============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 2 1.000 -15.599 -22.987 2.690 -99.200 -91.000 PHE 8 1.000 -7.580 -8.475 1.670 -99.200 -91.000 HIS 9 0.900 -10.220 -14.432 -4.369 -99.200 -91.000 HIS 13 0.900 2.149 -5.635 -10.019 -99.200 -91.000 PHE 23 1.000 -1.989 -8.604 0.628 -99.200 -91.000 TRP 27 1.040 3.404 -5.189 9.595 -99.200 -91.000 TRP6 27 1.020 1.448 -4.097 10.454 -99.200 -91.000 TYR 31 0.840 -1.190 5.829 -3.388 -99.200 -91.000 PHE 32 1.000 -7.445 2.592 0.710 -99.200 -91.000 PHE 34 1.000 -6.691 11.849 -8.480 -99.200 -91.000 HIS 36 0.900 -4.922 14.466 -14.024 -99.200 -91.000 PHE 68 1.000 -2.274 2.889 -7.565 -99.200 -91.000 TYR 84 0.840 0.084 5.102 -9.901 -99.200 -91.000 PHE 88 1.000 8.090 6.489 -6.840 -99.200 -91.000 HIS 89 0.900 10.808 -0.075 -5.406 -99.200 -91.000 HIS 107 0.900 -21.938 -0.578 3.103 -99.200 -91.000 TYR 109 0.840 -9.704 -0.483 5.711 -99.200 -91.000 TYR 112 0.840 -15.128 8.617 6.488 -99.200 -91.000 TYR 113 0.840 -13.406 6.193 -1.770 -99.200 -91.000 TYR 124 0.840 -14.180 14.366 -15.830 -99.200 -91.000 HIS 128 0.900 -5.782 12.776 -3.868 -99.200 -91.000 TYR 133 0.840 -6.904 3.429 8.598 -99.200 -91.000 PHE 141 1.000 -9.896 -1.008 13.282 -99.200 -91.000 TYR 144 0.840 -6.136 8.654 10.059 -99.200 -91.000 TYR 145 0.840 2.249 8.421 9.988 -99.200 -91.000 HIS 161 0.900 1.703 0.479 13.476 -99.200 -91.000 PHE 165 1.000 5.570 -7.740 12.123 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2rliA22 SER 97 H -0.04 -0.03 0.10 -0.55 8.46 7.94 2rliA22 SER 97 HA -0.16 -0.01 0.20 -0.75 4.49 3.76 2rliA22 SER 97 HB2 -0.66 -0.04 0.05 -0.04 3.95 3.26 2rliA22 SER 97 HB3 -0.45 -0.02 -0.06 -0.04 3.93 3.37 2rliA22 PHE 98 H -0.01 0.09 0.06 -0.55 8.34 7.93 2rliA22 PHE 98 HA -0.03 0.07 0.13 -0.75 4.62 4.03 2rliA22 PHE 98 HB2 -0.02 0.03 0.06 -0.04 3.15 3.18 2rliA22 PHE 98 HB3 -0.02 0.04 0.14 -0.04 3.06 3.17 2rliA22 PHE 98 HD2 -0.02 0.00 0.04 -0.04 7.28 7.26 2rliA22 PHE 98 HE2 -0.02 0.02 0.00 -0.04 7.38 7.34 2rliA22 PHE 98 HZ -0.02 0.02 -0.00 -0.04 7.32 7.28 2rliA22 THR 99 H 0.04 0.11 -0.66 -0.55 8.28 7.22 2rliA22 THR 99 HA 0.05 0.09 0.47 -0.75 4.39 4.24 2rliA22 THR 99 HB 0.01 0.08 0.07 -0.04 4.32 4.44 2rliA22 THR 99 HG23 0.04 -0.02 -0.04 -0.04 1.22 1.16 2rliA22 GLY 100 H 0.04 0.40 0.16 -0.55 8.43 8.48 2rliA22 GLY 100 HA2 -0.01 -0.07 0.26 -0.51 4.01 3.68 2rliA22 GLY 100 HA3 0.01 0.02 0.28 -0.51 4.01 3.82 2rliA22 GLN 101 H -0.00 -0.15 0.16 -0.55 8.47 7.93 2rliA22 GLN 101 HA 0.02 0.14 0.75 -0.75 4.36 4.51 2rliA22 GLN 101 HB2 0.00 0.01 -0.01 -0.04 2.15 2.12 2rliA22 GLN 101 HB3 0.00 0.17 -0.37 -0.04 2.02 1.78 2rliA22 GLN 101 HG2 -0.02 -0.09 -0.04 -0.04 2.40 2.21 2rliA22 GLN 101 HG3 -0.02 0.06 -0.18 -0.04 2.39 2.21 2rliA22 GLN 101 HE21 -0.01 0.43 0.01 -0.04 6.97 7.36 2rliA22 GLN 101 HE22 -0.02 -0.10 -0.02 -0.04 7.69 7.51 2rliA22 GLY 102 H 0.00 -0.17 0.06 -0.55 8.43 7.79 2rliA22 GLY 102 HA2 0.06 0.02 0.48 -0.51 4.01 4.07 2rliA22 GLY 102 HA3 0.06 0.19 0.66 -0.51 4.01 4.41 2rliA22 ASP 103 H 0.04 0.29 0.25 -0.55 8.40 8.43 2rliA22 ASP 103 HA -0.31 0.11 0.66 -0.75 4.63 4.34 2rliA22 ASP 103 HB2 -0.19 -0.03 0.09 -0.04 2.71 2.54 2rliA22 ASP 103 HB3 -0.14 0.21 -0.21 -0.04 2.70 2.53 2rliA22 PHE 104 H -0.50 0.16 0.26 -0.55 8.34 7.71 2rliA22 PHE 104 HA 0.03 0.13 0.66 -0.75 4.62 4.69 2rliA22 PHE 104 HB2 -0.01 -0.06 0.02 -0.04 3.15 3.05 2rliA22 PHE 104 HB3 -0.03 0.17 -0.18 -0.04 3.06 2.98 2rliA22 PHE 104 HD2 -0.02 0.00 -0.33 -0.04 7.28 6.89 2rliA22 PHE 104 HE2 -0.01 0.07 -0.24 -0.04 7.38 7.17 2rliA22 PHE 104 HZ -0.50 0.11 -0.13 -0.04 7.32 6.77 2rliA22 HIS 105 H 0.27 0.14 0.06 -0.55 8.41 8.33 2rliA22 HIS 105 HA 0.14 0.42 0.84 -0.75 4.63 5.28 2rliA22 HIS 105 HB2 0.02 -0.01 -0.21 -0.04 3.26 3.02 2rliA22 HIS 105 HB3 0.04 -0.04 0.13 -0.04 3.20 3.29 2rliA22 HIS 105 HD2 0.00 0.04 -0.11 -0.04 6.97 6.85 2rliA22 HIS 105 HE1 -0.00 -0.00 -0.03 -0.04 7.75 7.67 2rliA22 LEU 106 H 0.24 0.12 0.03 -0.55 8.37 8.21 2rliA22 LEU 106 HA -0.02 0.09 0.74 -0.75 4.35 4.40 2rliA22 LEU 106 HB2 -0.03 0.00 0.01 -0.04 1.64 1.58 2rliA22 LEU 106 HB3 -0.05 0.04 0.10 -0.04 1.64 1.69 2rliA22 LEU 106 HG -0.04 0.01 -0.09 -0.04 1.64 1.48 2rliA22 LEU 106 HD13 -0.01 -0.02 -0.14 -0.04 0.93 0.71 2rliA22 LEU 106 HD23 -0.15 0.01 -0.19 -0.04 0.89 0.52 2rliA22 LEU 107 H -0.05 0.53 0.35 -0.55 8.37 8.65 2rliA22 LEU 107 HA -0.07 0.21 0.98 -0.75 4.35 