1A1 LEU 99 HD23 0.03 0.00 -0.10 -0.04 0.89 0.78 2os1A1 SER 100 H 0.04 0.28 0.20 -0.55 8.46 8.43 2os1A1 SER 100 HA -0.04 0.16 0.49 -0.75 4.49 4.35 2os1A1 SER 100 HB2 -0.09 0.01 0.09 -0.04 3.95 3.92 2os1A1 SER 100 HB3 -0.04 0.15 -0.15 -0.04 3.93 3.85 2os1A1 HIS 101 H -0.37 0.30 0.19 -0.55 8.41 7.98 2os1A1 HIS 101 HA -0.05 0.15 0.78 -0.75 4.63 4.76 2os1A1 HIS 101 HB2 -0.18 0.05 0.20 -0.04 3.26 3.29 2os1A1 HIS 101 HB3 -0.06 -0.01 -0.16 -0.04 3.20 2.93 2os1A1 HIS 101 HD2 -0.08 -0.02 -0.16 -0.04 6.97 6.67 2os1A1 HIS 101 HE1 -0.25 -0.02 -0.08 -0.04 7.75 7.36 2os1A1 SER 102 H 0.07 0.50 0.28 -0.55 8.46 8.77 2os1A1 SER 102 HA -0.04 0.04 0.62 -0.75 4.49 4.36 2os1A1 SER 102 HB2 0.02 -0.12 0.17 -0.04 3.95 3.99 2os1A1 SER 102 HB3 0.02 0.01 0.15 -0.04 3.93 4.07 2os1A1 VAL 103 H -0.02 0.09 0.20 -0.55 8.24 7.96 2os1A1 VAL 103 HA 0.05 0.17 0.72 -0.75 4.13 4.32 2os1A1 VAL 103 HB 0.00 -0.06 0.13 -0.04 2.12 2.15 2os1A1 VAL 103 HG13 0.03 0.01 -0.07 -0.04 0.97 0.89 2os1A1 VAL 103 HG23 -0.03 0.01 0.06 -0.04 0.95 0.95 2os1A1 GLN 104 H 0.03 -0.03 0.04 -0.55 8.47 7.96 2os1A1 GLN 104 HA 0.03 0.10 0.45 -0.75 4.36 4.19 2os1A1 GLN 104 HB2 0.02 0.01 0.13 -0.04 2.15 2.27 2os1A1 GLN 104 HB3 0.03 -0.13 0.12 -0.04 2.02 2.00 2os1A1 GLN 104 HG2 0.02 0.04 -0.22 -0.04 2.40 2.21 2os1A1 GLN 104 HG3 0.01 0.15 0.07 -0.04 2.39 2.59 2os1A1 GLN 104 HE21 0.01 0.01 -0.02 -0.04 6.97 6.94 2os1A1 GLN 104 HE22 0.02 -0.10 -0.03 -0.04 7.69 7.54 2os1A1 ASP 105 H 0.03 0.15 0.20 -0.55 8.40 8.23 2os1A1 ASP 105 HA 0.07 0.07 1.03 -0.75 4.63 5.04 2os1A1 ASP 105 HB2 0.01 -0.07 0.04 -0.04 2.71 2.64 2os1A1 ASP 105 HB3 -0.02 0.07 0.09 -0.04 2.70 2.79 2os1A1 VAL 106 H -0.03 0.85 0.37 -0.55 8.24 8.88 2os1A1 VAL 106 HA -0.04 0.20 0.78 -0.75 4.13 4.32 2os1A1 VAL 106 HB 0.00 -0.02 -0.27 -0.04 2.12 1.80 2os1A1 VAL 106 HG13 0.01 0.00 -0.40 -0.04 0.97 0.54 2os1A1 VAL 106 HG23 -0.01 -0.03 -0.22 -0.04 0.95 0.65 2os1A1 CYS 107 H -0.06 0.41 0.21 -0.55 8.50 8.51 2os1A1 CYS 107 HA -0.02 0.19 0.62 -0.75 4.58 4.61 2os1A1 CYS 107 HB2 -0.02 -0.04 -0.05 -0.04 2.97 2.82 2os1A1 CYS 107 HB3 -0.08 0.02 -0.30 -0.04 2.97 2.57 2os1A1 LEU 108 H 0.04 0.23 0.16 -0.55 8.37 8.25 2os1A1 LEU 108 HA 0.00 0.08 0.77 -0.75 4.35 4.44 2os1A1 LEU 108 HB2 0.06 0.11 0.15 -0.04 1.64 1.92 2os1A1 LEU 108 HB3 0.02 -0.05 0.10 -0.04 1.64 1.67 2os1A1 LEU 108 HG 0.08 -0.01 0.03 -0.04 1.64 1.69 2os1A1 LEU 108 HD13 0.11 0.02 0.02 -0.04 0.93 1.05 2os1A1 LEU 108 HD23 0.04 -0.03 -0.03 -0.04 0.89 0.83 2os1A1 GLY 109 H 0.01 0.72 0.39 -0.55 8.43 9.00 2os1A1 GLY 109 HA2 0.17 0.09 0.34 -0.51 4.01 4.10 2os1A1 GLY 109 HA3 0.09 0.01 0.32 -0.51 4.01 3.91 2os1A1 GLU 110 H 0.07 0.03 -0.17 -0.55 8.60 7.99 2os1A1 GLU 110 HA 0.12 0.16 0.65 -0.75 4.29 4.47 2os1A1 GLU 110 HB2 0.04 0.05 0.10 -0.04 2.09 2.24 2os1A1 GLU 110 HB3 0.04 -0.04 0.05 -0.04 1.99 2.00 2os1A1 GLU 110 HG2 0.02 0.18 -0.06 -0.04 2.34 2.44 2os1A1 GLU 110 HG3 -0.01 0.01 -0.00 -0.04 2.34 2.30 2os1A1 GLY 111 H 0.18 0.36 -0.50 -0.55 8.43 7.92 2os1A1 GLY 111 HA2 0.13 0.05 0.34 -0.51 4.01 4.02 2os1A1 GLY 111 HA3 0.07 0.14 0.55 -0.51 4.01 4.26 2os1A1 GLU 112 H -0.03 0.30 0.22 -0.55 8.60 8.55 2os1A1 GLU 112 HA -0.13 0.11 0.87 -0.75 4.29 4.39 2os1A1 GLU 112 HB2 -0.28 -0.01 0.03 -0.04 2.09 1.78 2os1A1 GLU 112 HB3 -0.27 0.07 0.12 -0.04 1.99 1.87 2os1A1 GLU 112 HG2 0.01 0.03 -0.03 -0.04 2.34 2.31 2os1A1 GLU 112 HG3 0.04 -0.09 -0.25 -0.04 2.34 2.01 2os1A1 GLY 113 H -0.24 0.15 0.17 -0.55 8.43 7.96 2os1A1 GLY 113 HA2 -0.51 0.17 0.44 -0.51 4.01 3.60 2os1A1 GLY 113 HA3 -0.13 0.06 0.45 -0.51 4.01 3.88 2os1A1 CYS 114 H 0.08 0.38 0.22 -0.55 8.50 8.63 2os1A1 CYS 114 HA 0.15 0.11 0.86 -0.75 4.58 4.94 2os1A1 CYS 114 HB2 0.43 0.06 -0.43 -0.04 2.97 2.99 2os1A1 CYS 114 HB3 0.45 -0.01 0.03 -0.04 2.97 3.40 2os1A1 LEU 115 H 0.14 0.19 0.20 -0.55 8.37 8.35 2os1A1 LEU 115 HA 0.09 0.12 0.29 -0.75 4.35 4.10 2os1A1 LEU 115 HB2 0.06 -0.03 0.11 -0.04 1.64 1.74 2os1A1 LEU 115 HB3 0.07 0.08 0.09 -0.04 1.64 1.84 2os1A1 LEU 115 HG 0.11 -0.09 0.09 -0.04 1.64 1.71 2os1A1 LEU 115 HD13 0.23 -0.00 0.01 -0.04 0.93 1.13 2os1A1 LEU 115 HD23 0.15 0.04 -0.12 -0.04 0.89 0.92 2os1A1 SER 116 H 0.15 -0.07 -0.41 -0.55 8.46 7.59 2os1A1 SER 116 HA 0.05 0.36 0.72 -0.75 4.49 4.87 2os1A1 SER 116 HB2 0.14 -0.12 -0.01 -0.04 3.95 3.93 2os1A1 SER 116 HB3 0.07 -0.09 0.14 -0.04 3.93 4.00 2os1A1 VAL 117 H 0.17 0.51 -0.22 -0.55 8.24 8.15 2os1A1 VAL 117 HA 0.13 0.06 0.99 -0.75 4.13 4.56 2os1A1 VAL 117 HB 0.36 0.02 0.24 -0.04 2.12 2.71 2os1A1 VAL 117 HG13 0.20 -0.01 -0.03 -0.04 0.97 1.09 2os1A1 VAL 117 HG23 0.40 -0.04 -0.11 -0.04 0.95 1.16 2os1A1 ASP 118 H 0.06 0.16 0.06 -0.55 8.40 8.14 2os1A1 ASP 118 HA 0.06 0.21 0.76 -0.75 4.63 4.91 2os1A1 ASP 118 HB2 0.03 -0.01 0.16 -0.04 2.71 2.84 2os1A1 ASP 118 HB3 0.03 -0.00 0.19 -0.04 2.70 2.88 2os1A1 ARG 119 H 0.09 0.40 -0.39 -0.55 8.46 8.00 2os1A1 ARG 119 HA 0.03 0.10 0.53 -0.75 4.34 4.24 2os1A1 ARG 119 HB2 -0.00 0.05 0.02 -0.04 1.90 1.92 2os1A1 ARG 119 HB3 -0.00 0.10 -0.11 -0.04 1.80 1.74 2os1A1 ARG 119 HG2 -0.01 -0.12 -0.18 -0.04 1.67 1.32 2os1A1 ARG 119 HG3 0.01 -0.01 -0.28 -0.04 1.67 1.35 2os1A1 ARG 119 HD2 -0.09 0.08 -0.14 -0.04 3.22 3.02 2os1A1 ARG 119 HD3 -0.08 0.01 -0.09 -0.04 3.22 3.02 2os1A1 ASP 120 H 0.04 0.16 0.12 -0.55 8.40 8.17 2os1A1 ASP 120 HA 0.11 0.13 0.78 -0.75 4.63 4.90 2os1A1 ASP 120 HB2 0.05 -0.02 0.15 -0.04 2.71 2.85 2os1A1 ASP 120 HB3 0.07 0.03 -0.02 -0.04 2.70 2.74 2os1A1 VAL 121 H 0.22 0.23 0.10 -0.55 8.24 8.24 2os1A1 VAL 121 HA 0.05 0.21 0.92 -0.75 4.13 4.56 2os1A1 VAL 121 HB 0.34 -0.03 0.16 -0.04 2.12 2.55 2os1A1 VAL 121 HG13 -0.03 0.02 -0.05 -0.04 0.97 0.87 2os1A1 VAL 121 HG23 -0.05 0.01 -0.21 -0.04 0.95 0.66 2os1A1 PRO 122 HA 0.06 0.06 0.45 -0.51 4.44 4.50 2os1A1 PRO 122 HB2 0.10 0.01 -0.02 -0.04 2.28 2.33 2os1A1 PRO 122 HB3 0.27 -0.00 0.04 -0.04 2.02 2.28 2os1A1 PRO 122 HG2 0.09 0.03 0.01 -0.04 2.03 2.11 2os1A1 PRO 122 HG3 0.09 0.01 -0.05 -0.04 2.03 2.04 2os1A1 PRO 122 HD2 0.04 0.10 0.14 -0.04 3.68 3.92 2os1A1 PRO 122 HD3 0.06 0.30 -0.31 -0.04 3.65 3.66 2os1A1 GLY 123 H -0.33 0.09 0.08 -0.55 8.43 7.71 2os1A1 GLY 123 HA2 -1.34 -0.01 0.22 -0.51 4.01 2.37 2os1A1 GLY 123 HA3 -0.37 0.22 0.88 -0.51 4.01 4.23 2os1A1 TYR 124 H -0.41 0.62 0.33 -0.55 8.29 8.27 2os1A1 TYR 124 HA -0.04 0.04 0.64 -0.75 4.56 4.44 2os1A1 TYR 124 HB2 -0.06 0.10 0.16 -0.04 3.06 3.22 2os1A1 TYR 124 HB3 -0.02 -0.06 -0.09 -0.04 2.98 2.77 2os1A1 TYR 124 HD2 0.03 0.12 -0.15 -0.04 7.15 7.10 2os1A1 TYR 124 HE2 0.16 0.17 -0.01 -0.04 6.85 7.13 2os1A1 VAL 125 H 0.15 0.13 0.12 -0.55 8.24 8.08 2os1A1 VAL 125 HA 0.09 0.22 0.69 -0.75 4.13 4.38 2os1A1 VAL 125 HB 0.09 -0.11 0.16 -0.04 2.12 2.22 2os1A1 VAL 125 HG13 0.08 0.01 -0.11 -0.04 0.97 0.91 2os1A1 VAL 125 HG23 0.26 0.03 -0.15 -0.04 0.95 1.04 2os1A1 VAL 