============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 22 1.000 39.724 69.512 135.595 -99.200 -91.000 HIS 23 0.900 42.684 67.879 140.616 -99.200 -91.000 PHE 40 1.000 22.788 63.230 136.883 -99.200 -91.000 HIS 69 0.900 20.801 58.778 129.257 -99.200 -91.000 HIS 92 0.900 31.112 54.031 139.289 -99.200 -91.000 PHE 96 1.000 22.069 61.971 144.605 -99.200 -91.000 PHE 107 1.000 22.530 53.865 159.562 -99.200 -91.000 PHE 108 1.000 18.123 53.497 164.167 -99.200 -91.000 TYR 112 0.840 15.725 50.034 149.941 -99.200 -91.000 HIS 120 0.900 19.520 52.606 139.864 -99.200 -91.000 TYR 124 0.840 22.353 47.469 139.101 -99.200 -91.000 TYR 126 0.840 33.076 49.233 139.557 -99.200 -91.000 PHE 148 1.000 36.130 58.257 153.287 -99.200 -91.000 TYR 157 0.840 31.162 57.997 153.379 -99.200 -91.000 TRP 159 1.040 21.454 55.213 155.834 -99.200 -91.000 TRP6 159 1.020 20.787 52.959 155.916 -99.200 -91.000 PHE 173 1.000 29.785 38.197 143.423 -99.200 -91.000 TYR 181 0.840 34.211 40.940 127.970 -99.200 -91.000 TRP 201 1.040 42.843 60.298 155.910 -99.200 -91.000 TRP6 201 1.020 40.806 59.086 156.047 -99.200 -91.000 TRP 209 1.040 44.400 63.109 152.897 -99.200 -91.000 TRP6 209 1.020 44.891 61.888 150.905 -99.200 -91.000 TRP 228 1.040 54.415 49.919 134.231 -99.200 -91.000 TRP6 228 1.020 56.393 48.628 134.014 -99.200 -91.000 TYR 238 0.840 42.463 50.329 151.384 -99.200 -91.000 HIS 244 0.900 44.319 50.896 154.677 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2b37A1 THR 2 HA 0.02 -0.07 0.21 -0.75 4.39 3.80 2b37A1 THR 2 HB 0.04 0.05 -0.03 -0.04 4.32 4.34 2b37A1 THR 2 HG23 0.02 -0.01 0.03 -0.04 1.22 1.22 2b37A1 GLY 3 H 0.02 0.12 0.05 -0.55 8.43 8.08 2b37A1 GLY 3 HA2 0.02 0.07 0.66 -0.51 4.01 4.25 2b37A1 GLY 3 HA3 0.02 0.02 0.41 -0.51 4.01 3.95 2b37A1 LEU 4 H 0.04 0.09 0.16 -0.55 8.37 8.11 2b37A1 LEU 4 HA 0.15 0.03 0.28 -0.75 4.35 4.05 2b37A1 LEU 4 HB2 0.06 -0.04 0.05 -0.04 1.64 1.68 2b37A1 LEU 4 HB3 0.11 0.08 -0.17 -0.04 1.64 1.62 2b37A1 LEU 4 HG 0.02 -0.02 0.05 -0.04 1.64 1.65 2b37A1 LEU 4 HD13 0.07 0.02 -0.18 -0.04 0.93 0.80 2b37A1 LEU 4 HD23 0.13 -0.01 0.04 -0.04 0.89 1.01 2b37A1 LEU 5 H 0.05 0.21 -0.57 -0.55 8.37 7.51 2b37A1 LEU 5 HA 0.05 0.24 0.79 -0.75 4.35 4.68 2b37A1 LEU 5 HB2 0.03 -0.05 -0.09 -0.04 1.64 1.49 2b37A1 LEU 5 HB3 0.03 -0.05 0.07 -0.04 1.64 1.64 2b37A1 LEU 5 HG 0.03 0.06 -0.14 -0.04 1.64 1.56 2b37A1 LEU 5 HD13 0.07 0.02 -0.41 -0.04 0.93 0.57 2b37A1 LEU 5 HD23 0.03 -0.04 -0.09 -0.04 0.89 0.75 2b37A1 ASP 6 H 0.05 0.26 -0.16 -0.55 8.40 8.00 2b37A1 ASP 6 HA 0.02 0.05 0.66 -0.75 4.63 4.60 2b37A1 ASP 6 HB2 0.04 0.04 0.09 -0.04 2.71 2.84 2b37A1 ASP 6 HB3 0.03 -0.04 -0.03 -0.04 2.70 2.62 2b37A1 GLY 7 H 0.01 0.20 0.15 -0.55 8.43 8.25 2b37A1 GLY 7 HA2 0.01 -0.00 0.31 -0.51 4.01 3.82 2b37A1 GLY 7 HA3 0.01 0.05 0.36 -0.51 4.01 3.91 2b37A1 LYS 8 H 0.01 0.23 -0.37 -0.55 8.42 7.74 2b37A1 LYS 8 HA 0.01 0.18 0.88 -0.75 4.32 4.64 2b37A1 LYS 8 HB2 0.02 -0.00 -0.08 -0.04 1.87 1.76 2b37A1 LYS 8 HB3 0.01 -0.03 -0.14 -0.04 1.79 1.59 2b37A1 LYS 8 HG2 0.01 0.04 -0.16 -0.04 1.46 1.31 2b37A1 LYS 8 HG3 0.02 0.10 -0.38 -0.04 1.46 1.16 2b37A1 LYS 8 HD2 0.03 -0.09 -0.07 -0.04 1.69 1.52 2b37A1 LYS 8 HD3 0.01 0.04 -0.06 -0.04 1.68 1.63 2b37A1 LYS 8 HE2 0.02 -0.04 0.02 -0.04 2.99 2.95 2b37A1 LYS 8 HE3 0.02 0.11 0.05 -0.04 2.99 3.13 2b37A1 ARG 9 H 0.00 0.19 0.25 -0.55 8.46 8.35 2b37A1 ARG 9 HA 0.00 0.41 0.96 -0.75 4.34 4.96 2b37A1 ARG 9 HB2 -0.00 0.01 0.31 -0.04 1.90 2.18 2b37A1 ARG 9 HB3 0.00 0.02 0.03 -0.04 1.80 1.81 2b37A1 ARG 9 HG2 0.00 -0.01 -0.07 -0.04 1.67 1.55 2b37A1 ARG 9 HG3 0.00 0.01 0.03 -0.04 1.67 1.67 2b37A1 ARG 9 HD2 0.00 0.13 -0.02 -0.04 3.22 3.29 2b37A1 ARG 9 HD3 0.00 -0.01 -0.01 -0.04 3.22 3.16 2b37A1 ILE 10 H 0.00 0.60 0.22 -0.55 8.25 8.52 2b37A1 ILE 10 HA 0.00 0.26 1.04 -0.75 4.18 4.73 2b37A1 ILE 10 HB 0.01 -0.04 -0.09 -0.04 1.89 1.73 2b37A1 ILE 10 HG12 0.01 0.02 -0.23 -0.04 1.49 1.25 2b37A1 ILE 10 HG13 0.01 -0.06 -0.64 -0.04 1.21 0.47 2b37A1 ILE 10 HG23 0.02 -0.02 -0.37 -0.04 0.93 0.51 2b37A1 ILE 10 HD13 0.02 0.01 -0.16 -0.04 0.88 0.71 2b37A1 LEU 11 H 0.00 0.60 0.29 -0.55 8.37 8.71 2b37A1 LEU 11 HA 0.01 0.24 0.69 -0.75 4.35 4.53 2b37A1 LEU 11 HB2 -0.00 0.10 0.14 -0.04 1.64 1.83 2b37A1 LEU 11 HB3 0.01 -0.14 0.21 -0.04 1.64 1.67 2b37A1 LEU 11 HG 0.01 -0.06 -0.16 -0.04 1.64 1.40 2b37A1 LEU 11 HD13 0.01 0.02 -0.13 -0.04 0.93 0.78 2b37A1 LEU 11 HD23 0.01 -0.02 -0.13 -0.04 0.89 0.70 2b37A1 VAL 12 H 0.01 0.61 0.38 -0.55 8.24 8.70 2b37A1 VAL 12 HA 0.03 0.12 1.02 -0.75 4.13 4.55 2b37A1 VAL 12 HB 0.01 -0.04 0.13 -0.04 2.12 2.18 2b37A1 VAL 12 HG13 0.03 -0.03 -0.07 -0.04 0.97 0.86 2b37A1 VAL 12 HG23 0.01 0.05 -0.35 -0.04 0.95 0.62 2b37A1 SER 13 H 0.02 0.49 0.28 -0.55 8.46 8.70 2b37A1 SER 13 HA 0.02 0.20 0.89 -0.75 4.49 4.85 2b37A1 SER 13 HB2 -0.03 -0.08 0.07 -0.04 3.95 3.87 2b37A1 SER 13 HB3 -0.00 0.05 0.05 -0.04 3.93 3.98 2b37A1 GLY 14 H 0.02 0.21 0.16 -0.55 8.43 8.27 2b37A1 GLY 14 HA2 0.01 -0.02 0.37 -0.51 4.01 3.87 2b37A1 GLY 14 HA3 0.03 0.27 0.68 -0.51 4.01 4.47 2b37A1 ILE 15 H 0.07 0.27 -0.28 -0.55 8.25 7.75 2b37A1 ILE 15 HA 0.13 -0.10 0.48 -0.75 4.18 3.95 2b37A1 ILE 15 HB 0.09 0.08 0.06 -0.04 1.89 2.07 2b37A1 ILE 15 HG12 0.27 -0.10 -0.30 -0.04 1.49 1.32 2b37A1 ILE 15 HG13 0.11 0.05 -0.37 -0.04 1.21 0.96 2b37A1 ILE 15 HG23 0.14 -0.00 -0.25 -0.04 0.93 0.78 2b37A1 ILE 15 HD13 0.09 0.04 -0.06 -0.04 0.88 0.90 2b37A1 ILE 16 H 0.07 -0.03 0.34 -0.55 8.25 8.09 2b37A1 ILE 16 HA 0.05 0.13 0.62 -0.75 4.18 4.22 2b37A1 ILE 16 HB 0.07 0.02 0.05 -0.04 1.89 2.00 2b37A1 ILE 16 HG12 0.07 -0.01 0.04 -0.04 1.49 1.55 2b37A1 ILE 16 HG13 0.03 0.02 -0.15 -0.04 1.21 1.07 2b37A1 ILE 16 HG23 0.05 0.03 0.11 -0.04 0.93 1.08 2b37A1 ILE 16 HD13 0.04 -0.03 0.12 -0.04 0.88 0.98 2b37A1 THR 17 H 0.02 0.01 0.31 -0.55 8.28 8.08 2b37A1 THR 17 HA -0.06 0.29 0.88 -0.75 4.39 4.75 2b37A1 THR 17 HB -0.05 -0.05 0.16 -0.04 4.32 4.34 2b37A1 THR 17 HG23 -0.01 0.04 -0.07 -0.04 1.22 1.14 2b37A1 ASP 18 H -0.18 0.24 0.15 -0.55 8.40 8.06 2b37A1 ASP 18 HA -1.15 0.17 0.54 -0.75 4.63 3.43 2b37A1 ASP 18 HB2 -0.53 0.10 0.13 -0.04 2.71 2.37 2b37A1 ASP 18 HB3 -0.40 0.05 0.11 -0.04 2.70 2.42 2b37A1 SER 19 H -0.08 -0.09 -0.37 -0.55 8.46 7.37 2b37A1 SER 19 HA 0.10 0.25 0.77 -0.75 4.49 4.86 2b37A1 SER 19 HB2 -0.02 0.00 0.01 -0.04 3.95 3.90 2b37A1 SER 19 HB3 -0.02 -0.08 0.04 -0.04 3.93 3.83 2b37A1 SER 20 H 0.05 0.22 -0.26 -0.55 8.46 7.92 2b37A1 SER 20 HA 0.04 0.15 0.53 -0.75 4.49 4.45 2b37A1 SER 20 HB2 0.16 0.10 0.18 -0.04 3.95 4.35 2b37A1 SER 20 HB3 0.10 0.01 0.14 -0.04 3.93 4.14 2b37A1 ILE 21 H 0.05 0.20 0.18 -0.55 8.25 8.14 2b37A1 ILE 21 HA 0.05 0.13 0.54 -0.75 4.18 4.14 2b37A1 ILE 21 HB 0.05 0.01 0.10 -0.04 1.89 2.01 2b37A1 ILE 21 HG12 -0.02 0.02 -0.00 -0.04 1.49 1.45 2b37A1 ILE 21 HG13 0.00 -0.00 0.02 -0.04 1.21 1.18 2b37A1 ILE 21 HG23 0.06 0.02 -0.09 -0.04 0.93 0.89 2b37A1 ILE 21 HD13 0.04 0.02 -0.01 -0.04 0.88 0.89 2b37A1 ALA 22 H 0.09 0.08 -0.09 -0.55 8.40 7.93 2b37A1 ALA 22 HA 0.08 0.16 0.43 -0.75 4.34 4.25 2b37A1 ALA 22 HB3 0.08 0.06 -0.25 -0.04 1.41 1.26 2b37A1 PHE 23 H 0.28 0.04 -0.68 -0.55 8.34 7.43 2b37A1 PHE 23 HA 0.04 0.14 0.56 -0.75 4.62 4.61 2b37A1 PHE 23 HB2 0.07 -0.03 0.08 -0.04 3.15 3.22 2b37A1 PHE 23 HB3 0.18 0.16 0.02 -0.04 3.06 3.38 2b37A1 PHE 23 HD2 -0.09 -0.03 -0.14 -0.04 7.28 6.99 2b37A1 PHE 23 HE2 -0.09 0.12 -0.10 -0.04 7.38 7.27 2b37A1 PHE 23 HZ -0.05 0.16 -0.23 -0.04 7.32 7.16 2b37A1 HIS 24 H 0.52 0.37 -0.06 -0.55 8.41 8.68 2b37A1 HIS 24 HA -0.03 0.07 0.29 -0.75 4.63 4.21 2b37A1 HIS 24 HB2 0.07 0.04 0.05 -0.04 3.26 3.38 2b37A1 HIS 24 HB3 0.03 -0.03 -0.10 -0.04 3.20 3.06 2b37A1 HIS 24 HD2 0.28 0.10 -0.03 -0.04 6.97 7.27 2b37A1 HIS 24 HE1 0.05 0.01 0.05 -0.04 7.75 7.81 2b37A1 ILE 25 H 0.11 0.50 -0.33 -0.55 8.25 7.98 2b37A1 ILE 25 HA 0.04 0.01 0.48 -0.75 4.18 3.96 2b37A1 ILE 25 HB 0.05 0.03 0.05 -0.04 1.89 1.98 2b37A1 ILE 25 HG12 0.06 -0.05 0.00 -0.04 1.49 1.47 2b37A1 ILE 25 HG13 0.08 0.06 0.02 -0.04 1.21 1.34 2b37A1 ILE 25 HG23 0.04 0.01 -0.19 -0.04 0.93 0.75 2b37A1 ILE 25 HD13 0.07 -0.02 -0.17 -0.04 0.88 0.72 2b37A1 ALA 26 H -0.03 0.34 -0.30 -0.55 8.40 7.86 2b37A1 ALA 26 HA -0.04 0.04 0.31 -0.75 4.34 3.89 2b37A1 ALA 26 HB3 -0.10 0.03 0.11 -0.04 1.41 1.41 2b37A1 ARG 27 H -0.28 0.65 -0.14 -0.55 8.46 8.13 2b37A1 ARG 27 HA -0.23 0.05 0.46 -0.75 4.34 3.88 2b37A1 ARG 27 HB2 -0.66 0.00 0.05 -0.04 1.90 1.25 2b37A1 ARG 27 HB3 -0.32 -0.01 0.07 -0.04 1.80 1.50 2b37A1 ARG 27 HG2 -0.13 -0.00 -0.27 -0.04 1.67 1.22 2b37A1 ARG 27 HG3 -0.17 0.01 0.05 -0.04 1.67 1.52 2b37A1 ARG 27 HD2 -0.10 -0.00 -0.02 -0.04 3.22 3.06 2b37A1 ARG 27 HD3 -0.19 0.04 -0.02 -0.04 3.22 3.00 2b37A1 VAL 28 H -0.07 0.42 -0.31 -0.55 8.24 7.72 2b37A1 VAL 28 HA -0.03 0.03 0.38 -0.75 4.13 3.75 2b37A1 VAL 28 HB 0.01 0.08 0.08 -0.04 2.12 2.25 2b37A1 VAL 28 HG13 0.01 -0.03 -0.18 -0.04 0.97 0.74 2b37A1 VAL 28 HG23 0.01 0.02 0.03 -0.04 0.95 0.98 2b37A1 ALA 29 H -0.03 0.64 -0.14 -0.55 8.40 8.33 2b37A1 ALA 29 HA 0.01 -0.02 0.31 -0.75 4.34 3.88 2b37A1 ALA 29 HB3 -0.01 0.03 0.01 -0.04 1.41 1.40 2b37A1 GLN 30 H -0.04 0.48 -0.15 -0.55 8.47 8.21 2b37A1 GLN 30 HA -0.02 0.29 0.32 -0.75 4.36 4.20 2b37A1 GLN 30 HB2 -0.06 0.05 0.11 -0.04 2.15 2.21 2b37A1 GLN 30 HB3 -0.03 -0.05 0.01 -0.04 2.02 1.90 2b37A1 GLN 30 HG2 -0.03 0.06 0.03 -0.04 2.40 2.42 2b37A1 GLN 30 HG3 -0.05 0.08 0.07 -0.04 2.39 2.45 2b37A1 GLN 30 HE21 -0.03 0.25 -0.17 -0.04 6.97 6.98 2b37A1 GLN 30 HE22 -0.03 -0.11 -0.11 -0.04 7.69 7.40 2b37A1 GLU 31 H -0.04 0.39 -0.41 -0.55 8.60 8.00 2b37A1 GLU 31 HA -0.02 0.00 0.42 -0.75 4.29 3.94 2b37A1 GLU 31 HB2 -0.04 0.18 0.17 -0.04 2.09 2.36 2b37A1 GLU 31 HB3 -0.02 0.07 0.07 -0.04 1.99 2.07 2b37A1 GLU 31 HG2 -0.01 -0.02 0.12 -0.04 2.34 2.39 2b37A1 GLU 31 HG3 -0.02 -0.02 0.08 -0.04 2.34 2.34 2b37A1 GLN 32 H -0.00 0.57 -0.56 -0.55 8.47 7.93 2b37A1 GLN 32 HA 0.01 0.12 0.88 -0.75 4.36 4.62 2b37A1 GLN 32 HB2 0.02 0.18 0.06 -0.04 2.15 2.37 2b37A1 GLN 32 HB3 0.03 -0.35 0.07 -0.04 2.02 1.72 2b37A1 GLN 32 HG2 0.01 0.19 -0.21 -0.04 2.40 2.34 2b37A1 GLN 32 HG3 0.02 -0.08 -0.06 -0.04 2.39 2.23 2b37A1 GLN 32 HE21 -0.00 -0.03 -0.02 -0.04 6.97 6.88 2b37A1 GLN 32 HE22 0.00 -0.01 -0.12 -0.04 7.69 7.52 2b37A1 GLY 33 H 0.00 0.43 -0.06 -0.55 8.43 8.25 2b37A1 GLY 33 HA2 0.01 -0.02 0.28 -0.51 4.01 3.76 2b37A1 GLY 33 HA3 0.01 0.08 0.61 -0.51 4.01 4.20 2b37A1 ALA 34 H 0.01 0.09 -0.17 -0.55 8.40 7.78 2b37A1 ALA 34 HA 0.01 0.14 0.50 -0.75 4.34 4.23 2b37A1 ALA 34 HB3 0.01 -0.06 -0.13 -0.04 1.41 1.19 2b37A1 GLN 35 H 0.00 0.55 0.36 -0.55 8.47 8.84 2b37A1 GLN 35 HA -0.00 0.08 0.82 -0.75 4.36 4.50 2b37A1 GLN 35 HB2 0.00 0.01 0.12 -0.04 2.15 2.24 2b37A1 GLN 35 HB3 0.00 -0.03 0.13 -0.04 2.02 2.07 2b37A1 GLN 35 HG2 -0.00 0.01 0.08 -0.04 2.40 2.44 2b37A1 GLN 35 HG3 -0.00 -0.04 0.04 -0.04 2.39 2.35 2b37A1 GLN 35 HE21 0.00 -0.02 -0.12 -0.04 6.97 6.79 2b37A1 GLN 35 HE22 -0.00 0.07 -0.01 -0.04 7.69 7.70 2b37A1 LEU 36 H -0.01 0.17 0.08 -0.55 8.37 8.06 2b37A1 LEU 36 HA -0.00 0.21 0.82 -0.75 4.35 4.62 2b37A1 LEU 36 HB2 -0.01 -0.02 -0.04 -0.04 1.64 1.53 2b37A1 LEU 36 HB3 -0.01 -0.01 -0.09 -0.04 1.64 1.49 2b37A1 LEU 36 HG -0.02 0.07 -0.19 -0.04 1.64 1.47 2b37A1 LEU 36 HD13 -0.03 -0.00 -0.01 -0.04 0.93 0.85 2b37A1 LEU 36 HD23 -0.00 0.01 -0.26 -0.04 0.89 0.60 2b37A1 VAL 37 H 0.00 0.62 0.17 -0.55 8.24 8.48 2b37A1 VAL 37 HA 0.00 0.11 0.54 -0.75 4.13 4.03 2b37A1 VAL 37 HB 0.00 -0.05 -0.03 -0.04 2.12 2.01 2b37A1 VAL 37 HG13 0.01 0.01 -0.21 -0.04 0.97 0.74 2b37A1 VAL 37 HG23 0.00 0.03 -0.16 -0.04 0.95 0.78 2b37A1 LEU 38 H 0.01 0.18 -0.25 -0.55 8.37 7.77 2b37A1 LEU 38 HA 0.02 0.28 0.94 -0.75 4.35 4.83 2b37A1 LEU 38 HB2 0.02 -0.09 -0.04 -0.04 1.64 1.49 2b37A1 LEU 38 HB3 0.03 0.02 0.07 -0.04 1.64 1.72 2b37A1 LEU 38 HG 0.01 -0.05 -0.27 -0.04 1.64 1.29 2b37A1 LEU 38 HD13 0.02 0.02 -0.04 -0.04 0.93 0.89 2b37A1 LEU 38 HD23 0.00 0.02 -0.11 -0.04 0.89 0.76 2b37A1 THR 39 H 0.03 0.51 0.31 -0.55 8.28 8.58 2b37A1 THR 39 HA 0.03 0.15 1.04 -0.75 4.39 4.86 2b37A1 THR 39 HB 0.04 0.08 -0.08 -0.04 4.32 4.32 2b37A1 THR 39 HG23 0.02 0.03 -0.31 -0.04 1.22 0.92 2b37A1 GLY 40 H 0.06 0.93 0.42 -0.55 8.43 9.29 2b37A1 GLY 40 HA2 0.08 0.10 0.88 -0.51 4.01 4.55 2b37A1 GLY 40 HA3 0.05 0.01 0.14 -0.51 4.01 3.70 2b37A1 PHE 41 H 0.18 0.10 0.08 -0.55 8.34 8.14 2b37A1 PHE 41 HA -0.03 0.20 0.38 -0.75 4.62 4.42 2b37A1 PHE 41 HB2 -0.05 0.10 0.12 -0.04 3.15 3.28 2b37A1 PHE 41 HB3 -0.03 -0.07 0.22 -0.04 3.06 3.14 2b37A1 PHE 41 HD2 -0.08 -0.00 0.04 -0.04 7.28 7.19 2b37A1 PHE 41 HE2 -0.15 -0.01 -0.01 -0.04 7.38 7.18 2b37A1 PHE 41 HZ -0.19 0.02 -0.02 -0.04 7.32 7.09 2b37A1 ASP 42 H -0.29 0.03 0.10 -0.55 8.40 7.70 2b37A1 ASP 42 HA -0.54 0.28 0.89 -0.75 4.63 4.51 2b37A1 ASP 42 HB2 -1.72 0.02 0.03 -0.04 2.71 0.99 2b37A1 ASP 42 HB3 -0.50 -0.07 0.18 -0.04 2.70 2.27 2b37A1 ARG 43 H -0.13 0.09 0.11 -0.55 8.46 7.98 2b37A1 ARG 43 HA -0.08 0.13 0.47 -0.75 4.34 4.11 2b37A1 ARG 43 HB2 -0.02 0.03 0.25 -0.04 1.90 2.12 2b37A1 ARG 43 HB3 -0.03 -0.04 0.18 -0.04 1.80 1.88 2b37A1 ARG 43 HG2 -0.06 0.05 0.05 -0.04 1.67 1.66 2b37A1 ARG 43 HG3 -0.04 -0.03 0.12 -0.04 1.67 1.68 2b37A1 ARG 43 HD2 -0.02 0.01 0.05 -0.04 3.22 3.23 2b37A1 ARG 43 HD3 -0.01 0.05 0.04 -0.04 3.22 3.25 2b37A1 LEU 44 H -0.06 0.66 0.23 -0.55 8.37 8.65 2b37A1 LEU 44 HA -0.01 0.04 0.10 -0.75 4.35 3.73 2b37A1 LEU 44 HB2 -0.03 0.01 0.12 -0.04 1.64 1.70 2b37A1 LEU 44 HB3 -0.01 0.05 -0.11 -0.04 1.64 1.53 2b37A1 LEU 44 HG -0.01 0.02 -0.02 -0.04 1.64 1.59 2b37A1 LEU 44 HD13 0.01 -0.00 -0.16 -0.04 0.93 0.74 2b37A1 LEU 44 HD23 -0.03 0.04 -0.28 -0.04 0.89 0.57 2b37A1 ARG 45 H -0.02 0.07 -0.15 -0.55 8.46 7.81 2b37A1 ARG 45 HA -0.00 0.20 0.54 -0.75 4.34 4.32 2b37A1 ARG 45 HB2 -0.01 0.00 0.05 -0.04 1.90 1.89 2b37A1 ARG 45 HB3 -0.01 0.00 -0.02 -0.04 1.80 1.73 2b37A1 ARG 45 HG2 -0.01 0.01 0.01 -0.04 1.67 1.64 2b37A1 ARG 45 HG3 -0.01 0.04 0.06 -0.04 1.67 1.73 2b37A1 ARG 45 HD2 -0.01 0.04 -0.01 -0.04 3.22 3.21 2b37A1 ARG 45 HD3 -0.01 0.00 -0.01 -0.04 3.22 3.16 2b37A1 LEU 46 H -0.01 0.07 -0.23 -0.55 8.37 7.66 2b37A1 LEU 46 HA -0.01 0.14 0.53 -0.75 4.35 4.26 2b37A1 LEU 46 HB2 -0.01 -0.06 0.11 -0.04 1.64 1.64 2b37A1 LEU 46 HB3 -0.01 0.03 0.15 -0.04 1.64 1.77 2b37A1 LEU 46 HG -0.01 0.02 -0.01 -0.04 1.64 1.60 2b37A1 LEU 46 HD13 -0.01 0.00 0.02 -0.04 0.93 0.90 2b37A1 LEU 46 HD23 -0.01 0.02 -0.01 -0.04 0.89 0.86 2b37A1 ILE 47 H 0.00 0.44 0.02 -0.55 8.25 8.16 2b37A1 ILE 47 HA 0.02 0.07 0.35 -0.75 4.18 3.86 2b37A1 ILE 47 HB 0.05 0.04 -0.06 -0.04 1.89 1.88 2b37A1 ILE 47 HG12 0.01 0.06 -0.03 -0.04 1.49 1.49 2b37A1 ILE 47 HG13 0.03 0.06 -0.26 -0.04 1.21 1.00 2b37A1 ILE 47 HG23 0.03 0.04 0.10 -0.04 0.93 1.06 2b37A1 ILE 47 HD13 0.03 -0.03 -0.19 -0.04 0.88 0.66 2b37A1 GLN 48 H 0.01 0.18 -0.59 -0.55 8.47 7.53 2b37A1 GLN 48 HA 0.03 0.07 0.45 -0.75 4.36 4.15 2b37A1 GLN 48 HB2 0.01 0.04 0.16 -0.04 2.15 2.31 2b37A1 GLN 48 HB3 0.01 0.05 -0.05 -0.04 2.02 1.99 2b37A1 GLN 48 HG2 0.01 0.02 0.02 -0.04 2.40 2.41 2b37A1 GLN 48 HG3 0.01 -0.03 -0.00 -0.04 2.39 2.32 2b37A1 GLN 48 HE21 0.01 0.03 0.01 -0.04 6.97 6.98 2b37A1 GLN 48 HE22 0.01 0.01 -0.00 -0.04 7.69 7.66 2b37A1 ARG 49 H 0.01 0.33 -0.28 -0.55 8.46 7.97 2b37A1 ARG 49 HA 0.01 0.07 0.41 -0.75 4.34 4.09 2b37A1 ARG 49 HB2 0.00 0.00 0.13 -0.04 1.90 1.99 2b37A1 ARG 49 HB3 -0.00 0.14 0.16 -0.04 1.80 2.05 2b37A1 ARG 49 HG2 -0.01 -0.02 -0.08 -0.04 1.67 1.52 2b37A1 ARG 49 HG3 0.00 0.01 0.09 -0.04 1.67 1.73 2b37A1 ARG 49 HD2 -0.00 -0.01 0.00 -0.04 3.22 3.17 2b37A1 ARG 49 HD3 -0.00 0.00 0.02 -0.04 3.22 3.20 2b37A1 ILE 50 H 0.02 0.16 -0.37 -0.55 8.25 7.51 2b37A1 ILE 50 HA -0.01 0.13 0.66 -0.75 4.18 4.21 2b37A1 ILE 50 HB 0.02 0.05 -0.08 -0.04 1.89 1.83 2b37A1 ILE 50 HG12 -0.05 0.02 -0.10 -0.04 1.49 1.32 2b37A1 ILE 50 HG13 -0.02 0.15 -0.09 -0.04 1.21 1.21 2b37A1 ILE 50 HG23 -0.19 -0.04 -0.30 -0.04 0.93 0.35 2b37A1 ILE 50 HD13 -0.06 0.03 0.01 -0.04 0.88 0.82 2b37A1 THR 51 H 0.08 0.59 -0.09 -0.55 8.28 8.31 2b37A1 THR 51 HA 0.20 0.01 0.37 -0.75 4.39 4.22 2b37A1 THR 51 HB 0.05 0.00 0.04 -0.04 4.32 4.37 2b37A1 THR 51 HG23 0.08 0.04 -0.00 -0.04 1.22 1.29 2b37A1 ASP 52 H 0.06 0.30 -0.38 -0.55 8.40 7.82 2b37A1 ASP 52 HA 0.03 0.03 0.34 -0.75 4.63 4.29 2b37A1 ASP 52 HB2 0.03 0.10 0.00 -0.04 2.71 2.79 2b37A1 ASP 52 HB3 0.02 -0.03 0.04 -0.04 2.70 2.70 2b37A1 ARG 53 H 0.12 0.29 -0.72 -0.55 8.46 7.59 2b37A1 ARG 53 HA 0.07 0.11 0.55 -0.75 4.34 4.31 2b37A1 ARG 53 HB2 0.19 0.06 0.03 -0.04 1.90 2.13 2b37A1 ARG 53 HB3 0.10 -0.08 0.12 -0.04 1.80 1.90 2b37A1 ARG 53 HG2 0.03 -0.01 -0.07 -0.04 1.67 1.58 2b37A1 ARG 53 HG3 0.03 0.11 0.11 -0.04 1.67 1.88 2b37A1 ARG 53 HD2 -0.00 -0.02 0.01 -0.04 3.22 3.16 2b37A1 ARG 53 HD3 -0.02 -0.05 0.02 -0.04 3.22 3.12 2b37A1 LEU 54 H 0.09 0.45 -0.40 -0.55 8.37 7.96 2b37A1 LEU 54 HA -0.12 -0.01 0.56 -0.75 4.35 4.03 2b37A1 LEU 54 HB2 -0.03 0.24 0.05 -0.04 1.64 1.86 2b37A1 LEU 54 HB3 -0.12 -0.06 0.07 -0.04 1.64 1.49 2b37A1 LEU 54 HG -0.01 -0.03 0.07 -0.04 1.64 1.63 2b37A1 LEU 54 HD13 -0.07 -0.01 -0.03 -0.04 0.93 0.77 2b37A1 LEU 54 HD23 -0.77 -0.03 -0.06 -0.04 0.89 -0.01 2b37A1 PRO 55 HA -0.02 0.03 0.38 -0.51 4.44 4.32 2b37A1 PRO 55 HB2 -0.04 0.04 -0.05 -0.04 2.28 2.20 2b37A1 PRO 55 HB3 -0.03 -0.00 0.06 -0.04 2.02 2.01 2b37A1 PRO 55 HG2 -0.07 0.15 0.11 -0.04 2.03 2.18 2b37A1 PRO 55 HG3 -0.06 -0.01 0.09 -0.04 2.03 2.01 2b37A1 PRO 55 HD2 -0.13 0.10 0.22 -0.04 3.68 3.82 2b37A1 PRO 55 HD3 -0.14 0.07 0.22 -0.04 3.65 3.76 2b37A1 ALA 56 H -0.04 0.16 -0.25 -0.55 8.40 7.72 2b37A1 ALA 56 HA -0.01 0.12 0.66 -0.75 4.34 4.36 2b37A1 ALA 56 HB3 -0.01 0.01 -0.03 -0.04 1.41 1.34 2b37A1 LYS 57 H -0.00 0.07 0.11 -0.55 8.42 8.04 2b37A1 LYS 57 HA 0.00 0.15 0.50 -0.75 4.32 4.22 2b37A1 LYS 57 HB2 0.01 -0.05 0.07 -0.04 1.87 1.86 2b37A1 LYS 57 HB3 0.01 0.03 0.06 -0.04 1.79 1.84 2b37A1 LYS 57 HG2 0.00 -0.01 0.07 -0.04 1.46 1.47 2b37A1 LYS 57 HG3 0.00 0.04 -0.17 -0.04 1.46 1.30 2b37A1 LYS 57 HD2 0.00 -0.02 -0.04 -0.04 1.69 1.59 2b37A1 LYS 57 HD3 0.00 -0.01 -0.00 -0.04 1.68 1.63 2b37A1 LYS 57 HE2 0.00 -0.01 -0.01 -0.04 2.99 2.93 2b37A1 LYS 57 HE3 0.00 0.04 -0.07 -0.04 2.99 2.92 2b37A1 ALA 58 H 0.01 0.16 0.15 -0.55 8.40 8.18 2b37A1 ALA 58 HA 0.00 0.23 0.61 -0.75 4.34 4.43 2b37A1 ALA 58 HB3 -0.00 0.05 -0.18 -0.04 1.41 1.23 2b37A1 PRO 59 HA 0.01 0.02 0.44 -0.51 4.44 4.39 2b37A1 PRO 59 HB2 0.00 -0.01 0.22 -0.04 2.28 2.45 2b37A1 PRO 59 HB3 0.00 0.02 0.15 -0.04 2.02 2.15 2b37A1 PRO 59 HG2 0.00 0.18 0.10 -0.04 2.03 2.27 2b37A1 PRO 59 HG3 0.00 0.02 0.12 -0.04 2.03 2.14 2b37A1 PRO 59 HD2 0.00 0.35 0.28 -0.04 3.68 4.27 2b37A1 PRO 59 HD3 0.00 0.12 0.16 -0.04 3.65 3.89 2b37A1 LEU 60 H 0.01 0.37 0.45 -0.55 8.37 8.65 2b37A1 LEU 60 HA 0.02 0.08 0.32 -0.75 4.35 4.02 2b37A1 LEU 60 HB2 0.02 0.05 0.11 -0.04 1.64 1.79 2b37A1 LEU 60 HB3 0.02 -0.05 0.07 -0.04 1.64 1.63 2b37A1 LEU 60 HG 0.03 -0.03 -0.25 -0.04 1.64 1.35 2b37A1 LEU 60 HD13 0.03 -0.02 -0.19 -0.04 0.93 0.71 2b37A1 LEU 60 HD23 0.02 -0.00 -0.43 -0.04 0.89 0.44 2b37A1 LEU 61 H 0.02 0.36 0.35 -0.55 8.37 8.56 2b37A1 LEU 61 HA 0.01 0.12 0.91 -0.75 4.35 4.64 2b37A1 LEU 61 HB2 0.02 0.03 0.06 -0.04 1.64 1.71 2b37A1 LEU 61 HB3 0.02 0.00 -0.02 -0.04 1.64 1.61 2b37A1 LEU 61 HG 0.01 0.31 -0.20 -0.04 1.64 1.72 2b37A1 LEU 61 HD13 0.00 -0.00 -0.18 -0.04 0.93 0.71 2b37A1 LEU 61 HD23 -0.00 0.02 0.03 -0.04 0.89 0.90 2b37A1 GLU 62 H 0.02 0.16 0.16 -0.55 8.60 8.39 2b37A1 GLU 62 HA 0.07 0.14 0.59 -0.75 4.29 4.34 2b37A1 GLU 62 HB2 0.03 -0.01 0.12 -0.04 2.09 2.18 2b37A1 GLU 62 HB3 0.02 -0.00 0.15 -0.04 1.99 2.12 2b37A1 GLU 62 HG2 0.32 -0.08 -0.05 -0.04 2.34 2.48 2b37A1 GLU 62 HG3 0.09 0.09 0.07 -0.04 2.34 2.56 2b37A1 LEU 63 H 0.13 0.94 0.31 -0.55 8.37 9.21 2b37A1 LEU 63 HA 0.23 0.07 0.50 -0.75 4.35 4.39 2b37A1 LEU 63 HB2 0.08 0.19 -0.21 -0.04 1.64 1.66 2b37A1 LEU 63 HB3 0.07 -0.09 -0.06 -0.04 1.64 1.51 2b37A1 LEU 63 HG 0.03 -0.14 -0.24 -0.04 1.64 1.25 2b37A1 LEU 63 HD13 0.07 0.02 -0.24 -0.04 0.93 0.75 2b37A1 LEU 63 HD23 0.03 0.01 -0.12 -0.04 0.89 0.77 2b37A1 ASP 64 H -0.10 0.20 0.06 -0.55 8.40 8.01 2b37A1 ASP 64 HA 0.11 0.07 0.75 -0.75 4.63 4.80 2b37A1 ASP 64 HB2 0.03 0.13 0.09 -0.04 2.71 2.92 2b37A1 ASP 64 HB3 -0.62 0.01 0.19 -0.04 2.70 2.24 2b37A1 VAL 65 H -0.12 0.21 0.03 -0.55 8.24 7.80 2b37A1 VAL 65 HA 0.01 0.17 0.17 -0.75 4.13 3.72 2b37A1 VAL 65 HB 0.08 0.04 0.03 -0.04 2.12 2.24 2b37A1 VAL 65 HG13 -0.01 0.04 -0.06 -0.04 0.97 0.89 2b37A1 VAL 65 HG23 -0.08 0.01 -0.14 -0.04 0.95 0.71 2b37A1 GLN 66 H -0.18 -0.02 -0.39 -0.55 8.47 7.34 2b37A1 GLN 66 HA -0.31 0.19 0.59 -0.75 4.36 4.08 2b37A1 GLN 66 HB2 -0.25 -0.06 -0.01 -0.04 2.15 1.79 2b37A1 GLN 66 HB3 -0.26 0.01 -0.01 -0.04 2.02 1.71 2b37A1 GLN 66 HG2 -1.45 0.04 -0.02 -0.04 2.40 0.93 2b37A1 GLN 66 HG3 -0.59 -0.03 -0.13 -0.04 2.39 1.60 2b37A1 GLN 66 HE21 -0.16 -0.01 0.02 -0.04 6.97 6.77 2b37A1 GLN 66 HE22 -0.29 0.01 0.01 -0.04 7.69 7.38 2b37A1 ASN 67 H -0.13 0.36 -0.30 -0.55 8.53 7.92 2b37A1 ASN 67 HA -0.02 0.11 0.74 -0.75 4.76 4.84 2b37A1 ASN 67 HB2 -0.21 -0.01 0.04 -0.04 2.88 2.66 2b37A1 ASN 67 HB3 -0.35 0.08 0.15 -0.04 2.79 2.63 2b37A1 ASN 67 HD21 0.11 0.03 0.01 -0.04 7.03 7.14 2b37A1 ASN 67 HD22 0.02 0.03 0.00 -0.04 7.74 7.75 2b37A1 GLU 68 H 0.05 0.18 0.17 -0.55 8.60 8.45 2b37A1 GLU 68 HA 0.08 0.16 0.25 -0.75 4.29 4.02 2b37A1 GLU 68 HB2 0.05 0.03 0.17 -0.04 2.09 2.29 2b37A1 GLU 68 HB3 0.05 0.01 0.06 -0.04 1.99 2.07 2b37A1 GLU 68 HG2 0.05 0.03 0.01 -0.04 2.34 2.39 2b37A1 GLU 68 HG3 0.05 0.01 0.00 -0.04 2.34 2.37 2b37A1 GLU 69 H 0.08 0.08 -0.01 -0.55 8.60 8.21 2b37A1 GLU 69 HA 0.04 0.09 0.38 -0.75 4.29 4.05 2b37A1 GLU 69 HB2 0.09 -0.03 0.02 -0.04 2.09 2.13 2b37A1 GLU 69 HB3 0.01 0.07 0.00 -0.04 1.99 2.03 2b37A1 GLU 69 HG2 0.03 0.06 0.04 -0.04 2.34 2.42 2b37A1 GLU 69 HG3 0.04 -0.07 0.08 -0.04 2.34 2.35 2b37A1 HIS 70 H 0.29 0.06 -0.47 -0.55 8.41 7.74 2b37A1 HIS 70 HA 0.01 0.06 0.42 -0.75 4.63 4.37 2b37A1 HIS 70 HB2 0.03 0.29 0.10 -0.04 3.26 3.63 2b37A1 HIS 70 HB3 0.03 0.03 -0.06 -0.04 3.20 3.15 2b37A1 HIS 70 HD2 0.03 0.03 -0.23 -0.04 6.97 6.76 2b37A1 HIS 70 HE1 -0.00 0.00 -0.00 -0.04 7.75 7.70 2b37A1 LEU 71 H 0.12 0.32 -0.18 -0.55 8.37 8.08 2b37A1 LEU 71 HA 0.06 0.07 0.50 -0.75 4.35 4.24 2b37A1 LEU 71 HB2 0.07 0.05 0.16 -0.04 1.64 1.88 2b37A1 LEU 71 HB3 0.05 0.03 -0.06 -0.04 1.64 1.63 2b37A1 LEU 71 HG 0.08 -0.02 -0.10 -0.04 1.64 1.56 2b37A1 LEU 71 HD13 0.06 -0.01 -0.15 -0.04 0.93 0.79 2b37A1 LEU 71 HD23 0.09 0.02 -0.12 -0.04 0.89 0.84 2b37A1 ALA 72 H 0.05 0.45 0.04 -0.55 8.40 8.40 2b37A1 ALA 72 HA 0.02 0.05 0.35 -0.75 4.34 4.01 2b37A1 ALA 72 HB3 0.02 -0.02 0.07 -0.04 1.41 1.44 2b37A1 SER 73 H 0.01 0.46 -0.17 -0.55 8.46 8.22 2b37A1 SER 73 HA -0.00 0.00 0.45 -0.75 4.49 4.19 2b37A1 SER 73 HB2 -0.03 -0.05 0.00 -0.04 3.95 3.83 2b37A1 SER 73 HB3 -0.03 -0.06 0.09 -0.04 3.93 3.89 2b37A1 LEU 74 H 0.02 0.44 -0.21 -0.55 8.37 8.08 2b37A1 LEU 74 HA 0.01 -0.07 0.31 -0.75 4.35 3.84 2b37A1 LEU 74 HB2 0.04 0.20 0.33 -0.04 1.64 2.17 2b37A1 LEU 74 HB3 0.02 0.12 0.17 -0.04 1.64 1.91 2b37A1 LEU 74 HG 0.03 -0.09 -0.05 -0.04 1.64 1.49 2b37A1 LEU 74 HD13 0.00 0.00 -0.31 -0.04 0.93 0.58 2b37A1 LEU 74 HD23 0.03 -0.03 -0.04 -0.04 0.89 0.81 2b37A1 ALA 75 H 0.00 0.30 -0.06 -0.55 8.40 8.10 2b37A1 ALA 75 HA -0.01 0.02 0.40 -0.75 4.34 4.00 2b37A1 ALA 75 HB3 -0.01 0.12 0.20 -0.04 1.41 1.68 2b37A1 GLY 76 H -0.00 0.36 0.11 -0.55 8.43 8.36 2b37A1 GLY 76 HA2 -0.00 0.01 0.38 -0.51 4.01 3.89 2b37A1 GLY 76 HA3 -0.00 0.02 0.34 -0.51 4.01 3.85 2b37A1 ARG 77 H -0.01 0.40 -0.36 -0.55 8.46 7.95 2b37A1 ARG 77 HA -0.01 0.01 0.53 -0.75 4.34 4.11 2b37A1 ARG 77 HB2 -0.01 0.19 -0.01 -0.04 1.90 2.04 2b37A1 ARG 77 HB3 -0.01 -0.02 -0.01 -0.04 1.80 1.71 2b37A1 ARG 77 HG2 -0.02 -0.03 -0.03 -0.04 1.67 1.55 2b37A1 ARG 77 HG3 -0.02 0.01 -0.16 -0.04 1.67 1.46 2b37A1 ARG 77 HD2 -0.03 -0.00 -0.00 -0.04 3.22 3.14 2b37A1 ARG 77 HD3 -0.05 -0.06 -0.02 -0.04 3.22 3.05 2b37A1 VAL 78 H -0.00 0.55 -0.11 -0.55 8.24 8.12 2b37A1 VAL 78 HA -0.00 0.01 0.40 -0.75 4.13 3.79 2b37A1 VAL 78 HB -0.01 0.21 0.14 -0.04 2.12 2.42 2b37A1 VAL 78 HG13 -0.00 -0.01 -0.09 -0.04 0.97 0.82 2b37A1 VAL 78 HG23 -0.00 0.07 -0.02 -0.04 0.95 0.96 2b37A1 THR 79 H -0.00 0.35 -0.14 -0.55 8.28 7.93 2b37A1 THR 79 HA -0.00 0.18 0.40 -0.75 4.39 4.22 2b37A1 THR 79 HB -0.00 0.14 0.11 -0.04 4.32 4.53 2b37A1 THR 79 HG23 0.00 -0.02 -0.04 -0.04 1.22 1.12 2b37A1 GLU 80 H -0.00 0.36 -0.30 -0.55 8.60 8.11 2b37A1 GLU 80 HA -0.00 -0.04 0.43 -0.75 4.29 3.93 2b37A1 GLU 80 HB2 -0.00 0.22 0.16 -0.04 2.09 2.42 2b37A1 GLU 80 HB3 -0.00 -0.06 0.03 -0.04 1.99 1.92 2b37A1 GLU 80 HG2 -0.00 0.08 0.08 -0.04 2.34 2.45 2b37A1 GLU 80 HG3 -0.01 -0.06 0.04 -0.04 2.34 2.28 2b37A1 ALA 81 H -0.00 0.31 -0.49 -0.55 8.40 7.67 2b37A1 ALA 81 HA -0.00 0.05 0.52 -0.75 4.34 4.15 2b37A1 ALA 81 HB3 0.00 0.02 0.08 -0.04 1.41 1.47 2b37A1 ILE 82 H -0.00 0.30 -0.09 -0.55 8.25 7.91 2b37A1 ILE 82 HA 0.00 0.14 0.86 -0.75 4.18 4.42 2b37A1 ILE 82 HB 0.00 -0.02 0.09 -0.04 1.89 1.92 2b37A1 ILE 82 HG12 -0.00 0.15 0.03 -0.04 1.49 1.62 2b37A1 ILE 82 HG13 -0.00 0.18 -0.09 -0.04 1.21 1.26 2b37A1 ILE 82 HG23 0.00 -0.03 -0.13 -0.04 0.93 0.73 2b37A1 ILE 82 HD13 -0.00 -0.04 -0.26 -0.04 0.88 0.54 2b37A1 GLY 83 H -0.00 0.07 -0.32 -0.55 8.43 7.63 2b37A1 GLY 83 HA2 -0.00 -0.11 0.36 -0.51 4.01 3.75 2b37A1 GLY 83 HA3 0.00 0.10 0.62 -0.51 4.01 4.23 2b37A1 ALA 84 H 0.00 -0.02 0.12 -0.55 8.40 7.96 2b37A1 ALA 84 HA 0.00 0.08 0.43 -0.75 4.34 4.10 2b37A1 ALA 84 HB3 0.00 -0.02 0.09 -0.04 1.41 1.44 2b37A1 GLY 85 H 0.00 0.10 0.15 -0.55 8.43 8.14 2b37A1 GLY 85 HA2 0.00 -0.03 0.32 -0.51 4.01 3.80 2b37A1 GLY 85 HA3 0.00 0.02 0.42 -0.51 4.01 3.95 2b37A1 ASN 86 H 0.00 0.26 -0.37 -0.55 8.53 7.87 2b37A1 ASN 86 HA 0.00 0.06 0.68 -0.75 4.76 4.75 2b37A1 ASN 86 HB2 0.00 0.35 -0.02 -0.04 2.88 3.17 2b37A1 ASN 86 HB3 0.00 -0.02 -0.01 -0.04 2.79 2.72 2b37A1 ASN 86 HD21 0.00 -0.17 0.02 -0.04 7.03 6.85 2b37A1 ASN 86 HD22 0.00 0.52 0.12 -0.04 7.74 8.33 2b37A1 LYS 87 H 0.00 0.13 0.07 -0.55 8.42 8.07 2b37A1 LYS 87 HA -0.00 0.22 0.91 -0.75 4.32 4.69 2b37A1 LYS 87 HB2 0.00 -0.03 -0.21 -0.04 1.87 1.59 2b37A1 LYS 87 HB3 -0.00 0.17 -0.34 -0.04 1.79 1.57 2b37A1 LYS 87 HG2 0.01 -0.02 -0.34 -0.04 1.46 1.07 2b37A1 LYS 87 HG3 0.01 -0.07 -0.25 -0.04 1.46 1.11 2b37A1 LYS 87 HD2 0.02 -0.10 -0.11 -0.04 1.69 1.46 2b37A1 LYS 87 HD3 0.02 0.08 -0.28 -0.04 1.68 1.47 2b37A1 LYS 87 HE2 0.02 -0.01 -0.22 -0.04 2.99 2.74 2b37A1 LYS 87 HE3 0.02 -0.12 -0.01 -0.04 2.99 2.84 2b37A1 LEU 88 H -0.01 0.84 0.42 -0.55 8.37 9.07 2b37A1 LEU 88 HA -0.01 0.10 0.85 -0.75 4.35 4.55 2b37A1 LEU 88 HB2 -0.03 0.13 0.16 -0.04 1.64 1.87 2b37A1 LEU 88 HB3 -0.02 0.02 -0.03 -0.04 1.64 1.58 2b37A1 LEU 88 HG -0.01 -0.00 -0.06 -0.04 1.64 1.53 2b37A1 LEU 88 HD13 -0.02 -0.02 -0.04 -0.04 0.93 0.82 2b37A1 LEU 88 HD23 -0.00 -0.00 -0.09 -0.04 0.89 0.75 2b37A1 ASP 89 H -0.00 0.35 0.42 -0.55 8.40 8.63 2b37A1 ASP 89 HA -0.00 0.13 0.73 -0.75 4.63 4.73 2b37A1 ASP 89 HB2 0.00 -0.08 0.15 -0.04 2.71 2.74 2b37A1 ASP 89 HB3 0.00 0.09 0.08 -0.04 2.70 2.83 2b37A1 GLY 90 H 0.00 0.34 0.25 -0.55 8.43 8.48 2b37A1 GLY 90 HA2 0.00 0.28 0.99 -0.51 4.01 4.78 2b37A1 GLY 90 HA3 0.01 -0.00 0.32 -0.51 4.01 3.83 2b37A1 VAL 91 H 0.01 0.71 0.44 -0.55 8.24 8.85 2b37A1 VAL 91 HA 0.01 0.10 0.77 -0.75 4.13 4.25 2b37A1 VAL 91 HB -0.02 0.01 0.02 -0.04 2.12 2.08 2b37A1 VAL 91 HG13 0.00 -0.05 -0.30 -0.04 0.97 0.58 2b37A1 VAL 