4.72 2rliA22 LEU 107 HB2 -0.07 0.00 -0.29 -0.04 1.64 1.25 2rliA22 LEU 107 HB3 -0.10 0.01 -0.27 -0.04 1.64 1.24 2rliA22 LEU 107 HG -0.05 0.06 0.01 -0.04 1.64 1.62 2rliA22 LEU 107 HD13 -0.04 -0.01 -0.23 -0.04 0.93 0.61 2rliA22 LEU 107 HD23 -0.04 -0.00 -0.10 -0.04 0.89 0.71 2rliA22 ASP 108 H -0.07 0.73 0.32 -0.55 8.40 8.83 2rliA22 ASP 108 HA -0.04 0.20 0.62 -0.75 4.63 4.66 2rliA22 ASP 108 HB2 -0.15 -0.03 0.11 -0.04 2.71 2.60 2rliA22 ASP 108 HB3 -0.30 -0.02 0.08 -0.04 2.70 2.42 2rliA22 HIS 109 H -0.00 0.53 0.33 -0.55 8.41 8.72 2rliA22 HIS 109 HA -0.01 -0.01 0.29 -0.75 4.63 4.15 2rliA22 HIS 109 HB2 0.03 0.01 0.06 -0.04 3.26 3.33 2rliA22 HIS 109 HB3 0.02 0.03 0.14 -0.04 3.20 3.35 2rliA22 HIS 109 HD2 0.02 0.02 -0.29 -0.04 6.97 6.68 2rliA22 HIS 109 HE1 0.04 0.25 0.14 -0.04 7.75 8.13 2rliA22 ARG 110 H -0.32 0.02 -0.61 -0.55 8.46 7.00 2rliA22 ARG 110 HA -0.01 0.14 0.61 -0.75 4.34 4.33 2rliA22 ARG 110 HB2 -0.16 0.02 0.02 -0.04 1.90 1.74 2rliA22 ARG 110 HB3 -0.15 -0.05 -0.05 -0.04 1.80 1.51 2rliA22 ARG 110 HG2 -0.06 0.02 -0.05 -0.04 1.67 1.55 2rliA22 ARG 110 HG3 -0.05 0.01 -0.18 -0.04 1.67 1.42 2rliA22 ARG 110 HD2 -0.00 0.01 0.11 -0.04 3.22 3.30 2rliA22 ARG 110 HD3 -0.01 0.01 0.01 -0.04 3.22 3.20 2rliA22 GLY 111 H -0.05 0.52 -0.09 -0.55 8.43 8.26 2rliA22 GLY 111 HA2 -0.03 -0.04 0.25 -0.51 4.01 3.68 2rliA22 GLY 111 HA3 -0.02 0.11 0.62 -0.51 4.01 4.21 2rliA22 ARG 112 H -0.07 0.18 0.09 -0.55 8.46 8.11 2rliA22 ARG 112 HA -0.04 0.15 0.78 -0.75 4.34 4.47 2rliA22 ARG 112 HB2 -0.05 0.07 -0.25 -0.04 1.90 1.62 2rliA22 ARG 112 HB3 -0.08 -0.08 -0.02 -0.04 1.80 1.58 2rliA22 ARG 112 HG2 -0.05 0.10 -0.01 -0.04 1.67 1.68 2rliA22 ARG 112 HG3 -0.04 0.01 0.01 -0.04 1.67 1.62 2rliA22 ARG 112 HD2 -0.06 -0.03 -0.06 -0.04 3.22 3.03 2rliA22 ARG 112 HD3 -0.06 0.03 -0.09 -0.04 3.22 3.05 2rliA22 ALA 113 H -0.06 0.15 0.13 -0.55 8.40 8.07 2rliA22 ALA 113 HA -0.15 0.13 0.67 -0.75 4.34 4.24 2rliA22 ALA 113 HB3 -0.35 0.01 0.02 -0.04 1.41 1.05 2rliA22 ARG 114 H -0.10 0.67 0.31 -0.55 8.46 8.78 2rliA22 ARG 114 HA 0.00 0.11 0.70 -0.75 4.34 4.40 2rliA22 ARG 114 HB2 0.21 -0.04 -0.04 -0.04 1.90 1.98 2rliA22 ARG 114 HB3 0.13 0.08 -0.10 -0.04 