126 H -0.01 0.26 -0.00 -0.55 8.24 7.94 2os1A1 VAL 126 HA -0.06 0.20 0.69 -0.75 4.13 4.21 2os1A1 VAL 126 HB -0.05 0.02 0.10 -0.04 2.12 2.15 2os1A1 VAL 126 HG13 -0.05 -0.01 -0.13 -0.04 0.97 0.73 2os1A1 VAL 126 HG23 0.00 0.00 -0.11 -0.04 0.95 0.81 2os1A1 ARG 127 H -0.09 0.71 0.42 -0.55 8.46 8.94 2os1A1 ARG 127 HA -0.36 0.19 0.79 -0.75 4.34 4.20 2os1A1 ARG 127 HB2 -0.09 -0.02 -0.08 -0.04 1.90 1.67 2os1A1 ARG 127 HB3 -0.17 -0.05 0.05 -0.04 1.80 1.59 2os1A1 ARG 127 HG2 -0.28 0.07 -0.24 -0.04 1.67 1.18 2os1A1 ARG 127 HG3 -0.14 0.05 -0.53 -0.04 1.67 1.02 2os1A1 ARG 127 HD2 -0.03 -0.09 -0.06 -0.04 3.22 3.01 2os1A1 ARG 127 HD3 -0.07 -0.02 -0.08 -0.04 3.22 3.01 2os1A1 HIS 128 H -0.32 0.14 0.08 -0.55 8.41 7.76 2os1A1 HIS 128 HA -0.02 0.17 0.59 -0.75 4.63 4.62 2os1A1 HIS 128 HB2 -0.05 -0.03 0.04 -0.04 3.26 3.18 2os1A1 HIS 128 HB3 0.04 -0.00 0.09 -0.04 3.20 3.28 2os1A1 HIS 128 HD2 -0.35 -0.03 -0.02 -0.04 6.97 6.52 2os1A1 HIS 128 HE1 -0.18 0.00 -0.06 -0.04 7.75 7.47 2os1A1 ASN 129 H 0.10 0.66 0.29 -0.55 8.53 9.03 2os1A1 ASN 129 HA 0.04 0.05 0.38 -0.75 4.76 4.47 2os1A1 ASN 129 HB2 0.03 0.07 -0.25 -0.04 2.88 2.69 2os1A1 ASN 129 HB3 0.04 0.03 -0.01 -0.04 2.79 2.81 2os1A1 ASN 129 HD21 0.02 -0.04 0.05 -0.04 7.03 7.02 2os1A1 ASN 129 HD22 0.02 0.06 0.03 -0.04 7.74 7.81 2os1A1 LYS 130 H 0.09 0.13 -0.01 -0.55 8.42 8.07 2os1A1 LYS 130 HA 0.04 0.33 1.08 -0.75 4.32 5.03 2os1A1 LYS 130 HB2 0.03 -0.12 0.07 -0.04 1.87 1.81 2os1A1 LYS 130 HB3 0.03 0.09 0.00 -0.04 1.79 1.86 2os1A1 LYS 130 HG2 0.03 0.07 -0.04 -0.04 1.46 1.47 2os1A1 LYS 130 HG3 0.03 -0.12 -0.32 -0.04 1.46 1.02 2os1A1 LYS 130 HD2 0.01 -0.04 -0.04 -0.04 1.69 1.58 2os1A1 LYS 130 HD3 0.01 0.05 -0.07 -0.04 1.68 1.63 2os1A1 LYS 130 HE2 0.01 0.00 -0.06 -0.04 2.99 2.91 2os1A1 LYS 130 HE3 0.01 -0.03 -0.06 -0.04 2.99 2.88 2os1A1 ILE 131 H 0.04 0.67 0.31 -0.55 8.25 8.72 2os1A1 ILE 131 HA 0.08 0.23 0.95 -0.75 4.18 4.68 2os1A1 ILE 131 HB 0.08 0.05 -0.00 -0.04 1.89 1.98 2os1A1 ILE 131 HG12 0.04 -0.04 -0.10 -0.04 1.49 1.35 2os1A1 ILE 131 HG13 0.04 -0.07 -0.18 -0.04 1.21 0.97 2os1A1 ILE 131 HG23 0.11 -0.00 -0.26 -0.04 0.93 0.73 2os1A1 ILE 131 HD13 0.03 0.02 -0.14 -0.04 0.88 0.74 2os1A1 THR 132 H 0.05 0.62 0.32 -0.55 8.28 8.72 2os1A1 THR 132 HA 0.04 0.26 1.05 -0.75 4.39 4.98 2os1A1 THR 132 HB 0.02 -0.10 0.16 -0.04 4.32 4.36 2os1A1 THR 132 HG23 0.01 0.01 -0.17 -0.04 1.22 1.03 2os1A1 VAL 133 H 0.07 0.75 0.34 -0.55 8.24 8.85 2os1A1 VAL 133 HA 0.07 0.28 1.26 -0.75 4.13 4.99 2os1A1 VAL 133 HB 0.12 -0.05 0.01 -0.04 2.12 2.16 2os1A1 VAL 133 HG13 0.14 0.01 -0.26 -0.04 0.97 0.82 2os1A1 VAL 133 HG23 0.05 -0.01 -0.30 -0.04 0.95 0.65 2os1A1 SER 134 H 0.08 0.61 0.42 -0.55 8.46 9.03 2os1A1 SER 134 HA -0.03 0.35 1.19 -0.75 4.49 5.25 2os1A1 SER 134 HB2 -0.09 0.03 0.13 -0.04 3.95 3.98 2os1A1 SER 134 HB3 -0.01 -0.08 0.07 -0.04 3.93 3.86 2os1A1 TYR 135 H -0.29 0.53 0.41 -0.55 8.29 8.39 2os1A1 TYR 135 HA 0.10 0.30 0.46 -0.75 4.56 4.68 2os1A1 TYR 135 HB2 0.12 0.01 -0.01 -0.04 3.06 3.13 2os1A1 TYR 135 HB3 0.06 0.00 -0.30 -0.04 2.98 2.70 2os1A1 TYR 135 HD2 0.09 0.10 -0.47 -0.04 7.15 6.82 2os1A1 TYR 135 HE2 -0.07 -0.03 -0.18 -0.04 6.85 6.52 2os1A1 PHE 136 H 0.58 0.70 0.28 -0.55 8.34 9.34 2os1A1 PHE 136 HA 0.09 0.20 0.74 -0.75 4.62 4.90 2os1A1 PHE 136 HB2 0.19 0.03 0.10 -0.04 3.15 3.43 2os1A1 PHE 136 HB3 0.08 -0.08 -0.06 -0.04 3.06 2.97 2os1A1 PHE 136 HD2 