91 HG23 -0.03 0.01 -0.19 -0.04 0.95 0.71 2b37A1 VAL 92 H 0.04 0.36 0.14 -0.55 8.24 8.22 2b37A1 VAL 92 HA 0.10 0.31 1.13 -0.75 4.13 4.92 2b37A1 VAL 92 HB 0.05 -0.14 0.22 -0.04 2.12 2.21 2b37A1 VAL 92 HG13 0.08 -0.01 -0.11 -0.04 0.97 0.89 2b37A1 VAL 92 HG23 0.04 0.07 -0.21 -0.04 0.95 0.81 2b37A1 HIS 93 H 0.25 0.45 0.08 -0.55 8.41 8.64 2b37A1 HIS 93 HA 0.07 0.05 0.76 -0.75 4.63 4.76 2b37A1 HIS 93 HB2 0.09 0.06 -0.00 -0.04 3.26 3.37 2b37A1 HIS 93 HB3 0.36 -0.01 0.16 -0.04 3.20 3.66 2b37A1 HIS 93 HD2 0.07 0.11 -0.05 -0.04 6.97 7.06 2b37A1 HIS 93 HE1 0.11 0.26 0.05 -0.04 7.75 8.13 2b37A1 SER 94 H -0.05 0.22 -0.13 -0.55 8.46 7.96 2b37A1 SER 94 HA 0.10 0.12 0.86 -0.75 4.49 4.81 2b37A1 SER 94 HB2 0.07 0.09 -0.10 -0.04 3.95 3.96 2b37A1 SER 94 HB3 0.04 0.19 0.17 -0.04 3.93 4.28 2b37A1 ILE 95 H -0.05 0.34 -0.09 -0.55 8.25 7.90 2b37A1 ILE 95 HA -0.04 0.12 0.95 -0.75 4.18 4.45 2b37A1 ILE 95 HB -0.55 0.06 -0.03 -0.04 1.89 1.33 2b37A1 ILE 95 HG12 -0.11 -0.02 -0.02 -0.04 1.49 1.30 2b37A1 ILE 95 HG13 -0.16 -0.08 -0.58 -0.04 1.21 0.35 2b37A1 ILE 95 HG23 -0.08 -0.00 -0.28 -0.04 0.93 0.52 2b37A1 ILE 95 HD13 -0.19 0.00 -0.07 -0.04 0.88 0.58 2b37A1 GLY 96 H 0.03 0.25 0.18 -0.55 8.43 8.35 2b37A1 GLY 96 HA2 0.10 0.16 0.51 -0.51 4.01 4.27 2b37A1 GLY 96 HA3 0.08 0.04 0.25 -0.51 4.01 3.87 2b37A1 PHE 97 H 0.11 0.32 0.10 -0.55 8.34 8.32 2b37A1 PHE 97 HA -0.03 0.06 0.52 -0.75 4.62 4.42 2b37A1 PHE 97 HB2 -0.11 0.10 -0.17 -0.04 3.15 2.94 2b37A1 PHE 97 HB3 -0.09 -0.02 -0.05 -0.04 3.06 2.86 2b37A1 PHE 97 HD2 -0.06 0.04 -0.17 -0.04 7.28 7.05 2b37A1 PHE 97 HE2 -0.03 -0.01 -0.07 -0.04 7.38 7.23 2b37A1 PHE 97 HZ -0.02 -0.03 -0.05 -0.04 7.32 7.19 2b37A1 MET 98 H -0.68 0.30 0.06 -0.55 8.47 7.60 2b37A1 MET 98 HA -0.20 0.14 0.67 -0.75 4.52 4.38 2b37A1 MET 98 HB2 -0.11 0.04 -0.16 -0.04 2.15 1.89 2b37A1 MET 98 HB3 -0.18 -0.03 0.00 -0.04 2.03 1.78 2b37A1 MET 98 HG2 -0.01 -0.06 -0.22 -0.04 2.63 2.30 2b37A1 MET 98 HG3 -0.09 0.13 -0.24 -0.04 2.56 2.32 2b37A1 MET 98 HE3 0.05 0.04 -0.12 -0.04 2.10 2.03 2b37A1 PRO 99 HA -0.30 0.09 0.61 -0.51 4.44 4.33 2b37A1 PRO 99 HB2 -0.08 -0.09 0.03 -0.04 2.28 2.10 2b37A1 PRO 99 HB3 -0.01 0.05 0.14 -0.04 2.02 2.16 2b37A1 PRO 99 HG2 -0.01 0.08 0.16 -0.04 2.03 2.22 2b37A1 PRO 99 HG3 0.21 0.04 0.07 -0.04 2.03 2.31 2b37A1 PRO 99 HD2 -0.11 0.21 0.22 -0.04 3.68 3.96 2b37A1 PRO 99 HD3 -0.03 0.13 0.02 -0.04 3.65 3.73 2b37A1 GLN 100 H -0.09 0.15 0.20 -0.55 8.47 8.18 2b37A1 GLN 100 HA -0.06 0.23 0.39 -0.75 4.36 4.17 2b37A1 GLN 100 HB2 -0.02 -0.01 0.05 -0.04 2.15 2.13 2b37A1 GLN 100 HB3 -0.02 0.02 0.13 -0.04 2.02 2.12 2b37A1 GLN 100 HG2 -0.04 -0.07 0.17 -0.04 2.40 2.42 2b37A1 GLN 100 HG3 -0.01 0.02 0.08 -0.04 2.39 2.44 2b37A1 GLN 100 HE21 -0.03 0.02 0.04 -0.04 6.97 6.96 2b37A1 GLN 100 HE22 -0.02 -0.02 0.06 -0.04 7.69 7.67 2b37A1 THR 101 H -0.05 -0.04 -0.50 -0.55 8.28 7.14 2b37A1 THR 101 HA -0.01 0.07 0.30 -0.75 4.39 3.99 2b37A1 THR 101 HB -0.07 -0.09 0.00 -0.04 4.32 4.12 2b37A1 THR 101 HG23 -0.09 0.05 -0.10 -0.04 1.22 1.04 2b37A1 GLY 102 H -0.05 0.40 -0.30 -0.55 8.43 7.94 2b37A1 GLY 102 HA2 0.15 0.27 0.72 -0.51 4.01 4.64 2b37A1 GLY 102 HA3 -0.06 -0.08 0.24 -0.51 4.01 3.61 2b37A1 MET 103 H 0.04 0.47 -0.32 -0.55 8.47 8.11 2b37A1 MET 103 HA 0.08 0.13 0.69 -0.75 4.52 4.66 2b37A1 MET 103 HB2 -0.03 -0.06 -0.35 -0.04 2.15 1.67 2b37A1 MET 103 HB3 -0.06 0.03 -0.15 -0.04 2.03 1.81 2b37A1 MET 103 HG2 -0.02 0.02 -0.23 -0.04 2.63 2.37 2b37A1 MET 103 HG3 -0.11 0.05 0.02 -0.04 2.56 2.47 2b37A1 MET 103 HE3 -0.11 0.02 -0.11 -0.04 2.10 1.85 2b37A1 GLY 104 H 0.06 0.82 0.22 -0.55 8.43 8.98 2b37A1 GLY 104 HA2 0.04 -0.03 0.32 -0.51 4.01 3.83 2b37A1 GLY 104 HA3 0.02 0.10 0.92 -0.51 4.01 4.54 2b37A1 ILE 105 H 0.03 0.16 0.16 -0.55 8.25 8.05 2b37A1 ILE 105 HA 0.04 0.13 0.59 -0.75 4.18 4.18 2b37A1 ILE 105 HB 0.02 -0.02 0.06 -0.04 1.89 1.91 2b37A1 ILE 105 HG12 0.02 -0.00 0.02 -0.04 1.49 1.49 2b37A1 ILE 105 HG13 0.03 0.02 -0.05 -0.04 1.21 1.17 2b37A1 ILE 105 HG23 0.02 0.01 0.03 -0.04 0.93 0.95 2b37A1 ILE 105 HD13 0.02 0.00 0.09 -0.04 0.88 0.96 2b37A1 ASN 106 H 0.04 0.08 -0.22 -0.55 8.53 7.89 2b37A1 ASN 106 HA 0.05 0.05 0.34 -0.75 4.76 4.44 2b37A1 ASN 106 HB2 0.04 -0.06 0.02 -0.04 2.88 2.83 2b37A1 ASN 106 HB3 0.07 0.08 -0.14 -0.04 2.79 2.76 2b37A1 ASN 106 HD21 0.04 -0.02 -0.12 -0.04 7.03 6.89 2b37A1 ASN 106 HD22 0.07 0.31 -0.10 -0.04 7.74 7.98 2b37A1 PRO 107 HA 0.08 0.01 0.38 -0.51 4.44 4.40 2b37A1 PRO 107 HB2 0.12 -0.12 0.05 -0.04 2.28 2.29 2b37A1 PRO 107 HB3 0.09 0.01 0.11 -0.04 2.02 2.19 2b37A1 PRO 107 HG2 0.07 0.04 0.10 -0.04 2.03 2.19 2b37A1 PRO 107 HG3 0.06 0.07 0.13 -0.04 2.03 2.25 2b37A1 PRO 107 HD2 0.06 0.08 0.18 -0.04 3.68 3.97 2b37A1 PRO 107 HD3 0.05 0.22 0.24 -0.04 3.65 4.12 2b37A1 PHE 108 H 0.14 0.11 0.17 -0.55 8.34 8.21 2b37A1 PHE 108 HA 0.20 0.12 0.39 -0.75 4.62 4.57 2b37A1 PHE 108 HB2 -0.19 0.01 0.16 -0.04 3.15 3.09 2b37A1 PHE 108 HB3 -0.36 -0.04 0.12 -0.04 3.06 2.73 2b37A1 PHE 108 HD2 -0.41 -0.02 -0.02 -0.04 7.28 6.78 2b37A1 PHE 108 HE2 -0.99 -0.01 -0.12 -0.04 7.38 6.21 2b37A1 PHE 108 HZ -1.31 0.01 -0.04 -0.04 7.32 5.94 2b37A1 PHE 109 H 0.11 0.03 -0.19 -0.55 8.34 7.74 2b37A1 PHE 109 HA 0.10 0.11 0.40 -0.75 4.62 4.48 2b37A1 PHE 109 HB2 0.10 -0.03 0.02 -0.04 3.15 3.20 2b37A1 PHE 109 HB3 0.08 0.03 0.01 -0.04 3.06 3.14 2b37A1 PHE 109 HD2 0.13 0.03 -0.02 -0.04 7.28 7.37 2b37A1 PHE 109 HE2 0.15 0.02 -0.01 -0.04 7.38 7.50 2b37A1 PHE 109 HZ 0.10 0.02 -0.01 -0.04 7.32 7.39 2b37A1 ASP 110 H 0.19 0.33 -0.45 -0.55 8.40 7.93 2b37A1 ASP 110 HA 0.08 0.08 0.44 -0.75 4.63 4.48 2b37A1 ASP 110 HB2 0.09 0.15 0.05 -0.04 2.71 2.95 2b37A1 ASP 110 HB3 0.05 -0.04 0.17 -0.04 2.70 2.84 2b37A1 ALA 111 H 0.04 0.26 -0.60 -0.55 8.40 7.55 2b37A1 ALA 111 HA -0.11 0.16 0.79 -0.75 4.34 4.43 2b37A1 ALA 111 HB3 -0.35 0.04 -0.05 -0.04 1.41 1.01 2b37A1 PRO 112 HA -0.09 0.13 0.53 -0.51 4.44 4.50 2b37A1 PRO 112 HB2 -0.07 -0.18 0.01 -0.04 2.28 1.99 2b37A1 PRO 112 HB3 -0.05 0.12 0.11 -0.04 2.02 2.16 2b37A1 PRO 112 HG2 -0.10 -0.13 0.08 -0.04 2.03 1.85 2b37A1 PRO 112 HG3 -0.05 0.10 0.08 -0.04 2.03 2.11 2b37A1 PRO 112 HD2 -0.10 0.10 0.25 -0.04 3.68 3.89 2b37A1 PRO 112 HD3 -0.06 0.28 0.07 -0.04 3.65 3.91 2b37A1 TYR 113 H 0.01 0.22 0.20 -0.55 8.29 8.17 2b37A1 TYR 113 HA -0.30 0.13 0.40 -0.75 4.56 4.04 2b37A1 TYR 113 HB2 -0.14 0.11 0.16 -0.04 3.06 3.15 2b37A1 TYR 113 HB3 -0.10 0.01 0.14 -0.04 2.98 2.98 2b37A1 TYR 113 HD2 -0.12 0.04 -0.02 -0.04 7.15 7.00 2b37A1 TYR 113 HE2 -0.04 0.05 -0.02 -0.04 6.85 6.81 2b37A1 ALA 114 H -0.04 0.13 -0.13 -0.55 8.40 7.81 2b37A1 ALA 114 HA -0.16 0.09 0.38 -0.75 4.34 3.89 2b37A1 ALA 114 HB3 -0.04 0.03 0.05 -0.04 1.41 1.41 2b37A1 ASP 115 H -0.17 0.25 -0.45 -0.55 8.40 7.49 2b37A1 ASP 115 HA -0.09 0.07 0.58 -0.75 4.63 4.44 2b37A1 ASP 115 HB2 -0.18 0.25 0.06 -0.04 2.71 2.80 2b37A1 ASP 115 HB3 -0.15 -0.04 -0.10 -0.04 2.70 2.37 2b37A1 VAL 116 H -0.37 0.29 -0.13 -0.55 8.24 7.48 2b37A1 VAL 116 HA -0.26 0.08 0.54 -0.75 4.13 3.75 2b37A1 VAL 116 HB -0.52 0.01 0.18 -0.04 2.12 1.75 2b37A1 VAL 116 HG13 -0.22 -0.00 -0.07 -0.04 0.97 0.64 2b37A1 VAL 116 HG23 -1.06 0.07 -0.09 -0.04 0.95 -0.17 2b37A1 SER 117 H -0.68 0.91 0.15 -0.55 8.46 8.29 2b37A1 SER 117 HA -0.31 0.03 0.42 -0.75 4.49 3.87 2b37A1 SER 117 HB2 -1.40 0.02 0.09 -0.04 3.95 2.63 2b37A1 SER 117 HB3 -0.45 0.05 0.09 -0.04 3.93 3.58 2b37A1 LYS 118 H -0.15 0.29 -0.40 -0.55 8.42 7.61 2b37A1 LYS 118 HA 0.02 0.04 0.51 -0.75 4.32 4.14 2b37A1 LYS 118 HB2 -0.04 0.09 0.12 -0.04 1.87 2.00 2b37A1 LYS 118 HB3 0.02 0.10 0.04 -0.04 1.79 1.91 2b37A1 LYS 118 HG2 -0.00 -0.02 -0.12 -0.04 1.46 1.28 2b37A1 LYS 118 HG3 -0.10 -0.03 0.05 -0.04 1.46 1.34 2b37A1 LYS 118 HD2 -0.04 0.02 0.01 -0.04 1.69 1.64 2b37A1 LYS 118 HD3 0.06 0.00 -0.01 -0.04 1.68 1.69 2b37A1 LYS 118 HE2 -0.35 -0.02 -0.04 -0.04 2.99 2.54 2b37A1 LYS 118 HE3 -0.23 -0.03 -0.02 -0.04 2.99 2.67 2b37A1 GLY 119 H -0.03 0.26 -0.35 -0.55 8.43 7.76 2b37A1 GLY 119 HA2 0.15 0.28 0.67 -0.51 4.01 4.60 2b37A1 GLY 119 HA3 0.02 0.03 0.46 -0.51 4.01 4.01 2b37A1 ILE 120 H 0.00 0.42 -0.07 -0.55 8.25 8.05 2b37A1 ILE 120 HA 0.10 0.06 0.61 -0.75 4.18 4.19 2b37A1 ILE 120 HB 0.01 0.04 0.13 -0.04 1.89 2.04 2b37A1 ILE 120 HG12 0.11 -0.03 -0.00 -0.04 1.49 1.54 2b37A1 ILE 120 HG13 0.07 0.11 -0.02 -0.04 1.21 1.33 2b37A1 ILE 120 HG23 0.10 -0.01 -0.02 -0.04 0.93 0.96 2b37A1 ILE 120 HD13 0.17 -0.00 -0.07 -0.04 0.88 0.93 2b37A1 HIS 121 H 0.11 0.61 -0.06 -0.55 8.41 8.52 2b37A1 HIS 121 HA 0.03 -0.01 0.43 -0.75 4.63 4.32 2b37A1 HIS 121 HB2 -0.08 0.17 0.20 -0.04 3.26 3.52 2b37A1 HIS 121 HB3 -0.04 0.05 0.16 -0.04 3.20 3.32 2b37A1 HIS 121 HD2 0.07 -0.05 -0.19 -0.04 6.97 6.76 2b37A1 HIS 121 HE1 -0.10 0.03 0.02 -0.04 7.75 7.65 2b37A1 ILE 122 H 0.13 0.43 -0.25 -0.55 8.25 8.01 2b37A1 ILE 122 HA 0.08 0.04 0.23 -0.75 4.18 3.78 2b37A1 ILE 122 HB 0.07 0.14 0.03 -0.04 1.89 2.09 2b37A1 ILE 122 HG12 -0.25 -0.12 -0.09 -0.04 1.49 0.99 2b37A1 ILE 122 HG13 -0.13 0.12 0.05 -0.04 1.21 1.21 2b37A1 ILE 122 HG23 -0.12 -0.03 -0.20 -0.04 0.93 0.54 2b37A1 ILE 122 HD13 -0.44 -0.02 -0.05 -0.04 0.88 0.34 2b37A1 SER 123 H 0.14 0.32 -0.22 -0.55 8.46 8.16 2b37A1 SER 123 HA 0.19 0.22 0.61 -0.75 4.49 4.75 2b37A1 SER 123 HB2 0.11 0.06 0.16 -0.04 3.95 4.23 2b37A1 SER 123 HB3 0.11 -0.01 0.08 -0.04 3.93 4.07 2b37A1 ALA 124 H 0.15 0.40 -0.04 -0.55 8.40 8.37 2b37A1 ALA 124 HA 0.06 0.22 0.92 -0.75 4.34 4.78 2b37A1 ALA 124 HB3 0.10 0.04 0.03 -0.04 1.41 1.54 2b37A1 TYR 125 H 0.23 0.52 0.22 -0.55 8.29 8.71 2b37A1 TYR 125 HA 0.04 0.03 0.36 -0.75 4.56 4.24 2b37A1 TYR 125 HB2 -0.03 -0.02 0.11 -0.04 3.06 3.09 2b37A1 TYR 125 HB3 0.00 0.14 0.21 -0.04 2.98 3.29 2b37A1 TYR 125 HD2 0.00 0.05 -0.14 -0.04 7.15 7.01 2b37A1 TYR 125 HE2 -0.01 0.03 -0.03 -0.04 6.85 6.79 2b37A1 SER 126 H 0.29 0.38 -0.30 -0.55 8.46 8.28 2b37A1 SER 126 HA 0.21 -0.02 0.26 -0.75 4.49 4.19 2b37A1 SER 126 HB2 0.20 -0.08 0.05 -0.04 3.95 4.08 2b37A1 SER 126 HB3 0.27 0.19 0.07 -0.04 3.93 4.42 2b37A1 TYR 127 H 0.09 0.43 -0.88 -0.55 8.29 7.39 2b37A1 TYR 127 HA -0.31 0.08 0.59 -0.75 4.56 4.17 2b37A1 TYR 127 HB2 -0.35 0.09 0.04 -0.04 3.06 2.79 2b37A1 TYR 127 HB3 -0.15 0.00 0.05 -0.04 2.98 2.84 2b37A1 TYR 127 HD2 -0.51 -0.00 -0.15 -0.04 7.15 6.44 2b37A1 TYR 127 HE2 -0.04 -0.01 -0.13 -0.04 6.85 6.63 2b37A1 ALA 128 H -0.07 0.26 0.05 -0.55 8.40 8.10 2b37A1 ALA 128 HA -0.14 0.08 0.49 -0.75 4.34 4.02 2b37A1 ALA 128 HB3 -0.26 0.04 0.13 -0.04 1.41 1.27 2b37A1 SER 129 H -0.27 0.44 -0.03 -0.55 8.46 8.05 2b37A1 SER 129 HA -0.08 0.03 0.28 -0.75 4.49 3.97 2b37A1 SER 129 HB2 0.12 -0.00 -0.02 -0.04 3.95 4.01 2b37A1 SER 129 HB3 -0.02 0.03 0.01 -0.04 3.93 3.91 2b37A1 MET 130 H -0.03 0.28 -0.53 -0.55 8.47 7.64 2b37A1 MET 130 HA -0.00 0.02 0.41 -0.75 4.52 4.20 2b37A1 MET 130 HB2 0.09 0.19 0.10 -0.04 2.15 2.49 2b37A1 MET 130 HB3 -0.07 0.10 0.01 -0.04 2.03 2.03 2b37A1 MET 130 HG2 -0.01 0.02 -0.21 -0.04 2.63 2.39 2b37A1 MET 130 HG3 0.02 -0.03 -0.05 -0.04 2.56 2.45 2b37A1 MET 130 HE3 0.02 0.01 -0.13 -0.04 2.10 1.95 2b37A1 ALA 131 H -0.22 0.46 -0.23 -0.55 8.40 7.87 2b37A1 ALA 131 HA -0.17 0.04 0.39 -0.75 4.34 3.85 2b37A1 ALA 131 HB3 -0.21 0.03 0.10 -0.04 1.41 1.29 2b37A1 LYS 132 H -0.10 0.72 -0.08 -0.55 8.42 8.42 2b37A1 LYS 132 HA -0.05 -0.00 0.27 -0.75 4.32 3.79 2b37A1 LYS 132 HB2 -0.05 -0.04 0.03 -0.04 1.87 1.77 2b37A1 LYS 132 HB3 -0.04 0.13 0.14 -0.04 1.79 1.98 2b37A1 LYS 132 HG2 -0.00 0.05 -0.28 -0.04 1.46 1.18 2b37A1 LYS 132 HG3 0.00 -0.04 -0.04 -0.04 1.46 1.34 2b37A1 LYS 132 HD2 0.01 -0.07 -0.04 -0.04 1.69 1.54 2b37A1 LYS 132 HD3 0.02 0.05 -0.06 -0.04 1.68 1.64 2b37A1 LYS 132 HE2 0.04 -0.06 -0.06 -0.04 2.99 2.88 2b37A1 LYS 132 HE3 0.03 0.03 -0.08 -0.04 2.99 2.92 2b37A1 ALA 133 H -0.03 0.49 -0.23 -0.55 8.40 8.07 2b37A1 ALA 133 HA -0.01 -0.01 0.32 -0.75 4.34 3.89 2b37A1 ALA 133 HB3 0.00 -0.02 0.06 -0.04 1.41 1.42 2b37A1 LEU 134 H -0.08 0.45 -0.51 -0.55 8.37 7.67 2b37A1 LEU 134 HA -0.06 0.10 0.74 -0.75 4.35 4.38 2b37A1 LEU 134 HB2 -0.09 0.14 0.03 -0.04 1.64 1.68 2b37A1 LEU 134 HB3 -0.08 -0.02 -0.16 -0.04 1.64 1.35 2b37A1 LEU 134 HG -0.03 -0.08 -0.28 -0.04 1.64 1.21 2b37A1 LEU 134 HD13 -0.03 -0.01 -0.15 -0.04 0.93 0.70 2b37A1 LEU 134 HD23 -0.02 -0.00 -0.10 -0.04 0.89 0.72 2b37A1 LEU 135 H -0.19 0.65 0.11 -0.55 8.37 8.39 2b37A1 LEU 135 HA -0.39 0.03 0.33 -0.75 4.35 3.57 2b37A1 LEU 135 HB2 -0.36 0.05 0.06 -0.04 1.64 1.36 2b37A1 LEU 135 HB3 -1.57 -0.01 -0.09 -0.04 1.64 -0.06 2b37A1 LEU 135 HG -0.32 -0.01 -0.12 -0.04 1.64 1.14 2b37A1 LEU 135 HD13 -0.28 0.00 -0.06 -0.04 0.93 0.54 2b37A1 LEU 135 HD23 -0.14 -0.02 -0.14 -0.04 0.89 0.55 2b37A1 PRO 136 HA 0.11 0.04 0.31 -0.51 4.44 4.39 2b37A1 PRO 136 HB2 -0.01 0.03 -0.05 -0.04 2.28 2.21 2b37A1 PRO 136 HB3 0.05 -0.04 0.05 -0.04 2.02 2.04 2b37A1 PRO 136 HG2 0.00 0.05 -0.01 -0.04 2.03 2.04 2b37A1 PRO 136 HG3 0.08 -0.03 0.03 -0.04 2.03 2.06 2b37A1 PRO 136 HD2 -0.11 0.13 -0.32 -0.04 3.68 3.34 2b37A1 PRO 136 HD3 -0.18 0.05 0.07 -0.04 3.65 3.55 2b37A1 ILE 137 H -0.08 0.31 -0.51 -0.55 8.25 7.42 2b37A1 ILE 137 HA -0.00 0.16 0.89 -0.75 4.18 4.47 2b37A1 ILE 137 HB -0.01 -0.03 0.21 -0.04 1.89 2.01 2b37A1 ILE 137 HG12 -0.04 0.05 0.10 -0.04 1.49 1.56 2b37A1 ILE 137 HG13 -0.04 0.04 0.02 -0.04 1.21 1.19 2b37A1 ILE 137 HG23 -0.01 -0.03 -0.11 -0.04 0.93 0.74 2b37A1 ILE 137 HD13 -0.02 -0.06 0.08 -0.04 0.88 0.85 2b37A1 MET 138 H -0.08 0.62 -0.11 -0.55 8.47 8.36 2b37A1 MET 138 HA -0.03 0.12 1.10 -0.75 4.52 4.96 2b37A1 MET 138 HB2 -0.15 0.06 0.09 -0.04 2.15 2.10 2b37A1 MET 138 HB3 -0.05 0.08 -0.03 -0.04 2.03 1.99 2b37A1 MET 138 HG2 -0.05 0.02 -0.13 -0.04 2.63 2.43 2b37A1 MET 138 HG3 -0.10 0.12 -0.28 -0.04 2.56 2.26 2b37A1 MET 138 HE3 -0.03 0.00 -0.37 -0.04 2.10 1.67 2b37A1 ASN 139 H -0.00 0.50 0.15 -0.55 8.53 8.63 2b37A1 ASN 139 HA 0.03 0.08 0.66 -0.75 4.76 4.78 2b37A1 ASN 139 HB2 0.00 -0.00 -0.02 -0.04 2.88 2.82 2b37A1 ASN 139 HB3 0.01 0.09 -0.01 -0.04 2.79 2.84 2b37A1 ASN 139 HD21 0.00 -0.07 -0.08 -0.04 7.03 6.84 2b37A1 ASN 139 HD22 0.00 0.02 -0.12 -0.04 7.74 7.60 2b37A1 PRO 140 HA 0.04 0.28 0.57 -0.51 4.44 4.82 2b37A1 PRO 140 HB2 0.01 -0.07 0.05 -0.04 2.28 2.22 2b37A1 PRO 140 HB3 0.02 0.01 0.17 -0.04 2.02 2.18 2b37A1 PRO 140 HG2 0.01 -0.08 0.10 -0.04 2.03 2.02 2b37A1 PRO 140 HG3 0.04 0.09 0.11 -0.04 2.03 2.22 2b37A1 PRO 140 HD2 0.02 0.01 0.21 -0.04 3.68 3.88 2b37A1 PRO 140 HD3 0.04 0.14 0.26 -0.04 3.65 4.05 2b37A1 GLY 141 H 0.01 0.64 0.43 -0.55 8.43 8.97 2b37A1 GLY 141 HA2 -0.01 -0.05 0.43 -0.51 4.01 3.87 2b37A1 GLY 141 HA3 -0.02 -0.01 0.64 -0.51 4.01 4.11 2b37A1 GLY 142 H 0.01 0.17 -0.04 -0.55 8.43 8.02 2b37A1 GLY 142 HA2 -0.00 0.12 0.61 -0.51 4.01 4.22 2b37A1 GLY 142 HA3 0.00 0.09 0.40 -0.51 4.01 3.99 2b37A1 SER 143 H 0.01 0.46 0.45 -0.55 8.46 8.83 2b37A1 SER 143 HA 0.02 0.13 1.08 -0.75 4.49 4.97 2b37A1 SER 143 HB2 0.02 0.13 -0.12 -0.04 3.95 3.94 2b37A1 SER 143 HB3 0.03 -0.13 0.15 -0.04 3.93 3.93 2b37A1 ILE 144 H 0.03 0.87 0.45 -0.55 8.25 9.05 2b37A1 ILE 144 HA 0.03 0.25 1.05 -0.75 4.18 4.76 2b37A1 ILE 144 HB 0.02 -0.05 0.15 -0.04 1.89 1.97 2b37A1 ILE 144 HG12 -0.06 0.00 -0.13 -0.04 1.49 1.26 2b37A1 ILE 144 HG13 -0.03 0.04 -0.29 -0.04 1.21 0.89 2b37A1 ILE 144 HG23 -0.10 -0.04 -0.17 -0.04 0.93 0.58 2b37A1 ILE 144 HD13 -0.11 -0.02 -0.13 -0.04 0.88 0.59 2b37A1 VAL 145 H 0.11 0.49 0.31 -0.55 8.24 8.59 2b37A1 VAL 145 HA 0.13 0.48 1.15 -0.75 4.13 5.13 2b37A1 VAL 145 HB 0.06 0.06 -0.19 -0.04 2.12 2.01 2b37A1 VAL 145 HG13 0.06 0.01 -0.10 -0.04 0.97 0.90 2b37A1 VAL 145 HG23 0.06 -0.05 -0.25 -0.04 0.95 0.67 2b37A1 GLY 146 H 0.07 0.49 0.42 -0.55 8.43 8.86 2b37A1 GLY 146 HA2 0.23 0.38 1.06 -0.51 4.01 5.17 2b37A1 GLY 146 HA3 0.09 -0.01 0.37 -0.51 4.01 3.95 2b37A1 MET 147 H 0.17 0.29 0.34 -0.55 8.47 8.72 2b37A1 MET 147 HA 0.04 0.15 0.61 -0.75 4.52 4.56 2b37A1 MET 147 HB2 0.11 -0.05 0.14 -0.04 2.15 2.30 2b37A1 MET 147 HB3 0.07 0.03 0.07 -0.04 2.03 2.16 2b37A1 MET 147 HG2 0.10 0.09 0.12 -0.04 2.63 2.90 2b37A1 MET 147 HG3 0.07 -0.10 0.02 -0.04 2.56 2.51 2b37A1 MET 147 HE3 0.06 0.03 -0.33 -0.04 2.10 1.82 2b37A1 ASP 148 H 0.03 0.53 0.41 -0.55 8.40 8.81 2b37A1 ASP 148 HA 0.06 0.16 0.77 -0.75 4.63 4.86 2b37A1 ASP 148 HB2 -0.08 0.06 -0.34 -0.04 2.71 2.31 2b37A1 ASP 148 HB3 -0.10 -0.08 -0.30 -0.04 2.70 2.19 2b37A1 PHE 149 H 0.15 0.29 0.04 -0.55 8.34 8.26 2b37A1 PHE 149 HA -0.03 0.15 0.47 -0.75 4.62 4.46 2b37A1 PHE 149 HB2 -0.04 0.06 -0.07 -0.04 3.15 3.07 2b37A1 PHE 149 HB3 0.00 -0.05 -0.01 -0.04 3.06 2.96 2b37A1 PHE 149 HD2 -0.54 0.12 -0.07 -0.04 7.28 6.74 2b37A1 PHE 149 HE2 -0.65 -0.04 -0.06 -0.04 7.38 6.59 2b37A1 PHE 149 HZ -0.26 -0.04 -0.03 -0.04 7.32 6.94 2b37A1 ASP 150 H -0.32 0.16 0.00 -0.55 8.40 7.70 2b37A1 ASP 150 HA -0.02 0.04 0.23 -0.75 4.63 4.13 2b37A1 ASP 150 HB2 -0.04 -0.01 0.09 -0.04 2.71 2.71 2b37A1 ASP 150 HB3 -0.21 0.04 0.11 -0.04 2.70 2.60 2b37A1 PRO 151 HA 0.06 0.22 0.81 -0.51 4.44 5.02 2b37A1 PRO 151 HB2 0.09 0.04 0.12 -0.04 2.28 2.49 2b37A1 PRO 151 HB3 0.17 0.03 0.13 -0.04 2.02 2.31 2b37A1 PRO 151 HG2 0.05 0.03 -0.15 -0.04 2.03 1.92 2b37A1 PRO 151 HG3 0.06 -0.01 -0.22 -0.04 2.03 1.83 2b37A1 PRO 151 HD2 0.03 0.02 0.14 -0.04 3.68 3.83 2b37A1 PRO 151 HD3 0.02 0.07 -0.04 -0.04 3.65 3.66 2b37A1 SER 152 H -0.00 0.07 -0.05 -0.55 8.46 7.93 2b37A1 SER 152 HA 0.01 0.07 0.37 -0.75 4.49 4.18 2b37A1 SER 152 HB2 -0.01 0.03 0.04 -0.04 3.95 3.96 2b37A1 SER 152 HB3 0.02 -0.01 0.08 -0.04 3.93 3.97 2b37A1 ARG 153 H -0.03 0.10 -0.40 -0.55 8.46 7.57 2b37A1 ARG 153 HA -0.04 0.14 0.70 -0.75 4.34 4.38 2b37A1 ARG 153 HB2 -0.06 0.04 -0.07 -0.04 1.90 1.77 2b37A1 ARG 153 HB3 -0.05 -0.02 0.07 -0.04 1.80 1.76 2b37A1 ARG 153 HG2 -0.05 0.09 -0.18 -0.04 1.67 1.49 2b37A1 ARG 153 HG3 -0.07 -0.09 -0.22 -0.04 1.67 1.25 2b37A1 ARG 153 HD2 -0.09 0.03 -0.04 -0.04 3.22 3.08 2b37A1 ARG 153 HD3 -0.07 -0.02 -0.02 -0.04 3.22 3.08 2b37A1 ALA 154 H -0.06 0.07 0.09 -0.55 8.40 7.95 2b37A1 ALA 154 HA -0.04 0.14 0.50 -0.75 4.34 4.18 2b37A1 ALA 154 HB3 -0.13 -0.01 0.08 -0.04 1.41 1.32 2b37A1 MET 155 H -0.04 0.24 0.22 -0.55 8.47 8.35 2b37A1 MET 155 HA 0.00 0.11 0.50 -0.75 4.52 4.38 2b37A1 MET 155 HB2 0.08 0.02 0.17 -0.04 2.15 2.37 2b37A1 MET 155 HB3 0.05 0.20 -0.15 -0.04 2.03 2.10 2b37A1 MET 155 HG2 0.13 -0.11 -0.05 -0.04 2.63 2.56 2b37A1 MET 155 