1.80 1.87 2rliA22 ARG 114 HG2 -0.12 0.06 -0.03 -0.04 1.67 1.54 2rliA22 ARG 114 HG3 -0.06 -0.05 -0.25 -0.04 1.67 1.28 2rliA22 ARG 114 HD2 -0.02 -0.07 -0.16 -0.04 3.22 2.93 2rliA22 ARG 114 HD3 -0.74 0.04 -0.16 -0.04 3.22 2.33 2rliA22 CYS 115 H 0.07 0.17 0.15 -0.55 8.50 8.33 2rliA22 CYS 115 HA 0.13 0.33 0.95 -0.75 4.58 5.23 2rliA22 CYS 115 HB2 0.05 0.09 0.10 -0.04 2.97 3.16 2rliA22 CYS 115 HB3 -0.01 -0.03 0.10 -0.04 2.97 3.00 2rliA22 LYS 116 H -0.44 0.29 0.25 -0.55 8.42 7.96 2rliA22 LYS 116 HA -0.60 0.10 0.44 -0.75 4.32 3.51 2rliA22 LYS 116 HB2 -1.33 -0.11 0.23 -0.04 1.87 0.62 2rliA22 LYS 116 HB3 -0.42 -0.03 0.19 -0.04 1.79 1.49 2rliA22 LYS 116 HG2 -0.20 -0.03 -0.08 -0.04 1.46 1.11 2rliA22 LYS 116 HG3 -0.25 0.23 0.11 -0.04 1.46 1.51 2rliA22 LYS 116 HD2 -0.14 -0.03 -0.11 -0.04 1.69 1.37 2rliA22 LYS 116 HD3 -0.12 -0.02 -0.48 -0.04 1.68 1.02 2rliA22 LYS 116 HE2 -0.05 0.01 -0.14 -0.04 2.99 2.77 2rliA22 LYS 116 HE3 -0.05 -0.21 -0.40 -0.04 2.99 2.29 2rliA22 ALA 117 H -0.10 -0.00 -0.35 -0.55 8.40 7.40 2rliA22 ALA 117 HA -0.03 0.15 0.41 -0.75 4.34 4.12 2rliA22 ALA 117 HB3 -0.05 0.02 0.04 -0.04 1.41 1.37 2rliA22 ASP 118 H 0.03 0.35 -0.27 -0.55 8.40 7.95 2rliA22 ASP 118 HA -0.05 0.15 0.44 -0.75 4.63 4.42 2rliA22 ASP 118 HB2 -0.11 0.05 0.08 -0.04 2.71 2.70 2rliA22 ASP 118 HB3 -0.15 0.07 0.05 -0.04 2.70 2.62 2rliA22 PHE 119 H 0.23 0.12 -0.34 -0.55 8.34 7.80 2rliA22 PHE 119 HA 0.06 0.14 0.49 -0.75 4.62 4.55 2rliA22 PHE 119 HB2 0.10 0.09 -0.00 -0.04 3.15 3.30 2rliA22 PHE 119 HB3 0.10 0.02 -0.11 -0.04 3.06 3.03 2rliA22 PHE 119 HD2 0.17 0.14 -0.11 -0.04 7.28 7.44 2rliA22 PHE 119 HE2 0.14 -0.01 -0.20 -0.04 7.38 7.28 2rliA22 PHE 119 HZ 0.01 -0.07 -0.18 -0.04 7.32 7.04 2rliA22 ARG 120 H 0.08 0.18 -0.52 -0.55 8.46 7.65 2rliA22 ARG 120 HA 0.02 -0.06 0.62 -0.75 4.34 4.17 2rliA22 ARG 120 HB2 -0.00 -0.04 0.05 -0.04 1.90 1.87 2rliA22 ARG 120 HB3 0.00 0.15 0.19 -0.04 1.80 2.10 2rliA22 ARG 120 HG2 -0.01 -0.04 -0.06 -0.04 1.67 1.52 2rliA22 ARG 120 HG3 -0.01 0.02 0.12 -0.04 1.67 1.75 2rliA22 ARG 120 HD2 -0.03 0.10 0.15 -0.04 3.22 3.40 2rliA22 ARG 120 HD3 -0.02 -0.10 0.06 -0.04 3.22 3.12 2rliA22 GLY 121 H 0.01 0.09 0.32 -0.55 8.43 