0.07 0.17 -0.14 -0.04 7.28 7.34 2os1A1 PHE 136 HE2 0.02 0.02 -0.04 -0.04 7.38 7.35 2os1A1 PHE 136 HZ 0.01 -0.02 -0.04 -0.04 7.32 7.23 2os1A1 ASP 137 H 0.31 0.53 0.22 -0.55 8.40 8.91 2os1A1 ASP 137 HA 0.47 0.34 0.80 -0.75 4.63 5.47 2os1A1 ASP 137 HB2 0.21 -0.10 0.26 -0.04 2.71 3.04 2os1A1 ASP 137 HB3 0.22 0.11 0.11 -0.04 2.70 3.11 2os1A1 MET 138 H 0.21 0.19 0.20 -0.55 8.47 8.52 2os1A1 MET 138 HA -0.22 0.13 0.36 -0.75 4.52 4.04 2os1A1 MET 138 HB2 0.09 -0.02 0.12 -0.04 2.15 2.31 2os1A1 MET 138 HB3 0.03 0.04 0.04 -0.04 2.03 2.10 2os1A1 MET 138 HG2 0.30 0.04 0.07 -0.04 2.63 2.99 2os1A1 MET 138 HG3 0.25 -0.01 0.11 -0.04 2.56 2.87 2os1A1 MET 138 HE3 0.11 -0.02 -0.10 -0.04 2.10 2.05 2os1A1 ALA 139 H 0.08 0.00 -0.33 -0.55 8.40 7.61 2os1A1 ALA 139 HA -0.00 0.23 0.75 -0.75 4.34 4.57 2os1A1 ALA 139 HB3 0.05 0.00 0.06 -0.04 1.41 1.48 2os1A1 GLY 140 H 0.06 0.54 -0.30 -0.55 8.43 8.18 2os1A1 GLY 140 HA2 0.14 0.09 0.28 -0.51 4.01 4.00 2os1A1 GLY 140 HA3 0.05 0.06 0.58 -0.51 4.01 4.19 2os1A1 GLU 141 H 0.13 -0.09 -0.16 -0.55 8.60 7.93 2os1A1 GLU 141 HA 0.03 0.17 0.72 -0.75 4.29 4.45 2os1A1 GLU 141 HB2 0.06 -0.11 0.07 -0.04 2.09 2.06 2os1A1 GLU 141 HB3 -0.11 0.12 0.02 -0.04 1.99 1.98 2os1A1 GLU 141 HG2 0.04 -0.02 -0.21 -0.04 2.34 2.11 2os1A1 GLU 141 HG3 0.02 0.00 -0.03 -0.04 2.34 2.29 2os1A1 LYS 142 H -0.18 0.12 0.19 -0.55 8.42 8.00 2os1A1 LYS 142 HA -0.49 0.27 0.76 -0.75 4.32 4.11 2os1A1 LYS 142 HB2 -0.29 -0.05 0.11 -0.04 1.87 1.61 2os1A1 LYS 142 HB3 -0.41 0.04 0.02 -0.04 1.79 1.39 2os1A1 LYS 142 HG2 -1.73 0.05 -0.07 -0.04 1.46 -0.34 2os1A1 LYS 142 HG3 -0.34 -0.01 0.05 -0.04 1.46 1.13 2os1A1 LYS 142 HD2 -0.21 0.01 -0.02 -0.04 1.69 1.43 2os1A1 LYS 142 HD3 -0.20 -0.03 -0.01 -0.04 1.68 1.40 2os1A1 LYS 142 HE2 -0.34 -0.00 -0.04 -0.04 2.99 2.58 2os1A1 LYS 142 HE3 -0.63 0.04 -0.08 -0.04 2.99 2.28 2os1A1 HIS 143 H -0.47 0.64 0.46 -0.55 8.41 8.49 2os1A1 HIS 143 HA -0.25 0.13 0.82 -0.75 4.63 4.58 2os1A1 HIS 143 HB2 -1.56 -0.01 0.01 -0.04 3.26 1.66 2os1A1 HIS 143 HB3 -0.37 -0.01 -0.05 -0.04 3.20 2.73 2os1A1 HIS 143 HD2 -0.23 0.10 -0.13 -0.04 6.97 6.66 2os1A1 HIS 143 HE1 0.01 -0.01 -0.02 -0.04 7.75 7.68 2os1A1 LYS 144 H -0.07 0.26 0.12 -0.55 8.42 8.18 2os1A1 LYS 144 HA -0.04 0.29 0.95 -0.75 4.32 4.77 2os1A1 LYS 144 HB2 -0.08 -0.00 -0.06 -0.04 1.87 1.69 2os1A1 LYS 144 HB3 -0.05 -0.02 0.14 -0.04 1.79 1.82 2os1A1 LYS 144 HG2 -0.01 -0.01 -0.22 -0.04 1.46 1.18 2os1A1 LYS 144 HG3 -0.02 0.02 -0.09 -0.04 1.46 1.33 2os1A1 LYS 144 HD2 -0.04 0.01 -0.05 -0.04 1.69 1.57 2os1A1 LYS 144 HD3 -0.03 -0.02 -0.05 -0.04 1.68 1.55 2os1A1 LYS 144 HE2 -0.01 -0.02 -0.11 -0.04 2.99 2.81 2os1A1 LYS 144 HE3 -0.01 0.01 -0.09 -0.04 2.99 2.85 2os1A1 VAL 145 H 0.08 0.74 0.29 -0.55 8.24 8.80 2os1A1 VAL 145 HA 0.05 0.20 1.05 -0.75 4.13 4.68 2os1A1 VAL 145 HB 0.08 0.04 -0.04 -0.04 2.12 2.16 2os1A1 VAL 145 HG13 0.15 -0.00 -0.22 -0.04 0.97 0.85 2os1A1 VAL 145 HG23 0.18 0.02 -0.10 -0.04 0.95 1.00 2os1A1 ARG 146 H 0.03 0.20 0.16 -0.55 8.46 8.30 2os1A1 ARG 146 HA 0.03 0.24 1.09 -0.75 4.34 4.95 2os1A1 ARG 146 HB2 0.02 -0.01 0.17 -0.04 1.90 2.04 2os1A1 ARG 146 HB3 0.02 0.02 0.02 -0.04 1.80 1.82 2os1A1 ARG 146 HG2 0.02 0.02 -0.07 -0.04 1.67 1.60 2os1A1 ARG 146 HG3 0.02 -0.07 -0.23 -0.04 1.67 1.34 2os1A1 ARG 146 HD2 0.01 0.01 -0.03 -0.04 3.22 3.17 2os1A1 ARG 146 HD3 0.01 -0.00 -0.05 -0.04 3.22 3.14 2os1A1 LEU 147 H 0.03 0.70 