HG3 0.17 0.01 -0.10 -0.04 2.56 2.60 2b37A1 MET 155 HE3 0.02 0.03 -0.07 -0.04 2.10 2.04 2b37A1 PRO 156 HA 0.00 0.11 0.80 -0.51 4.44 4.84 2b37A1 PRO 156 HB2 0.03 0.05 0.03 -0.04 2.28 2.35 2b37A1 PRO 156 HB3 0.01 0.06 0.15 -0.04 2.02 2.20 2b37A1 PRO 156 HG2 0.05 0.00 0.10 -0.04 2.03 2.14 2b37A1 PRO 156 HG3 0.03 0.07 0.09 -0.04 2.03 2.18 2b37A1 PRO 156 HD2 0.04 0.14 0.26 -0.04 3.68 4.08 2b37A1 PRO 156 HD3 0.01 0.16 0.13 -0.04 3.65 3.91 2b37A1 ALA 157 H 0.04 0.22 0.15 -0.55 8.40 8.26 2b37A1 ALA 157 HA 0.06 0.47 0.53 -0.75 4.34 4.65 2b37A1 ALA 157 HB3 0.07 0.04 -0.06 -0.04 1.41 1.41 2b37A1 TYR 158 H 0.20 0.75 -0.04 -0.55 8.29 8.66 2b37A1 TYR 158 HA 0.03 0.01 0.26 -0.75 4.56 4.10 2b37A1 TYR 158 HB2 0.10 0.10 0.10 -0.04 3.06 3.32 2b37A1 TYR 158 HB3 0.08 0.05 -0.01 -0.04 2.98 3.06 2b37A1 TYR 158 HD2 0.05 0.02 -0.04 -0.04 7.15 7.15 2b37A1 TYR 158 HE2 0.04 0.04 -0.13 -0.04 6.85 6.76 2b37A1 ASN 159 H 0.06 0.09 -0.44 -0.55 8.53 7.70 2b37A1 ASN 159 HA -0.08 0.02 0.30 -0.75 4.76 4.26 2b37A1 ASN 159 HB2 0.16 0.11 -0.02 -0.04 2.88 3.09 2b37A1 ASN 159 HB3 0.31 0.05 0.18 -0.04 2.79 3.28 2b37A1 ASN 159 HD21 0.12 0.11 -0.24 -0.04 7.03 6.99 2b37A1 ASN 159 HD22 0.20 -0.01 -0.43 -0.04 7.74 7.46 2b37A1 TRP 160 H 0.34 0.68 0.38 -0.55 7.97 8.83 2b37A1 TRP 160 HA 0.17 -0.00 0.42 -0.75 4.62 4.46 2b37A1 TRP 160 HB2 -0.03 0.16 0.15 -0.04 3.23 3.47 2b37A1 TRP 160 HB3 -0.00 -0.08 0.13 -0.04 3.23 3.24 2b37A1 TRP 160 HD1 -0.02 0.21 0.21 -0.04 7.22 7.58 2b37A1 TRP 160 HE1 -0.64 0.52 0.23 -0.04 10.20 10.27 2b37A1 TRP 160 HE3 0.06 -0.06 0.03 -0.04 7.59 7.59 2b37A1 TRP 160 HZ2 -0.71 0.07 -0.00 -0.04 7.44 6.75 2b37A1 TRP 160 HZ3 0.09 -0.01 -0.01 -0.04 7.13 7.16 2b37A1 TRP 160 HH2 -0.06 -0.01 -0.01 -0.04 7.19 7.07 2b37A1 MET 161 H -0.11 0.54 0.03 -0.55 8.47 8.38 2b37A1 MET 161 HA -0.08 0.07 0.62 -0.75 4.52 4.37 2b37A1 MET 161 HB2 -0.33 0.00 0.10 -0.04 2.15 1.87 2b37A1 MET 161 HB3 -1.35 0.09 0.08 -0.04 2.03 0.81 2b37A1 MET 161 HG2 -0.24 0.00 -0.06 -0.04 2.63 2.30 2b37A1 MET 161 HG3 -0.24 -0.01 -0.11 -0.04 2.56 2.16 2b37A1 MET 161 HE3 0.06 -0.03 -0.04 -0.04 2.10 2.05 2b37A1 THR 162 H -0.28 0.41 -0.30 -0.55 8.28 7.57 2b37A1 THR 162 HA 0.38 0.07 0.36 -0.75 4.39 4.45 2b37A1 THR 162 HB 0.05 0.08 -0.00 -0.04 4.32 4.40 2b37A1 THR 162 HG23 0.20 0.02 0.02 -0.04 1.22 1.42 2b37A1 VAL 163 H 0.06 0.19 -0.27 -0.55 8.24 7.67 2b37A1 VAL 163 HA 0.08 0.09 0.45 -0.75 4.13 4.00 2b37A1 VAL 163 HB 0.33 0.14 0.07 -0.04 2.12 2.62 2b37A1 VAL 163 HG13 0.25 -0.01 -0.02 -0.04 0.97 1.15 2b37A1 VAL 163 HG23 -0.11 0.03 0.00 -0.04 0.95 0.83 2b37A1 ALA 164 H 0.10 0.32 -0.46 -0.55 8.40 7.82 2b37A1 ALA 164 HA 0.12 0.00 0.58 -0.75 4.34 4.29 2b37A1 ALA 164 HB3 0.08 0.03 0.08 -0.04 1.41 1.56 2b37A1 LYS 165 H 0.12 0.56 -0.02 -0.55 8.42 8.53 2b37A1 LYS 165 HA 0.09 0.07 0.51 -0.75 4.32 4.23 2b37A1 LYS 165 HB2 0.22 0.13 0.19 -0.04 1.87 2.38 2b37A1 LYS 165 HB3 0.14 -0.06 0.06 -0.04 1.79 1.89 2b37A1 LYS 165 HG2 0.29 0.09 -0.04 -0.04 1.46 1.76 2b37A1 LYS 165 HG3 0.38 -0.01 0.01 -0.04 1.46 1.80 2b37A1 LYS 165 HD2 0.11 -0.01 0.09 -0.04 1.69 1.84 2b37A1 LYS 165 HD3 0.12 -0.01 -0.07 -0.04 1.68 1.68 2b37A1 LYS 165 HE2 0.23 -0.05 -0.12 -0.04 2.99 3.01 2b37A1 LYS 165 HE3 0.19 -0.08 -0.24 -0.04 2.99 2.82 2b37A1 SER 166 H 0.10 0.59 -0.12 -0.55 8.46 8.48 2b37A1 SER 166 HA 0.05 0.01 0.45 -0.75 4.49 4.25 2b37A1 SER 166 HB2 0.07 0.06 0.09 -0.04 3.95 4.13 2b37A1 SER 166 HB3 0.06 -0.03 -0.01 -0.04 3.93 3.91 2b37A1 ALA 167 H 0.09 0.32 -0.44 -0.55 8.40 7.82 2b37A1 ALA 167 HA 0.07 0.03 0.60 -0.75 4.34 4.30 2b37A1 ALA 167 HB3 0.10 0.06 0.15 -0.04 1.41 1.67 2b37A1 LEU 168 H 0.05 0.51 -0.12 -0.55 8.37 8.27 2b37A1 LEU 168 HA -0.03 -0.01 0.39 -0.75 4.35 3.94 2b37A1 LEU 168 HB2 0.01 0.08 0.23 -0.04 1.64 1.92 2b37A1 LEU 168 HB3 -0.05 0.04 0.10 -0.04 1.64 1.68 2b37A1 LEU 168 HG -0.08 0.21 0.19 -0.04 1.64 1.91 2b37A1 LEU 168 HD13 -0.08 -0.06 0.02 -0.04 0.93 0.77 2b37A1 LEU 168 HD23 -0.52 -0.05 -0.04 -0.04 0.89 0.25 2b37A1 GLU 169 H 0.00 0.53 -0.15 -0.55 8.60 8.44 2b37A1 GLU 169 HA -0.06 0.03 0.26 -0.75 4.29 3.77 2b37A1 GLU 169 HB2 0.02 0.08 0.10 -0.04 2.09 2.25 2b37A1 GLU 169 HB3 0.01 0.00 -0.07 -0.04 1.99 1.89 2b37A1 GLU 169 HG2 -0.05 -0.03 -0.06 -0.04 2.34 2.17 2b37A1 GLU 169 HG3 -0.02 0.09 -0.02 -0.04 2.34 2.36 2b37A1 SER 170 H 0.05 0.35 -0.33 -0.55 8.46 7.98 2b37A1 SER 170 HA 0.11 0.04 0.51 -0.75 4.49 4.40 2b37A1 SER 170 HB2 0.08 0.13 0.17 -0.04 3.95 4.29 2b37A1 SER 170 HB3 0.10 0.04 0.13 -0.04 3.93 4.16 2b37A1 VAL 171 H 0.06 0.70 -0.05 -0.55 8.24 8.40 2b37A1 VAL 171 HA 0.14 -0.06 0.29 -0.75 4.13 3.75 2b37A1 VAL 171 HB 0.03 0.15 0.14 -0.04 2.12 2.40 2b37A1 VAL 171 HG13 0.13 -0.02 -0.06 -0.04 0.97 0.98 2b37A1 VAL 171 HG23 0.05 0.04 -0.07 -0.04 0.95 0.93 2b37A1 ASN 172 H -0.01 0.58 -0.37 -0.55 8.53 8.19 2b37A1 ASN 172 HA 0.13 -0.02 0.32 -0.75 4.76 4.43 2b37A1 ASN 172 HB2 -0.21 0.02 -0.05 -0.04 2.88 2.60 2b37A1 ASN 172 HB3 -0.05 0.16 0.01 -0.04 2.79 2.88 2b37A1 ASN 172 HD21 -0.01 -0.01 -0.13 -0.04 7.03 6.84 2b37A1 ASN 172 HD22 -0.03 0.10 -0.48 -0.04 7.74 7.29 2b37A1 ARG 173 H 0.05 0.47 -0.15 -0.55 8.46 8.28 2b37A1 ARG 173 HA -0.03 0.03 0.41 -0.75 4.34 4.00 2b37A1 ARG 173 HB2 -0.03 0.08 0.16 -0.04 1.90 2.07 2b37A1 ARG 173 HB3 -0.15 -0.06 0.10 -0.04 1.80 1.65 2b37A1 ARG 173 HG2 -0.03 0.19 0.14 -0.04 1.67 1.94 2b37A1 ARG 173 HG3 0.00 0.22 0.16 -0.04 1.67 2.02 2b37A1 ARG 173 HD2 0.00 -0.06 0.06 -0.04 3.22 3.18 2b37A1 ARG 173 HD3 -0.03 -0.03 0.06 -0.04 3.22 3.17 2b37A1 PHE 174 H 0.25 0.37 -0.18 -0.55 8.34 8.22 2b37A1 PHE 174 HA 0.02 0.08 0.72 -0.75 4.62 4.68 2b37A1 PHE 174 HB2 0.02 0.07 0.13 -0.04 3.15 3.33 2b37A1 PHE 174 HB3 0.01 -0.04 0.02 -0.04 3.06 3.01 2b37A1 PHE 174 HD2 0.02 0.09 0.01 -0.04 7.28 7.36 2b37A1 PHE 174 HE2 0.02 -0.01 -0.01 -0.04 7.38 7.34 2b37A1 PHE 174 HZ 0.02 -0.02 -0.01 -0.04 7.32 7.27 2b37A1 VAL 175 H 0.18 0.61 -0.03 -0.55 8.24 8.45 2b37A1 VAL 175 HA 0.08 -0.02 0.34 -0.75 4.13 3.77 2b37A1 VAL 175 HB 0.19 0.14 0.10 -0.04 2.12 2.51 2b37A1 VAL 175 HG13 -0.06 -0.00 -0.08 -0.04 0.97 0.78 2b37A1 VAL 175 HG23 0.07 0.04 -0.00 -0.04 0.95 1.02 2b37A1 ALA 176 H 0.06 0.43 -0.38 -0.55 8.40 7.97 2b37A1 ALA 176 HA 0.04 0.02 0.42 -0.75 4.34 4.06 2b37A1 ALA 176 HB3 0.00 0.06 0.14 -0.04 1.41 1.57 2b37A1 ARG 177 H -0.02 0.31 -0.15 -0.55 8.46 8.05 2b37A1 ARG 177 HA -0.01 0.01 0.38 -0.75 4.34 3.97 2b37A1 ARG 177 HB2 0.04 0.10 0.22 -0.04 1.90 2.22 2b37A1 ARG 177 HB3 0.01 -0.06 0.05 -0.04 1.80 1.76 2b37A1 ARG 177 HG2 -0.11 -0.03 0.11 -0.04 1.67 1.61 2b37A1 ARG 177 HG3 -0.19 0.19 0.27 -0.04 1.67 1.89 2b37A1 ARG 177 HD2 -0.45 -0.04 0.05 -0.04 3.22 2.74 2b37A1 ARG 177 HD3 0.00 -0.03 0.06 -0.04 3.22 3.21 2b37A1 GLU 178 H 0.07 0.42 -0.13 -0.55 8.60 8.42 2b37A1 GLU 178 HA 0.07 -0.00 0.32 -0.75 4.29 3.93 2b37A1 GLU 178 HB2 0.07 0.06 0.12 -0.04 2.09 2.29 2b37A1 GLU 178 HB3 0.09 -0.03 0.03 -0.04 1.99 2.04 2b37A1 GLU 178 HG2 0.11 0.11 0.04 -0.04 2.34 2.56 2b37A1 GLU 178 HG3 0.08 -0.06 -0.03 -0.04 2.34 2.28 2b37A1 ALA 179 H 0.06 0.95 -0.02 -0.55 8.40 8.84 2b37A1 ALA 179 HA 0.14 -0.04 0.27 -0.75 4.34 3.95 2b37A1 ALA 179 HB3 0.03 -0.04 -0.05 -0.04 1.41 1.31 2b37A1 GLY 180 H 0.05 0.61 -0.26 -0.55 8.43 8.28 2b37A1 GLY 180 HA2 0.04 0.06 0.42 -0.51 4.01 4.02 2b37A1 GLY 180 HA3 0.03 0.04 0.34 -0.51 4.01 3.90 2b37A1 LYS 181 H 0.06 0.46 -0.30 -0.55 8.42 8.09 2b37A1 LYS 181 HA -0.06 0.02 0.46 -0.75 4.32 3.98 2b37A1 LYS 181 HB2 -0.14 0.14 0.09 -0.04 1.87 1.92 2b37A1 LYS 181 HB3 -0.22 -0.07 0.09 -0.04 1.79 1.55 2b37A1 LYS 181 HG2 -0.05 -0.07 0.04 -0.04 1.46 1.34 2b37A1 LYS 181 HG3 -0.01 0.10 0.08 -0.04 1.46 1.59 2b37A1 LYS 181 HD2 0.00 0.07 0.07 -0.04 1.69 1.79 2b37A1 LYS 181 HD3 -0.05 -0.07 0.02 -0.04 1.68 1.54 2b37A1 LYS 181 HE2 -0.00 -0.05 -0.01 -0.04 2.99 2.88 2b37A1 LYS 181 HE3 0.02 0.10 -0.05 -0.04 2.99 3.02 2b37A1 TYR 182 H 0.21 0.44 -0.24 -0.55 8.29 8.15 2b37A1 TYR 182 HA -0.01 0.14 0.74 -0.75 4.56 4.68 2b37A1 TYR 182 HB2 -0.01 0.08 -0.01 -0.04 3.06 3.08 2b37A1 TYR 182 HB3 -0.01 0.09 -0.03 -0.04 2.98 2.99 2b37A1 TYR 182 HD2 -0.01 0.11 -0.04 -0.04 7.15 7.17 2b37A1 TYR 182 HE2 -0.00 -0.02 -0.12 -0.04 6.85 6.66 2b37A1 GLY 183 H 0.06 0.37 -0.38 -0.55 8.43 7.93 2b37A1 GLY 183 HA2 0.03 0.07 0.34 -0.51 4.01 3.93 2b37A1 GLY 183 HA3 0.03 -0.03 0.63 -0.51 4.01 4.13 2b37A1 VAL 184 H 0.09 0.32 -0.01 -0.55 8.24 8.08 2b37A1 VAL 184 HA 0.03 0.34 0.91 -0.75 4.13 4.65 2b37A1 VAL 184 HB 0.05 -0.02 -0.03 -0.04 2.12 2.08 2b37A1 VAL 184 HG13 -0.01 -0.00 -0.32 -0.04 0.97 0.60 2b37A1 VAL 184 HG23 0.05 -0.00 -0.35 -0.04 0.95 0.60 2b37A1 ARG 185 H 0.02 0.70 0.27 -0.55 8.46 8.90 2b37A1 ARG 185 HA 0.03 0.04 0.83 -0.75 4.34 4.48 2b37A1 ARG 185 HB2 0.02 0.12 0.15 -0.04 1.90 2.15 2b37A1 ARG 185 HB3 0.02 0.03 0.09 -0.04 1.80 1.91 2b37A1 ARG 185 HG2 0.01 -0.10 -0.21 -0.04 1.67 1.33 2b37A1 ARG 185 HG3 0.01 0.03 -0.21 -0.04 1.67 1.45 2b37A1 ARG 185 HD2 0.01 -0.06 -0.26 -0.04 3.22 2.87 2b37A1 ARG 185 HD3 0.00 0.10 -0.14 -0.04 3.22 3.13 2b37A1 SER 186 H 0.04 0.06 0.24 -0.55 8.46 8.25 2b37A1 SER 186 HA 0.08 0.42 1.14 -0.75 4.49 5.38 2b37A1 SER 186 HB2 0.06 0.06 -0.17 -0.04 3.95 3.86 2b37A1 SER 186 HB3 0.08 -0.11 0.14 -0.04 3.93 4.00 2b37A1 ASN 187 H 0.08 0.77 0.42 -0.55 8.53 9.25 2b37A1 ASN 187 HA 0.01 0.07 0.96 -0.75 4.76 5.04 2b37A1 ASN 187 HB2 0.03 0.07 -0.05 -0.04 2.88 2.89 2b37A1 ASN 187 HB3 -0.00 0.01 -0.02 -0.04 2.79 2.74 2b37A1 ASN 187 HD21 0.02 0.59 -0.22 -0.04 7.03 7.39 2b37A1 ASN 187 HD22 0.03 0.07 -0.18 -0.04 7.74 7.63 2b37A1 LEU 188 H -0.06 0.81 0.45 -0.55 8.37 9.02 2b37A1 LEU 188 HA -0.07 0.26 0.98 -0.75 4.35 4.76 2b37A1 LEU 188 HB2 -0.12 0.05 0.05 -0.04 1.64 1.57 2b37A1 LEU 188 HB3 -0.14 -0.11 -0.17 -0.04 1.64 1.18 2b37A1 LEU 188 HG -0.17 0.06 -0.27 -0.04 1.64 1.22 2b37A1 LEU 188 HD13 -0.41 -0.01 -0.16 -0.04 0.93 0.32 2b37A1 LEU 188 HD23 -0.16 -0.02 -0.24 -0.04 0.89 0.44 2b37A1 VAL 189 H -0.04 0.57 0.20 -0.55 8.24 8.42 2b37A1 VAL 189 HA -0.10 0.23 0.96 -0.75 4.13 4.46 2b37A1 VAL 189 HB 0.02 -0.03 0.08 -0.04 2.12 2.15 2b37A1 VAL 189 HG13 0.02 -0.02 -0.29 -0.04 0.97 0.64 2b37A1 VAL 189 HG23 0.02 0.01 -0.23 -0.04 0.95 0.71 2b37A1 ALA 190 H -0.34 0.70 0.16 -0.55 8.40 8.37 2b37A1 ALA 190 HA -0.07 0.07 0.53 -0.75 4.34 4.12 2b37A1 ALA 190 HB3 -0.44 -0.03 -0.05 -0.04 1.41 0.84 2b37A1 ALA 191 H 0.07 0.46 0.23 -0.55 8.40 8.61 2b37A1 ALA 191 HA 0.06 0.16 0.70 -0.75 4.34 4.50 2b37A1 ALA 191 HB3 0.13 0.00 0.10 -0.04 1.41 1.61 2b37A1 GLY 192 H -0.23 0.35 0.28 -0.55 8.43 8.28 2b37A1 GLY 192 HA2 -0.60 0.09 0.70 -0.51 4.01 3.69 2b37A1 GLY 192 HA3 -1.63 0.02 0.35 -0.51 4.01 2.24 2b37A1 PRO 193 HA -0.24 0.05 0.37 -0.51 4.44 4.10 2b37A1 PRO 193 HB2 -0.18 -0.01 -0.10 -0.04 2.28 1.95 2b37A1 PRO 193 HB3 -0.40 0.03 0.01 -0.04 2.02 1.61 2b37A1 PRO 193 HG2 -0.30 -0.01 0.08 -0.04 2.03 1.76 2b37A1 PRO 193 HG3 -0.72 0.05 0.01 -0.04 2.03 1.32 2b37A1 PRO 193 HD2 -2.41 0.08 0.17 -0.04 3.68 1.48 2b37A1 PRO 193 HD3 -2.67 0.15 0.18 -0.04 3.65 1.27 2b37A1 ILE 194 H -0.07 0.17 0.15 -0.55 8.25 7.95 2b37A1 ILE 194 HA -0.02 0.26 1.00 -0.75 4.18 4.67 2b37A1 ILE 194 HB -0.02 -0.08 0.02 -0.04 1.89 1.76 2b37A1 ILE 194 HG12 0.18 0.16 -0.28 -0.04 1.49 1.52 2b37A1 ILE 194 HG13 0.06 -0.07 -0.09 -0.04 1.21 1.07 2b37A1 ILE 194 HG23 -0.10 0.03 -0.24 -0.04 0.93 0.57 2b37A1 ILE 194 HD13 -0.04 0.00 -0.26 -0.04 0.88 0.54 2b37A1 ARG 195 H -0.07 0.71 0.25 -0.55 8.46 8.80 2b37A1 ARG 195 HA -0.04 -0.08 0.47 -0.75 4.34 3.93 2b37A1 ARG 195 HB2 -0.06 0.07 0.23 -0.04 1.90 2.10 2b37A1 ARG 195 HB3 -0.04 -0.03 0.03 -0.04 1.80 1.71 2b37A1 ARG 195 HG2 -0.05 0.02 -0.01 -0.04 1.67 1.59 2b37A1 ARG 195 HG3 -0.05 -0.03 -0.08 -0.04 1.67 1.47 2b37A1 ARG 195 HD2 -0.02 0.01 -0.02 -0.04 3.22 3.14 2b37A1 ARG 195 HD3 -0.03 -0.03 0.02 -0.04 3.22 3.14 2b37A1 THR 196 H -0.04 0.08 0.18 -0.55 8.28 7.95 2b37A1 THR 196 HA -0.03 0.09 0.20 -0.75 4.39 3.91 2b37A1 THR 196 HB -0.02 -0.04 0.00 -0.04 4.32 4.22 2b37A1 THR 196 HG23 -0.01 -0.06 -0.13 -0.04 1.22 0.98 2b37A1 LEU 217 HA 0.05 0.04 0.23 -0.75 4.35 3.92 2b37A1 LEU 217 HB2 0.04 0.03 0.09 -0.04 1.64 1.75 2b37A1 LEU 217 HB3 0.05 -0.08 0.10 -0.04 1.64 1.67 2b37A1 LEU 217 HG 0.04 0.00 -0.05 -0.04 1.64 1.59 2b37A1 LEU 217 HD13 0.02 0.01 0.02 -0.04 0.93 0.95 2b37A1 LEU 217 HD23 0.03 0.01 -0.02 -0.04 0.89 0.87 2b37A1 LEU 218 H 0.08 0.20 0.13 -0.55 8.37 8.23 2b37A1 LEU 218 HA 0.16 0.12 0.45 -0.75 4.35 4.32 2b37A1 LEU 218 HB2 0.11 -0.02 0.12 -0.04 1.64 1.80 2b37A1 LEU 218 HB3 0.24 0.04 0.06 -0.04 1.64 1.94 2b37A1 LEU 218 HG 0.09 -0.04 0.10 -0.04 1.64 1.75 2b37A1 LEU 218 HD13 0.09 0.00 0.04 -0.04 0.93 1.03 2b37A1 LEU 218 HD23 0.13 0.02 0.06 -0.04 0.89 1.05 2b37A1 GLU 219 H 0.11 0.17 -0.17 -0.55 8.60 8.16 2b37A1 GLU 219 HA 0.26 0.15 0.76 -0.75 4.29 4.71 2b37A1 GLU 219 HB2 0.08 0.03 0.07 -0.04 2.09 2.23 2b37A1 GLU 219 HB3 0.12 0.02 0.05 -0.04 1.99 2.15 2b37A1 GLU 219 HG2 0.01 0.05 -0.03 -0.04 2.34 2.33 2b37A1 GLU 219 HG3 0.03 -0.03 -0.05 -0.04 2.34 2.24 2b37A1 GLU 220 H 0.11 0.19 -0.15 -0.55 8.60 8.20 2b37A1 GLU 220 HA 0.11 0.13 0.69 -0.75 4.29 4.46 2b37A1 GLU 220 HB2 0.06 -0.03 0.09 -0.04 2.09 2.18 2b37A1 GLU 220 HB3 0.07 0.09 0.08 -0.04 1.99 2.18 2b37A1 GLU 220 HG2 0.05 0.03 -0.06 -0.04 2.34 2.32 2b37A1 GLU 220 HG3 0.06 -0.00 0.11 -0.04 2.34 2.47 2b37A1 GLY 221 H 0.13 0.33 -0.22 -0.55 8.43 8.12 2b37A1 GLY 221 HA2 0.05 0.13 0.61 -0.51 4.01 4.29 2b37A1 GLY 221 HA3 0.06 0.10 0.27 -0.51 4.01 3.94 2b37A1 TRP 222 H 0.33 0.18 -0.18 -0.55 7.97 7.76 2b37A1 TRP 222 HA -0.04 0.09 0.49 -0.75 4.62 4.41 2b37A1 TRP 222 HB2 0.03 0.22 0.31 -0.04 3.23 3.75 2b37A1 TRP 222 HB3 0.12 0.00 0.13 -0.04 3.23 3.44 2b37A1 TRP 222 HD1 -0.44 0.01 -0.15 -0.04 7.22 6.60 2b37A1 TRP 222 HE1 -0.86 0.02 0.16 -0.04 10.20 9.47 2b37A1 TRP 222 HE3 -0.02 0.13 0.06 -0.04 7.59 7.72 2b37A1 TRP 222 HZ2 -0.34 -0.04 -0.00 -0.04 7.44 7.01 2b37A1 TRP 222 HZ3 -0.07 0.01 0.00 -0.04 7.13 7.03 2b37A1 TRP 222 HH2 -0.61 -0.00 0.00 -0.04 7.19 6.54 2b37A1 ASP 223 H 0.35 0.33 -0.15 -0.55 8.40 8.38 2b37A1 ASP 223 HA 0.35 -0.04 0.35 -0.75 4.63 4.53 2b37A1 ASP 223 HB2 0.29 0.14 0.24 -0.04 2.71 3.35 2b37A1 ASP 223 HB3 0.19 0.08 0.13 -0.04 2.70 3.06 2b37A1 GLN 224 H 0.11 0.06 -0.65 -0.55 8.47 7.44 2b37A1 GLN 224 HA 0.05 0.05 0.57 -0.75 4.36 4.27 2b37A1 GLN 224 HB2 0.03 0.01 0.20 -0.04 2.15 2.34 2b37A1 GLN 224 HB3 0.01 0.03 -0.01 -0.04 2.02 2.00 2b37A1 GLN 224 HG2 0.03 -0.05 0.04 -0.04 2.40 2.37 2b37A1 GLN 224 HG3 0.06 0.05 0.07 -0.04 2.39 2.53 2b37A1 GLN 224 HE21 0.02 -0.08 -0.03 -0.04 6.97 6.85 2b37A1 GLN 224 HE22 0.03 -0.03 -0.00 -0.04 7.69 7.65 2b37A1 ARG 225 H -0.03 0.53 -0.02 -0.55 8.46 8.38 2b37A1 ARG 225 HA -0.08 0.01 0.26 -0.75 4.34 3.77 2b37A1 ARG 225 HB2 -0.24 0.06 0.21 -0.04 1.90 1.89 2b37A1 ARG 225 HB3 -0.28 -0.04 -0.02 -0.04 1.80 1.42 2b37A1 ARG 225 HG2 -0.17 -0.06 -0.24 -0.04 1.67 1.16 2b37A1 ARG 225 HG3 -0.11 -0.03 -0.03 -0.04 1.67 1.45 2b37A1 ARG 225 HD2 -0.20 0.21 0.03 -0.04 3.22 3.21 2b37A1 ARG 225 HD3 -0.16 -0.12 -0.01 -0.04 3.22 2.88 2b37A1 ALA 226 H -0.01 0.55 -0.23 -0.55 8.40 8.16 2b37A1 ALA 226 HA -0.03 0.01 0.15 -0.75 4.34 3.72 2b37A1 ALA 226 HB3 0.18 -0.00 -0.05 -0.04 1.41 1.49 2b37A1 PRO 227 HA 0.01 0.15 0.54 -0.51 4.44 4.64 2b37A1 PRO 227 HB2 0.01 -0.04 -0.03 -0.04 2.28 2.18 2b37A1 PRO 227 HB3 -0.01 -0.02 0.13 -0.04 2.02 2.08 2b37A1 PRO 227 HG2 -0.03 -0.06 0.10 -0.04 2.03 2.00 2b37A1 PRO 227 HG3 -0.04 0.09 0.09 -0.04 2.03 2.13 2b37A1 PRO 227 HD2 0.01 0.29 0.38 -0.04 3.68 4.31 2b37A1 PRO 227 HD3 -0.05 0.19 0.09 -0.04 3.65 3.84 2b37A1 ILE 228 H 0.08 0.19 -0.22 -0.55 8.25 7.75 2b37A1 ILE 228 HA 0.06 0.17 0.74 -0.75 4.18 4.39 2b37A1 ILE 228 HB 0.07 -0.05 0.16 -0.04 1.89 2.03 2b37A1 ILE 228 HG12 0.13 0.14 0.03 -0.04 1.49 1.75 2b37A1 ILE 228 HG13 0.15 0.05 -0.14 -0.04 1.21 1.23 2b37A1 ILE 228 HG23 0.05 -0.00 -0.14 -0.04 0.93 0.79 2b37A1 ILE 228 HD13 0.11 -0.04 -0.03 -0.04 0.88 0.87 2b37A1 GLY 229 H 0.12 0.26 -0.31 -0.55 8.43 7.95 2b37A1 GLY 229 HA2 0.17 0.27 0.37 -0.51 4.01 4.31 2b37A1 GLY 229 HA3 0.13 0.07 0.53 -0.51 4.01 4.22 2b37A1 TRP 230 H 0.27 0.26 0.12 -0.55 7.97 8.07 2b37A1 TRP 230 HA 0.10 0.10 0.56 -0.75 4.62 4.62 2b37A1 TRP 230 HB2 0.32 0.14 -0.28 -0.04 3.23 3.37 2b37A1 TRP 230 HB3 0.25 -0.07 -0.04 -0.04 3.23 3.33 2b37A1 TRP 230 HD1 -0.06 -0.06 -0.10 -0.04 7.22 6.96 2b37A1 TRP 230 HE1 -0.32 0.35 -0.13 -0.04 10.20 10.06 2b37A1 TRP 230 HE3 0.14 0.15 -0.12 -0.04 7.59 7.72 2b37A1 TRP 230 HZ2 -0.10 0.16 -0.37 -0.04 7.44 7.09 2b37A1 TRP 230 HZ3 0.09 -0.05 -0.23 -0.04 7.13 6.90 2b37A1 TRP 230 HH2 0.03 0.03 -0.02 -0.04 7.19 7.19 2b37A1 ASN 231 H -0.60 0.24 0.04 -0.55 8.53 7.66 2b37A1 ASN 231 HA -0.20 0.15 0.89 -0.75 4.76 4.84 2b37A1 ASN 231 HB2 -0.14 0.10 0.05 -0.04 2.88 2.84 2b37A1 ASN 231 HB3 -0.30 0.05 0.21 -0.04 2.79 2.70 2b37A1 ASN 231 HD21 -0.09 0.03 -0.05 -0.04 7.03 6.88 2b37A1 ASN 231 HD22 -0.11 0.07 0.01 -0.04 7.74 7.67 2b37A1 MET 232 H -0.21 0.25 0.08 -0.55 8.47 8.05 2b37A1 MET 232 HA -0.38 0.24 0.30 -0.75 4.52 3.93 2b37A1 MET 232 HB2 -0.02 -0.04 0.12 -0.04 2.15 2.17 2b37A1 MET 232 HB3 0.07 0.06 0.11 -0.04 2.03 2.22 2b37A1 MET 232 HG2 -0.06 -0.00 -0.19 -0.04 2.63 2.34 2b37A1 MET 232 HG3 -0.00 -0.02 -0.02 -0.04 2.56 2.48 2b37A1 MET 232 HE3 0.02 0.00 -0.02 -0.04 2.10 2.06 2b37A1 LYS 233 H -0.20 0.02 -0.58 -0.55 8.42 7.11 2b37A1 LYS 233 HA -0.10 0.15 0.81 -0.75 4.32 4.43 2b37A1 LYS 233 HB2 -0.09 0.01 0.00 -0.04 1.87 1.75 2b37A1 LYS 233 HB3 -0.06 0.04 0.12 -0.04 1.79 1.85 2b37A1 LYS 233 HG2 -0.05 0.03 0.00 -0.04 1.46 1.41 2b37A1 LYS 233 HG3 -0.07 -0.10 -0.16 -0.04 1.46 1.09 2b37A1 LYS 233 HD2 -0.04 -0.00 -0.02 -0.04 1.69 1.59 2b37A1 LYS 233 HD3 -0.06 -0.01 -0.01 -0.04 1.68 1.56 2b37A1 LYS 233 HE2 -0.03 0.02 -0.01 -0.04 2.99 2.93 2b37A1 LYS 233 HE3 -0.03 0.00 -0.00 -0.04 2.99 2.92 2b37A1 ASP 234 H -0.30 0.65 -0.05 -0.55 8.40 8.15 2b37A1 ASP 234 HA -0.11 0.14 0.93 -0.75 4.63 4.82 2b37A1 ASP 234 HB2 -0.15 -0.01 0.02 -0.04 2.71 2.53 2b37A1 ASP 234 HB3 -0.30 0.08 0.25 -0.04 2.70 2.69 2b37A1 ALA 235 H -0.20 0.25 0.12 -0.55 8.40 8.02 2b37A1 ALA 235 HA -0.15 0.18 0.60 -0.75 4.34 4.22 2b37A1 ALA 235 HB3 -0.53 0.03 0.01 -0.04 1.41 0.87 2b37A1 THR 236 H -0.01 0.10 -0.17 -0.55 8.28 7.66 2b37A1 THR 236 HA 0.12 0.10 0.44 -0.75 4.39 4.29 2b37A1 