8.30 2rliA22 GLY 121 HA2 0.08 0.01 0.38 -0.51 4.01 3.97 2rliA22 GLY 121 HA3 0.05 0.13 0.68 -0.51 4.01 4.35 2rliA22 GLN 122 H 0.09 0.33 -0.03 -0.55 8.47 8.31 2rliA22 GLN 122 HA 0.15 0.14 0.74 -0.75 4.36 4.64 2rliA22 GLN 122 HB2 0.13 0.07 0.00 -0.04 2.15 2.31 2rliA22 GLN 122 HB3 0.12 -0.07 0.07 -0.04 2.02 2.09 2rliA22 GLN 122 HG2 0.06 0.04 -0.12 -0.04 2.40 2.34 2rliA22 GLN 122 HG3 0.03 0.07 -0.42 -0.04 2.39 2.03 2rliA22 GLN 122 HE21 -0.12 0.53 0.07 -0.04 6.97 7.42 2rliA22 GLN 122 HE22 -0.16 -0.17 -0.06 -0.04 7.69 7.27 2rliA22 TRP 123 H 0.07 -0.06 0.17 -0.55 7.97 7.61 2rliA22 TRP 123 HA -0.06 -0.05 0.31 -0.75 4.62 4.06 2rliA22 TRP 123 HB2 -0.10 0.31 -0.03 -0.04 3.23 3.37 2rliA22 TRP 123 HB3 -0.10 -0.08 0.11 -0.04 3.23 3.12 2rliA22 TRP 123 HD1 -0.63 0.30 -0.07 -0.04 7.22 6.78 2rliA22 TRP 123 HE1 -1.33 0.01 -0.08 -0.04 10.20 8.76 2rliA22 TRP 123 HE3 -0.13 0.09 0.06 -0.04 7.59 7.57 2rliA22 TRP 123 HZ2 -0.17 0.02 -0.05 -0.04 7.44 7.20 2rliA22 TRP 123 HZ3 -0.11 -0.10 -0.54 -0.04 7.13 6.34 2rliA22 TRP 123 HH2 -0.12 -0.02 -0.10 -0.04 7.19 6.91 2rliA22 VAL 124 H 0.61 0.38 0.20 -0.55 8.24 8.88 2rliA22 VAL 124 HA 0.18 0.34 0.58 -0.75 4.13 4.48 2rliA22 VAL 124 HB 0.01 -0.11 -0.03 -0.04 2.12 1.95 2rliA22 VAL 124 HG13 -0.25 -0.02 -0.14 -0.04 0.97 0.52 2rliA22 VAL 124 HG23 -0.02 0.05 -0.33 -0.04 0.95 0.61 2rliA22 LEU 125 H 0.05 0.56 0.21 -0.55 8.37 8.64 2rliA22 LEU 125 HA 0.01 0.23 0.88 -0.75 4.35 4.71 2rliA22 LEU 125 HB2 -0.12 0.05 -0.17 -0.04 1.64 1.36 2rliA22 LEU 125 HB3 -0.02 -0.03 -0.02 -0.04 1.64 1.53 2rliA22 LEU 125 HG 0.00 -0.06 -0.29 -0.04 1.64 1.25 2rliA22 LEU 125 HD13 -0.08 0.03 -0.19 -0.04 0.93 0.64 2rliA22 LEU 125 HD23 -0.09 -0.01 -0.12 -0.04 0.89 0.64 2rliA22 MET 126 H 0.07 0.71 0.12 -0.55 8.47 8.83 2rliA22 MET 126 HA -0.24 0.12 0.31 -0.75 4.52 3.96 2rliA22 MET 126 HB2 0.23 -0.09 0.26 -0.04 2.15 2.51 2rliA22 MET 126 HB3 -0.45 -0.02 0.00 -0.04 2.03 1.52 2rliA22 MET 126 HG2 0.05 0.11 -0.18 -0.04 2.63 2.56 2rliA22 MET 126 HG3 0.08 -0.01 -0.14 -0.04 2.56 2.45 2rliA22 MET 126 HE3 -0.47 -0.01 -0.16 -0.04 2.10 1.42 2rliA22 TYR 127 H -0.01 0.66 0.39 -0.55 8.29 8.78 2rliA22 TYR 127 HA 0.05 0.03 0.83 -0.75 