0.34 -0.55 8.37 8.89 2os1A1 LEU 147 HA 0.02 0.18 0.93 -0.75 4.35 4.72 2os1A1 LEU 147 HB2 0.02 0.00 -0.06 -0.04 1.64 1.56 2os1A1 LEU 147 HB3 0.00 -0.08 -0.13 -0.04 1.64 1.39 2os1A1 LEU 147 HG 0.04 -0.01 -0.35 -0.04 1.64 1.28 2os1A1 LEU 147 HD13 -0.01 0.01 -0.19 -0.04 0.93 0.70 2os1A1 LEU 147 HD23 0.01 0.04 -0.17 -0.04 0.89 0.73 2os1A1 LYS 148 H 0.02 0.23 0.20 -0.55 8.42 8.32 2os1A1 LYS 148 HA 0.03 0.41 0.86 -0.75 4.32 4.86 2os1A1 LYS 148 HB2 0.02 -0.01 0.13 -0.04 1.87 1.98 2os1A1 LYS 148 HB3 0.02 0.05 -0.18 -0.04 1.79 1.64 2os1A1 LYS 148 HG2 0.02 -0.02 -0.06 -0.04 1.46 1.36 2os1A1 LYS 148 HG3 0.02 -0.04 -0.24 -0.04 1.46 1.16 2os1A1 LYS 148 HD2 0.02 -0.01 -0.06 -0.04 1.69 1.60 2os1A1 LYS 148 HD3 0.01 0.02 -0.09 -0.04 1.68 1.58 2os1A1 LYS 148 HE2 0.01 0.03 -0.04 -0.04 2.99 2.95 2os1A1 LYS 148 HE3 0.01 -0.02 -0.05 -0.04 2.99 2.89 2os1A1 ASN 149 H 0.03 0.41 0.24 -0.55 8.53 8.67 2os1A1 ASN 149 HA 0.04 0.08 0.32 -0.75 4.76 4.44 2os1A1 ASN 149 HB2 0.05 0.12 0.01 -0.04 2.88 3.03 2os1A1 ASN 149 HB3 0.06 -0.05 0.20 -0.04 2.79 2.96 2os1A1 ASN 149 HD21 0.02 0.04 -0.04 -0.04 7.03 7.01 2os1A1 ASN 149 HD22 0.02 0.03 -0.04 -0.04 7.74 7.71 2os1A1 TYR 150 H 0.15 0.18 0.19 -0.55 8.29 8.26 2os1A1 TYR 150 HA -0.02 0.04 0.37 -0.75 4.56 4.20 2os1A1 TYR 150 HB2 -0.02 -0.00 0.12 -0.04 3.06 3.12 2os1A1 TYR 150 HB3 -0.02 0.05 0.13 -0.04 2.98 3.10 2os1A1 TYR 150 HD2 -0.03 0.02 0.00 -0.04 7.15 7.10 2os1A1 TYR 150 HE2 -0.04 0.05 -0.01 -0.04 6.85 6.81 2os1A1 GLU 151 H 0.03 0.22 -0.03 -0.55 8.60 8.28 2os1A1 GLU 151 HA -0.21 0.06 0.38 -0.75 4.29 3.77 2os1A1 GLU 151 HB2 -0.01 0.08 0.13 -0.04 2.09 2.24 2os1A1 GLU 151 HB3 -0.05 -0.01 -0.04 -0.04 1.99 1.85 2os1A1 GLU 151 HG2 -0.08 0.00 0.02 -0.04 2.34 2.24 2os1A1 GLU 151 HG3 -0.01 -0.02 0.06 -0.04 2.34 2.33 2os1A1 ALA 152 H -0.00 0.32 -0.65 -0.55 8.40 7.53 2os1A1 ALA 152 HA -0.01 0.00 0.23 -0.75 4.34 3.81 2os1A1 ALA 152 HB3 0.02 0.04 -0.33 -0.04 1.41 1.10 2os1A1 ILE 153 H -0.00 0.42 -0.29 -0.55 8.25 7.83 2os1A1 ILE 153 HA -0.01 0.05 0.30 -0.75 4.18 3.76 2os1A1 ILE 153 HB 0.07 0.10 0.12 -0.04 1.89 2.14 2os1A1 ILE 153 HG12 0.01 0.03 -0.15 -0.04 1.49 1.34 2os1A1 ILE 153 HG13 0.04 0.18 -0.15 -0.04 1.21 1.24 2os1A1 ILE 153 HG23 0.06 -0.01 -0.17 -0.04 0.93 0.76 2os1A1 ILE 153 HD13 0.08 -0.05 -0.23 -0.04 0.88 0.64 2os1A1 VAL 154 H -0.19 0.60 -0.12 -0.55 8.24 7.98 2os1A1 VAL 154 HA -0.13 0.01 0.34 -0.75 4.13 3.60 2os1A1 VAL 154 HB -0.24 0.09 0.10 -0.04 2.12 2.03 2os1A1 VAL 154 HG13 -0.16 -0.00 -0.18 -0.04 0.97 0.59 2os1A1 VAL 154 HG23 -0.63 0.05 -0.00 -0.04 0.95 0.33 2os1A1 VAL 155 H -0.07 0.54 -0.21 -0.55 8.24 7.95 2os1A1 VAL 155 HA -0.03 0.00 0.34 -0.75 4.13 3.69 2os1A1 VAL 155 HB -0.02 0.10 0.03 -0.04 2.12 2.18 2os1A1 VAL 155 HG13 -0.01 -0.01 -0.21 -0.04 0.97 0.69 2os1A1 VAL 155 HG23 -0.07 0.01 -0.07 -0.04 0.95 0.79 2os1A1 GLN 156 H -0.01 0.58 -0.27 -0.55 8.47 8.23 2os1A1 GLN 156 HA -0.00 -0.00 0.38 -0.75 4.36 3.99 2os1A1 GLN 156 HB2 -0.03 0.12 0.08 -0.04 2.15 2.28 2os1A1 GLN 156 HB3 -0.06 -0.03 -0.02 -0.04 2.02 1.86 2os1A1 GLN 156 HG2 0.00 -0.05 -0.04 -0.04 2.40 2.26 2os1A1 GLN 156 HG3 0.00 0.10 -0.02 -0.04 2.39 2.43 2os1A1 GLN 156 HE21 0.01 0.48 -0.11 -0.04 6.97 7.31 2os1A1 GLN 156 HE22 0.00 0.14 -0.49 -0.04 7.69 7.30 2os1A1 HIS 157 H 0.09 0.50 -0.27 -0.55 8.41 8.18 2os1A1 HIS 157 HA -0.05 0.02 0.38 -0.75 4.63 4.23 2os1A1 HIS 157 HB2 -0.03 