THR 236 HB 0.03 0.05 0.06 -0.04 4.32 4.41 2b37A1 THR 236 HG23 0.04 0.02 -0.07 -0.04 1.22 1.17 2b37A1 PRO 237 HA 0.05 0.09 0.38 -0.51 4.44 4.45 2b37A1 PRO 237 HB2 0.08 0.04 -0.09 -0.04 2.28 2.28 2b37A1 PRO 237 HB3 0.07 0.06 0.05 -0.04 2.02 2.16 2b37A1 PRO 237 HG2 -0.16 0.09 0.02 -0.04 2.03 1.93 2b37A1 PRO 237 HG3 -0.03 0.06 0.02 -0.04 2.03 2.03 2b37A1 PRO 237 HD2 -0.12 0.31 -0.24 -0.04 3.68 3.59 2b37A1 PRO 237 HD3 -0.05 -0.01 0.01 -0.04 3.65 3.55 2b37A1 VAL 238 H 0.06 0.18 -0.62 -0.55 8.24 7.31 2b37A1 VAL 238 HA 0.15 0.11 0.61 -0.75 4.13 4.24 2b37A1 VAL 238 HB 0.09 0.13 0.05 -0.04 2.12 2.35 2b37A1 VAL 238 HG13 0.10 -0.01 -0.10 -0.04 0.97 0.92 2b37A1 VAL 238 HG23 0.31 0.02 -0.00 -0.04 0.95 1.24 2b37A1 ALA 239 H 0.07 0.32 -0.07 -0.55 8.40 8.18 2b37A1 ALA 239 HA 0.07 0.04 0.47 -0.75 4.34 4.16 2b37A1 ALA 239 HB3 0.08 0.02 -0.09 -0.04 1.41 1.38 2b37A1 LYS 240 H 0.06 0.58 -0.05 -0.55 8.42 8.45 2b37A1 LYS 240 HA 0.04 0.07 0.37 -0.75 4.32 4.05 2b37A1 LYS 240 HB2 0.05 0.04 0.03 -0.04 1.87 1.95 2b37A1 LYS 240 HB3 0.04 0.01 -0.03 -0.04 1.79 1.77 2b37A1 LYS 240 HG2 0.03 0.01 -0.01 -0.04 1.46 1.45 2b37A1 LYS 240 HG3 0.04 0.10 -0.04 -0.04 1.46 1.51 2b37A1 LYS 240 HD2 0.03 -0.03 -0.06 -0.04 1.69 1.59 2b37A1 LYS 240 HD3 0.02 0.02 -0.03 -0.04 1.68 1.65 2b37A1 LYS 240 HE2 0.01 0.04 -0.04 -0.04 2.99 2.96 2b37A1 LYS 240 HE3 0.02 -0.06 -0.08 -0.04 2.99 2.82 2b37A1 THR 241 H 0.07 0.21 -0.61 -0.55 8.28 7.41 2b37A1 THR 241 HA 0.06 0.05 0.30 -0.75 4.39 4.05 2b37A1 THR 241 HB 0.08 0.08 -0.03 -0.04 4.32 4.41 2b37A1 THR 241 HG23 0.07 -0.02 -0.10 -0.04 1.22 1.13 2b37A1 VAL 242 H 0.06 0.32 -0.23 -0.55 8.24 7.85 2b37A1 VAL 242 HA 0.05 0.05 0.48 -0.75 4.13 3.96 2b37A1 VAL 242 HB 0.05 0.06 0.07 -0.04 2.12 2.26 2b37A1 VAL 242 HG13 0.06 -0.00 -0.14 -0.04 0.97 0.84 2b37A1 VAL 242 HG23 0.06 0.03 -0.06 -0.04 0.95 0.94 2b37A1 CYS 243 H 0.05 0.47 -0.26 -0.55 8.50 8.22 2b37A1 CYS 243 HA 0.05 0.07 0.31 -0.75 4.58 4.26 2b37A1 CYS 243 HB2 0.05 0.13 0.08 -0.04 2.97 3.19 2b37A1 CYS 243 HB3 0.05 -0.03 -0.10 -0.04 2.97 2.84 2b37A1 ALA 244 H 0.06 0.43 -0.18 -0.55 8.40 8.16 2b37A1 ALA 244 HA 0.12 0.00 0.37 -0.75 4.34 4.08 2b37A1 ALA 244 HB3 0.08 0.03 0.01 -0.04 1.41 1.49 2b37A1 LEU 245 H 0.06 0.29 -0.44 -0.55 8.37 7.74 2b37A1 LEU 245 HA 0.06 0.04 0.39 -0.75 4.35 4.08 2b37A1 LEU 245 HB2 0.05 0.07 0.05 -0.04 1.64 1.76 2b37A1 LEU 245 HB3 0.05 -0.00 -0.15 -0.04 1.64 1.50 2b37A1 LEU 245 HG 0.03 -0.09 -0.16 -0.04 1.64 1.37 2b37A1 LEU 245 HD13 0.04 -0.01 -0.10 -0.04 0.93 0.81 2b37A1 LEU 245 HD23 0.05 0.04 -0.10 -0.04 0.89 0.84 2b37A1 LEU 246 H 0.06 0.22 -0.43 -0.55 8.37 7.67 2b37A1 LEU 246 HA 0.04 0.11 0.66 -0.75 4.35 4.41 2b37A1 LEU 246 HB2 0.05 -0.02 0.02 -0.04 1.64 1.64 2b37A1 LEU 246 HB3 0.04 -0.06 0.03 -0.04 1.64 1.61 2b37A1 LEU 246 HG 0.05 0.08 -0.13 -0.04 1.64 1.59 2b37A1 LEU 246 HD13 0.04 -0.06 -0.23 -0.04 0.93 0.64 2b37A1 LEU 246 HD23 0.03 -0.01 -0.08 -0.04 0.89 0.80 2b37A1 SER 247 H 0.09 0.12 -0.58 -0.55 8.46 7.55 2b37A1 SER 247 HA 0.07 0.19 0.67 -0.75 4.49 4.67 2b37A1 SER 247 HB2 0.30 -0.05 0.20 -0.04 3.95 4.35 2b37A1 SER 247 HB3 0.17 0.09 0.03 -0.04 3.93 4.17 2b37A1 ASP 248 H -0.04 0.14 0.16 -0.55 8.40 8.11 2b37A1 ASP 248 HA -0.12 0.31 0.76 -0.75 4.63 4.83 2b37A1 ASP 248 HB2 -0.57 -0.05 0.07 -0.04 2.71 2.11 2b37A1 ASP 248 HB3 -0.36 -0.03 0.17 -0.04 2.70 2.44 2b37A1 TRP 249 H 0.16 0.10 -0.15 -0.55 7.97 7.53 2b37A1 TRP 249 HA 0.01 0.14 0.52 -0.75 4.62 4.54 2b37A1 TRP 249 HB2 0.02 0.03 0.07 -0.04 3.23 3.31 2b37A1 TRP 249 HB3 0.02 -0.03 0.15 -0.04 3.23 3.33 2b37A1 TRP 249 HD1 0.01 0.02 0.08 -0.04 7.22 7.29 2b37A1 TRP 249 HE1 0.01 0.06 0.01 -0.04 10.20 10.25 2b37A1 TRP 249 HE3 0.01 -0.00 0.04 -0.04 7.59 7.60 2b37A1 TRP 249 HZ2 0.01 0.02 -0.01 -0.04 7.44 7.41 2b37A1 TRP 249 HZ3 0.01 -0.03 -0.00 -0.04 7.13 7.07 2b37A1 TRP 249 HH2 0.01 -0.02 -0.01 -0.04 7.19 7.13 2b37A1 LEU 250 H 0.07 0.25 -0.56 -0.55 8.37 7.57 2b37A1 LEU 250 HA 0.08 0.09 0.55 -0.75 4.35 4.32 2b37A1 LEU 250 HB2 0.07 0.17 0.02 -0.04 1.64 1.86 2b37A1 LEU 250 HB3 0.06 -0.10 0.13 -0.04 1.64 1.69 2b37A1 LEU 250 HG 0.13 -0.00 -0.45 -0.04 1.64 1.28 2b37A1 LEU 250 HD13 0.07 -0.01 -0.22 -0.04 0.93 0.73 2b37A1 LEU 250 HD23 0.09 0.00 0.01 -0.04 0.89 0.94 2b37A1 PRO 251 HA -0.02 0.20 0.24 -0.51 4.44 4.35 2b37A1 PRO 251 HB2 -0.05 -0.03 0.06 -0.04 2.28 2.22 2b37A1 PRO 251 HB3 -0.09 0.12 0.14 -0.04 2.02 2.15 2b37A1 PRO 251 HG2 -0.03 -0.06 -0.06 -0.04 2.03 1.84 2b37A1 PRO 251 HG3 -0.12 0.07 0.07 -0.04 2.03 2.00 2b37A1 PRO 251 HD2 0.02 0.04 -0.15 -0.04 3.68 3.55 2b37A1 PRO 251 HD3 -0.05 0.26 -0.09 -0.04 3.65 3.74 2b37A1 ALA 252 H 0.02 0.05 -0.59 -0.55 8.40 7.32 2b37A1 ALA 252 HA 0.00 0.24 0.84 -0.75 4.34 4.67 2b37A1 ALA 252 HB3 0.01 -0.01 -0.02 -0.04 1.41 1.34 2b37A1 THR 253 H 0.02 0.45 -0.09 -0.55 8.28 8.11 2b37A1 THR 253 HA 0.02 0.16 0.97 -0.75 4.39 4.78 2b37A1 THR 253 HB 0.03 -0.01 0.00 -0.04 4.32 4.29 2b37A1 THR 253 HG23 0.04 0.03 -0.10 -0.04 1.22 1.15 2b37A1 THR 254 H 0.01 0.32 0.15 -0.55 8.28 8.22 2b37A1 THR 254 HA 0.02 0.12 0.45 -0.75 4.39 4.22 2b37A1 THR 254 HB 0.02 0.18 -0.19 -0.04 4.32 4.29 2b37A1 THR 254 HG23 0.00 0.02 -0.19 -0.04 1.22 1.01 2b37A1 GLY 255 H 0.02 0.61 0.41 -0.55 8.43 8.92 2b37A1 GLY 255 HA2 0.01 0.05 0.25 -0.51 4.01 3.81 2b37A1 GLY 255 HA3 -0.01 0.02 0.54 -0.51 4.01 4.05 2b37A1 ASP 256 H -0.00 0.24 0.05 -0.55 8.40 8.14 2b37A1 ASP 256 HA -0.01 0.20 0.83 -0.75 4.63 4.90 2b37A1 ASP 256 HB2 0.01 0.15 -0.36 -0.04 2.71 2.47 2b37A1 ASP 256 HB3 0.01 -0.01 -0.25 -0.04 2.70 2.41 2b37A1 ILE 257 H -0.01 0.23 0.12 -0.55 8.25 8.04 2b37A1 ILE 257 HA -0.16 0.32 0.97 -0.75 4.18 4.56 2b37A1 ILE 257 HB -0.07 -0.01 0.10 -0.04 1.89 1.87 2b37A1 ILE 257 HG12 -0.12 0.05 -0.22 -0.04 1.49 1.16 2b37A1 ILE 257 HG13 -0.05 -0.02 -0.20 -0.04 1.21 0.90 2b37A1 ILE 257 HG23 -0.79 -0.02 -0.20 -0.04 0.93 -0.13 2b37A1 ILE 257 HD13 -0.03 -0.01 -0.07 -0.04 0.88 0.74 2b37A1 ILE 258 H -0.13 0.58 0.29 -0.55 8.25 8.44 2b37A1 ILE 258 HA 0.04 0.14 0.78 -0.75 4.18 4.38 2b37A1 ILE 258 HB -0.02 0.04 0.06 -0.04 1.89 1.92 2b37A1 ILE 258 HG12 0.04 0.05 -0.07 -0.04 1.49 1.47 2b37A1 ILE 258 HG13 0.05 0.00 0.00 -0.04 1.21 1.23 2b37A1 ILE 258 HG23 0.04 -0.02 -0.26 -0.04 0.93 0.65 2b37A1 ILE 258 HD13 0.01 -0.01 -0.24 -0.04 0.88 0.61 2b37A1 TYR 259 H 0.18 0.23 0.09 -0.55 8.29 8.24 2b37A1 TYR 259 HA -0.09 0.26 0.98 -0.75 4.56 4.95 2b37A1 TYR 259 HB2 -0.08 0.02 0.11 -0.04 3.06 3.07 2b37A1 TYR 259 HB3 -0.25 -0.12 -0.02 -0.04 2.98 2.54 2b37A1 TYR 259 HD2 -0.28 0.01 -0.11 -0.04 7.15 6.73 2b37A1 TYR 259 HE2 -0.18 0.02 -0.07 -0.04 6.85 6.58 2b37A1 ALA 260 H 0.03 0.72 0.05 -0.55 8.40 8.65 2b37A1 ALA 260 HA 0.15 0.12 0.79 -0.75 4.34 4.64 2b37A1 ALA 260 HB3 0.15 0.03 0.05 -0.04 1.41 1.60 2b37A1 ASP 261 H 0.07 0.11 -0.17 -0.55 8.40 7.87 2b37A1 ASP 261 HA -0.84 0.17 0.82 -0.75 4.63 4.02 2b37A1 ASP 261 HB2 0.38 0.07 0.10 -0.04 2.71 3.21 2b37A1 ASP 261 HB3 0.08 0.15 -0.32 -0.04 2.70 2.57 2b37A1 GLY 262 H 0.17 0.14 -0.03 -0.55 8.43 8.16 2b37A1 GLY 262 HA2 0.27 0.11 0.28 -0.51 4.01 4.16 2b37A1 GLY 262 HA3 0.33 0.27 0.41 -0.51 4.01 4.51 2b37A1 GLY 263 H 0.07 -0.13 -0.34 -0.55 8.43 7.49 2b37A1 GLY 263 HA2 0.03 -0.01 0.21 -0.51 4.01 3.73 2b37A1 GLY 263 HA3 -0.00 0.24 0.63 -0.51 4.01 4.37 2b37A1 ALA 264 H -0.12 0.16 -0.34 -0.55 8.40 7.55 2b37A1 ALA 264 HA -0.31 0.22 0.07 -0.75 4.34 3.57 2b37A1 ALA 264 HB3 -0.92 0.01 0.05 -0.04 1.41 0.51 2b37A1 HIS 265 H -0.07 -0.03 -0.17 -0.55 8.41 7.60 2b37A1 HIS 265 HA -0.41 0.13 0.16 -0.75 4.63 3.76 2b37A1 HIS 265 HB2 -0.33 0.02 0.05 -0.04 3.26 2.96 2b37A1 HIS 265 HB3 -0.29 -0.06 0.03 -0.04 3.20 2.84 2b37A1 HIS 265 HD2 -0.23 -0.17 -0.14 -0.04 6.97 6.38 2b37A1 HIS 265 HE1 -0.71 0.05 -0.09 -0.04 7.75 6.96 2b37A1 THR 266 H -0.44 0.19 -0.77 -0.55 8.28 6.72 2b37A1 THR 266 HA -0.47 0.11 0.61 -0.75 4.39 3.90 2b37A1 THR 266 HB -0.30 -0.02 0.13 -0.04 4.32 4.08 2b37A1 THR 266 HG23 -0.78 -0.04 -0.11 -0.04 1.22 0.25 2b37A1 GLN 267 H -0.27 0.58 -0.30 -0.55 8.47 7.93 2b37A1 GLN 267 HA -0.15 0.03 0.87 -0.75 4.36 4.35 2b37A1 GLN 267 HB2 -0.19 0.10 0.11 -0.04 2.15 2.13 2b37A1 GLN 267 HB3 -0.13 -0.13 -0.02 -0.04 2.02 1.71 2b37A1 GLN 267 HG2 -0.16 -0.06 -0.31 -0.04 2.40 1.83 2b37A1 GLN 267 HG3 -0.11 0.30 0.01 -0.04 2.39 2.54 2b37A1 GLN 267 HE21 -0.08 -0.08 0.01 -0.04 6.97 6.77 2b37A1 GLN 267 HE22 -0.12 -0.04 -0.13 -0.04 7.69 7.36 2b37A1 LEU 268 H -0.12 0.09 0.07 -0.55 8.37 7.87 2b37A1 LEU 268 HA -0.13 0.12 0.48 -0.75 4.35 4.06 2b37A1 LEU 268 HB2 -0.10 0.03 0.07 -0.04 1.64 1.61 2b37A1 LEU 268 HB3 -0.08 -0.09 0.16 -0.04 1.64 1.58 2b37A1 LEU 268 HG -0.07 -0.01 -0.17 -0.04 1.64 1.35 2b37A1 LEU 268 HD13 -0.08 0.01 -0.02 -0.04 0.93 0.80 2b37A1 LEU 268 HD23 -0.06 -0.00 -0.01 -0.04 0.89 0.78 2b37A1 LEU 269 H -0.08 0.04 -0.03 -0.55 8.37 7.75 2b37A1 LEU 269 HA -0.07 0.26 0.62 -0.75 4.35 4.41 2b37A1 LEU 269 HB2 -0.05 -0.04 0.02 -0.04 1.64 1.53 2b37A1 LEU 269 HB3 -0.04 0.03 0.03 -0.04 1.64 1.62 2b37A1 LEU 269 HG -0.04 -0.03 -0.05 -0.04 1.64 1.48 2b37A1 LEU 269 HD13 -0.03 0.00 -0.00 -0.04 0.93 0.86 2b37A1 LEU 269 HD23 -0.06 0.03 -0.20 -0.04 0.89 0.63