0.04 0.09 -0.04 3.26 3.31 2os1A1 HIS 157 HB3 -0.03 0.17 0.18 -0.04 3.20 3.47 2os1A1 HIS 157 HD2 0.09 -0.01 -0.36 -0.04 6.97 6.64 2os1A1 HIS 157 HE1 -0.06 0.09 0.03 -0.04 7.75 7.77 2os1A1 GLU 158 H 0.11 0.50 -0.15 -0.55 8.60 8.51 2os1A1 GLU 158 HA 0.28 0.02 0.44 -0.75 4.29 4.27 2os1A1 GLU 158 HB2 0.03 0.08 0.05 -0.04 2.09 2.22 2os1A1 GLU 158 HB3 0.07 -0.05 -0.05 -0.04 1.99 1.91 2os1A1 GLU 158 HG2 0.04 0.26 -0.00 -0.04 2.34 2.60 2os1A1 GLU 158 HG3 0.02 0.01 -0.02 -0.04 2.34 2.31 2os1A1 ILE 159 H 0.03 0.66 -0.09 -0.55 8.25 8.29 2os1A1 ILE 159 HA 0.03 0.01 0.39 -0.75 4.18 3.86 2os1A1 ILE 159 HB 0.01 0.05 0.05 -0.04 1.89 1.96 2os1A1 ILE 159 HG12 0.02 -0.01 -0.10 -0.04 1.49 1.35 2os1A1 ILE 159 HG13 0.01 0.15 -0.02 -0.04 1.21 1.31 2os1A1 ILE 159 HG23 0.03 -0.00 -0.14 -0.04 0.93 0.77 2os1A1 ILE 159 HD13 0.03 -0.03 -0.23 -0.04 0.88 0.60 2os1A1 ASP 160 H -0.03 0.49 -0.38 -0.55 8.40 7.94 2os1A1 ASP 160 HA -0.03 -0.00 0.32 -0.75 4.63 4.16 2os1A1 ASP 160 HB2 -0.18 0.18 0.13 -0.04 2.71 2.80 2os1A1 ASP 160 HB3 -0.20 0.09 -0.15 -0.04 2.70 2.40 2os1A1 HIS 161 H -0.04 0.28 -0.32 -0.55 8.41 7.79 2os1A1 HIS 161 HA -0.05 0.15 0.43 -0.75 4.63 4.40 2os1A1 HIS 161 HB2 0.01 0.24 0.23 -0.04 3.26 3.69 2os1A1 HIS 161 HB3 -0.01 -0.11 -0.01 -0.04 3.20 3.04 2os1A1 HIS 161 HD2 0.15 -0.06 -0.02 -0.04 6.97 6.99 2os1A1 HIS 161 HE1 0.03 -0.08 -0.01 -0.04 7.75 7.64 2os1A1 ILE 162 H 0.07 0.36 -0.23 -0.55 8.25 7.90 2os1A1 ILE 162 HA 0.03 0.07 0.58 -0.75 4.18 4.11 2os1A1 ILE 162 HB 0.02 -0.07 0.11 -0.04 1.89 1.90 2os1A1 ILE 162 HG12 0.03 0.12 0.17 -0.04 1.49 1.78 2os1A1 ILE 162 HG13 0.03 0.06 -0.15 -0.04 1.21 1.10 2os1A1 ILE 162 HG23 0.02 0.00 0.04 -0.04 0.93 0.96 2os1A1 ILE 162 HD13 0.03 -0.03 -0.03 -0.04 0.88 0.80 2os1A1 ASN 163 H 0.01 0.42 -0.54 -0.55 8.53 7.87 2os1A1 ASN 163 HA 0.01 0.07 0.83 -0.75 4.76 4.91 2os1A1 ASN 163 HB2 -0.01 0.07 0.09 -0.04 2.88 2.98 2os1A1 ASN 163 HB3 -0.01 -0.06 0.12 -0.04 2.79 2.80 2os1A1 ASN 163 HD21 0.02 -0.06 -0.08 -0.04 7.03 6.87 2os1A1 ASN 163 HD22 0.01 -0.04 -0.11 -0.04 7.74 7.56 2os1A1 GLY 164 H 0.01 0.28 -0.23 -0.55 8.43 7.94 2os1A1 GLY 164 HA2 0.00 0.25 0.23 -0.51 4.01 3.99 2os1A1 GLY 164 HA3 -0.02 0.08 0.16 -0.51 4.01 3.72 2os1A1 ILE 165 H -0.07 0.60 -0.06 -0.55 8.25 8.17 2os1A1 ILE 165 HA -0.18 0.12 0.86 -0.75 4.18 4.23 2os1A1 ILE 165 HB -0.12 -0.06 -0.00 -0.04 1.89 1.67 2os1A1 ILE 165 HG12 -0.07 0.14 -0.35 -0.04 1.49 1.18 2os1A1 ILE 165 HG13 -0.07 -0.07 -0.09 -0.04 1.21 0.94 2os1A1 ILE 165 HG23 -0.29 -0.03 -0.18 -0.04 0.93 0.39 2os1A1 ILE 165 HD13 -0.12 0.03 -0.12 -0.04 0.88 0.64 2os1A1 MET 166 H -0.39 0.16 0.13 -0.55 8.47 7.82 2os1A1 MET 166 HA -0.43 0.20 0.76 -0.75 4.52 4.29 2os1A1 MET 166 HB2 -1.17 -0.04 0.01 -0.04 2.15 0.91 2os1A1 MET 166 HB3 -0.92 -0.09 0.02 -0.04 2.03 1.00 2os1A1 MET 166 HG2 -0.21 0.13 -0.26 -0.04 2.63 2.25 2os1A1 MET 166 HG3 -0.17 -0.03 -0.10 -0.04 2.56 2.22 2os1A1 MET 166 HE3 0.16 -0.04 -0.09 -0.04 2.10 2.08 2os1A1 PHE 167 H -0.18 0.17 0.08 -0.55 8.34 7.87 2os1A1 PHE 167 HA -0.09 0.12 0.27 -0.75 4.62 4.16 2os1A1 PHE 167 HB2 0.03 0.03 0.02 -0.04 3.15 3.18 2os1A1 PHE 167 HB3 -0.18 0.03 0.08 -0.04 3.06 2.95 2os1A1 PHE 167 HD2 0.06 -0.01 -0.18 -0.04 7.28 7.11 2os1A1 PHE 167 HE2 0.16 0.11 -0.02 -0.04 7.38 7.59 2os1A1 PHE 167 HZ 0.16 0.02 0.05 -0.04 7.32 7.51 2os1A1 TYR 168 H -1.55 0.06 -0.23 -0.55 8.29 6.03 2os1A1 TYR 168 HA -0.26 0.14 0.35 -0.75 4.56 4.03 2os1A1 TYR 168 HB2 -0.29 0.06 0.04 -0.04 3.06 2.82 2os1A1 TYR 168 HB3 -0.75 0.04 0.03 -0.04 2.98 2.27 2os1A1 TYR 168 HD2 -0.67 0.04 -0.18 -0.04 7.15 6.30 2os1A1 TYR 168 HE2 -0.14 0.01 -0.07 -0.04 6.85 6.61 2os1A1 ASP 169 H -0.58 0.41 -0.47 -0.55 8.40 7.21 2os1A1 ASP 169 HA -0.12 0.04 0.40 -0.75 4.63 4.20 2os1A1 ASP 169 HB2 -0.58 0.14 0.06 -0.04 2.71 2.29 2os1A1 ASP 169 HB3 -0.30 -0.00 0.05 -0.04 2.70 2.40 2os1A1 HIS 170 H -0.19 0.37 -0.34 -0.55 8.41 7.71 2os1A1 HIS 170 HA -0.05 0.12 0.57 -0.75 4.63 4.52 2os1A1 HIS 170 HB2 -0.01 0.13 0.05 -0.04 3.26 3.39 2os1A1 HIS 170 HB3 -0.03 -0.08 0.11 -0.04 3.20 3.16 2os1A1 HIS 170 HD2 -0.08 -0.00 -0.02 -0.04 6.97 6.82 2os1A1 HIS 170 HE1 -0.09 -0.02 -0.08 -0.04 7.75 7.52 2os1A1 ILE 171 H 0.02 0.24 -0.33 -0.55 8.25 7.63 2os1A1 ILE 171 HA 0.03 0.19 0.62 -0.75 4.18 4.27 2os1A1 ILE 171 HB 0.01 0.07 0.05 -0.04 1.89 1.98 2os1A1 ILE 171 HG12 0.06 0.08 -0.36 -0.04 1.49 1.23 2os1A1 ILE 171 HG13 0.11 -0.06 -0.11 -0.04 1.21 1.10 2os1A1 ILE 171 HG23 -0.06 0.01 -0.23 -0.04 0.93 0.61 2os1A1 ILE 171 HD13 0.15 0.02 -0.21 -0.04 0.88 0.80 2os1A1 ASN 172 H -0.01 0.23 0.15 -0.55 8.53 8.35 2os1A1 ASN 172 HA 0.00 0.10 0.57 -0.75 4.76 4.68 2os1A1 ASN 172 HB2 0.02 0.09 0.11 -0.04 2.88 3.06 2os1A1 ASN 172 HB3 -0.00 0.12 0.08 -0.04 2.79 2.95 2os1A1 ASN 172 HD21 0.02 -0.02 -0.01 -0.04 7.03 6.98 2os1A1 ASN 172 HD22 0.02 0.06 0.02 -0.04 7.74 7.80 2os1A1 LYS 173 H -0.01 0.30 0.14 -0.55 8.42 8.30 2os1A1 LYS 173 HA -0.02 0.10 0.15 -0.75 4.32 3.79 2os1A1 LYS 173 HB2 -0.01 -0.05 0.05 -0.04 1.87 1.81 2os1A1 LYS 173 HB3 -0.01 -0.00 0.01 -0.04 1.79 1.74 2os1A1 LYS 173 HG2 -0.02 0.04 -0.01 -0.04 1.46 1.43 2os1A1 LYS 173 HG3 -0.01 0.10 0.08 -0.04 1.46 1.59 2os1A1 LYS 173 HD2 -0.02 -0.03 0.01 -0.04 1.69 1.60 2os1A1 LYS 173 HD3 -0.03 -0.03 0.00 -0.04 1.68 1.59 2os1A1 LYS 173 HE2 -0.04 -0.05 -0.01 -0.04 2.99 2.85 2os1A1 LYS 173 HE3 -0.04 0.03 -0.01 -0.04 2.99 2.93 2os1A1 GLU 174 H 0.00 -0.01 -0.45 -0.55 8.60 7.59 2os1A1 GLU 174 HA 0.01 0.13 0.45 -0.75 4.29 4.12 2os1A1 GLU 174 HB2 0.01 -0.04 0.02 -0.04 2.09 2.04 2os1A1 GLU 174 HB3 0.01 0.01 -0.04 -0.04 1.99 1.93 2os1A1 GLU 174 HG2 0.00 0.03 -0.01 -0.04 2.34 2.33 2os1A1 GLU 174 HG3 0.00 -0.04 -0.04 -0.04 2.34 2.22 2os1A1 ASN 175 H 0.01 0.17 -0.36 -0.55 8.53 7.80 2os1A1 ASN 175 HA 0.04 0.16 0.71 -0.75 4.76 4.92 2os1A1 ASN 175 HB2 0.03 -0.04 0.06 -0.04 2.88 2.90 2os1A1 ASN 175 HB3 0.05 -0.09 0.12 -0.04 2.79 2.83 2os1A1 ASN 175 HD21 0.02 0.02 -0.09 -0.04 7.03 6.94 2os1A1 ASN 175 HD22 0.02 -0.04 -0.11 -0.04 7.74 7.57 2os1A1 PRO 176 HA -0.15 0.09 0.33 -0.51 4.44 4.20 2os1A1 PRO 176 HB2 -0.45 -0.06 -0.09 -0.04 2.28 1.63 2os1A1 PRO 176 HB3 -0.25 0.15 0.03 -0.04 2.02 1.91 2os1A1 PRO 176 HG2 0.03 -0.00 -0.03 -0.04 2.03 2.00 2os1A1 PRO 176 HG3 -0.03 0.14 -0.04 -0.04 2.03 2.05 2os1A1 PRO 176 HD2 0.08 0.03 0.04 -0.04 3.68 3.79 2os1A1 PRO 176 HD3 0.02 0.22 -0.48 -0.04 3.65 3.36 2os1A1 PHE 177 H 0.14 0.11 -0.27 -0.55 8.34 7.76 2os1A1 PHE 177 HA -0.39 0.20 1.02 -0.75 4.62 4.70 2os1A1 PHE 177 HB2 -0.08 -0.01 0.03 -0.04 3.15 3.05 2os1A1 PHE 177 HB3 -0.16 0.01 0.14 -0.04 3.06 3.01 2os1A1 PHE 177 HD2 -0.49 0.03 -0.05 -0.04 7.28 6.72 2os1A1 PHE 177 HE2 -0.15 0.06 -0.09 -0.04 7.38 7.15 2os1A1 PHE 177 HZ -0.09 -0.01 -0.06 -0.04 7.32 7.13 2os1A1 ALA 178 H 0.09 0.45 -0.21 -0.55 8.40 8.18 2os1A1 ALA 178 HA 0.14 0.01 0.44 -0.75 4.34 4.17 2os1A1 ALA 178 HB3 0.07 -0.00 0.07 -0.04 1.41 1.50 2os1A1 LEU 179 H 0.11 0.15 0.08 -0.55 8.37 8.16 2os1A1 LEU 179 HA 0.06 0.18 0.89 -0.75 4.35 4.72 2os1A1 LEU 179 HB2 0.08 -0.04 0.11 -0.04 1.64 1.75 2os1A1 LEU 179 HB3 0.00 0.03 -0.05 -0.04 1.64 1.58 2os1A1 LEU 179 HG 0.25 0.13 -0.32 -0.04 1.64 1.66 2os1A1 LEU 179 HD13 -0.03 -0.01 -0.07 -0.04 0.93 0.78 2os1A1 LEU 179 HD23 -0.38 0.02 -0.11 -0.04 0.89 0.38 2os1A1 LYS 180 H 0.03 0.18 -0.02 -0.55 8.42 8.05 2os1A1 LYS 180 HA 0.03 -0.00 0.37 -0.75 4.32 3.96 2os1A1 LYS 180 HB2 0.01 -0.02 0.03 -0.04 1.87 1.85 2os1A1 LYS 180 HB3 0.02 0.07 -0.02 -0.04 1.79 1.82 2os1A1 LYS 180 HG2 0.03 -0.00 -0.00 -0.04 1.46 1.44 2os1A1 LYS 180 HG3 0.03 -0.00 -0.01 -0.04 1.46 1.44 2os1A1 LYS 180 HD2 0.02 0.01 -0.02 -0.04 1.69 1.65 2os1A1 LYS 180 HD3 0.02 0.01 -0.02 -0.04 1.68 1.65 2os1A1 LYS 180 HE2 0.02 -0.02 -0.02 -0.04 2.99 2.93 2os1A1 LYS 180 HE3 0.02 0.02 -0.02 -0.04 2.99 2.98 2os1A1 GLU 181 H 0.02 0.08 0.18 -0.55 8.60 8.34 2os1A1 GLU 181 HA 0.01 0.04 0.44 -0.75 4.29 4.03 2os1A1 GLU 181 HB2 0.01 -0.01 0.17 -0.04 2.09 2.22 2os1A1 GLU 181 HB3 0.01 0.02 0.06 -0.04 1.99 2.04 2os1A1 GLU 181 HG2 0.01 0.04 0.10 -0.04 2.34 2.45 2os1A1 GLU 181 HG3 0.02 -0.03 0.17 -0.04 2.34 2.45 2os1A1 GLY 182 H 0.00 0.17 0.19 -0.55 8.43 8.25 2os1A1 GLY 182 HA2 0.00 -0.03 0.33 -0.51 4.01 3.80 2os1A1 GLY 182 HA3 0.01 0.18 0.87 -0.51 4.01 4.56 2os1A1 VAL 183 H -0.01 0.53 -0.04 -0.55 8.24 8.17 2os1A1 VAL 183 HA -0.01 0.05 0.48 -0.75 4.13 3.89 2os1A1 VAL 183 HB -0.04 0.01 -0.01 -0.04 2.12 2.04 2os1A1 VAL 183 HG13 -0.07 0.03 -0.29 -0.04 0.97 0.60 2os1A1 VAL 183 HG23 -0.01 -0.00 -0.08 -0.04 0.95 0.82 2os1A1 LEU 184 H -0.02 0.56 0.36 -0.55 8.37 8.72 2os1A1 LEU 184 HA -0.03 0.13 0.72 -0.75 4.35 4.41 2os1A1 LEU 184 HB2 -0.01 -0.06 0.15 -0.04 1.64 1.67 2os1A1 LEU 184 HB3 -0.02 -0.04 0.09 -0.04 1.64 1.64 2os1A1 LEU 184 HG -0.00 0.14 0.12 -0.04 1.64 1.86 2os1A1 LEU 184 HD13 0.00 -0.03 -0.02 -0.04 0.93 0.85 2os1A1 LEU 184 HD23 -0.01 0.01 -0.02 -0.04 0.89 0.83 2os1A1 VAL 185 H -0.04 0.22 0.19 -0.55 8.24 8.07 2os1A1 VAL 185 HA -0.09 0.33 1.04 -0.75 4.13 4.65 2os1A1 VAL 185 HB -0.05 -0.03 0.09 -0.04 2.12 2.09 2os1A1 VAL 185 HG13 -0.05 -0.01 -0.17 -0.04 0.97 0.70 2os1A1 VAL 185 HG23 -0.17 0.03 -0.23 -0.04 0.95 0.54 2os1A1 ILE 186 H -0.04 0.59 0.32 -0.55 8.25 8.57 2os1A1 ILE 186 HA -0.03 0.20 1.01 -0.75 4.18 4.60 2os1A1 ILE 186 HB -0.02 -0.01 0.02 -0.04 1.89 1.84 2os1A1 ILE 186 HG12 -0.01 0.09 -0.03 -0.04 1.49 1.50 2os1A1 ILE 186 HG13 -0.01 -0.02 -0.27 -0.04 1.21 0.87 2os1A1 ILE 186 HG23 -0.09 -0.01 -0.21 -0.04 0.93 0.57 2os1A1 ILE 186 HD13 0.04 -0.01 -0.11 -0.04 0.88 0.76 2os1A1 GLU 187 H -0.04 0.29 0.12 -0.55 8.60 8.41 2os1A1 GLU 187 HA -0.04 0.03 0.99 -0.75 4.29 4.53 2os1A1 GLU 187 HB2 -0.01 0.02 -0.10 -0.04 2.09 1.96 2os1A1 GLU 187 HB3 -0.02 0.05 0.13 -0.04 1.99 2.11 2os1A1 GLU 187 HG2 -0.02 -0.01 -0.17 -0.04 2.34 2.09 2os1A1 GLU 187 HG3 -0.00 -0.03 0.02 -0.04 2.34 2.29 2os1A1 LEU 188 H -0.08 0.13 0.06 -0.55 8.37 7.94 2os1A1 LEU 188 HA -0.14 0.18 0.44 -0.75 4.35 4.08 2os1A1 LEU 188 HB2 -0.12 0.03 0.10 -0.04 1.64 1.60 2os1A1 LEU 188 HB3 -0.17 0.07 0.07 -0.04 1.64 1.56 2os1A1 LEU 188 HG -0.26 -0.05 -0.04 -0.04 1.64 1.24 2os1A1 LEU 188 HD13 -0.46 0.02 -0.00 -0.04 0.93 0.45 2os1A1 LEU 188 HD23 -0.56 0.00 -0.13 -0.04 0.89 0.17