4.56 4.71 2rliA22 TYR 127 HB2 0.02 -0.01 0.04 -0.04 3.06 3.07 2rliA22 TYR 127 HB3 0.03 0.13 0.21 -0.04 2.98 3.30 2rliA22 TYR 127 HD2 0.09 0.01 -0.00 -0.04 7.15 7.20 2rliA22 TYR 127 HE2 -0.29 0.01 -0.07 -0.04 6.85 6.45 2rliA22 PHE 128 H 0.13 0.21 0.16 -0.55 8.34 8.29 2rliA22 PHE 128 HA -0.26 0.22 0.85 -0.75 4.62 4.68 2rliA22 PHE 128 HB2 -0.00 -0.05 0.16 -0.04 3.15 3.21 2rliA22 PHE 128 HB3 -0.16 0.01 0.01 -0.04 3.06 2.87 2rliA22 PHE 128 HD2 -0.01 0.03 -0.02 -0.04 7.28 7.24 2rliA22 PHE 128 HE2 0.12 0.00 -0.05 -0.04 7.38 7.41 2rliA22 PHE 128 HZ -0.03 0.01 -0.11 -0.04 7.32 7.15 2rliA22 GLY 129 H -0.15 0.69 0.34 -0.55 8.43 8.76 2rliA22 GLY 129 HA2 0.04 0.15 0.79 -0.51 4.01 4.48 2rliA22 GLY 129 HA3 -0.12 0.02 0.16 -0.51 4.01 3.56 2rliA22 PHE 130 H 0.39 0.26 0.17 -0.55 8.34 8.61 2rliA22 PHE 130 HA 0.07 0.08 0.56 -0.75 4.62 4.58 2rliA22 PHE 130 HB2 0.02 0.05 0.03 -0.04 3.15 3.21 2rliA22 PHE 130 HB3 -0.05 0.05 -0.29 -0.04 3.06 2.73 2rliA22 PHE 130 HD2 -0.10 0.01 -0.04 -0.04 7.28 7.11 2rliA22 PHE 130 HE2 -0.06 0.03 0.01 -0.04 7.38 7.31 2rliA22 PHE 130 HZ 0.11 -0.02 0.06 -0.04 7.32 7.42 2rliA22 THR 131 H 0.05 0.18 0.05 -0.55 8.28 8.00 2rliA22 THR 131 HA 0.03 0.12 0.53 -0.75 4.39 4.33 2rliA22 THR 131 HB 0.01 0.07 0.08 -0.04 4.32 4.44 2rliA22 THR 131 HG23 0.16 -0.01 -0.04 -0.04 1.22 1.30 2rliA22 HIS 132 H -0.33 0.38 0.11 -0.55 8.41 8.02 2rliA22 HIS 132 HA -0.22 0.08 0.28 -0.75 4.63 4.02 2rliA22 HIS 132 HB2 -0.83 0.01 -0.11 -0.04 3.26 2.29 2rliA22 HIS 132 HB3 -0.24 -0.19 0.17 -0.04 3.20 2.90 2rliA22 HIS 132 HD2 -0.01 -0.01 -0.02 -0.04 6.97 6.88 2rliA22 HIS 132 HE1 -0.06 -0.02 0.02 -0.04 7.75 7.64 2rliA22 CYS 133 H 0.06 0.05 0.08 -0.55 8.50 8.14 2rliA22 CYS 133 HA 0.37 0.02 0.39 -0.75 4.58 4.61 2rliA22 CYS 133 HB2 0.30 -0.02 -0.04 -0.04 2.97 3.18 2rliA22 CYS 133 HB3 0.12 0.24 0.22 -0.04 2.97 3.52 2rliA22 PRO 134 HA 0.06 0.20 0.69 -0.51 4.44 4.89 2rliA22 PRO 134 HB2 0.06 0.07 0.13 -0.04 2.28 2.49 2rliA22 PRO 134 HB3 0.08 0.07 0.11 -0.04 2.02 2.24 2rliA22 PRO 134 HG2 0.10 -0.09 0.06 -0.04 2.03 2.06 2rliA22 PRO 134 HG3 0.10 0.11 0.08 -0.04 2.03 2.28 2rliA22 PRO 134 HD2 0.23 0.01 0.20 -0.04 3.68 4.08 2rliA22 PRO 134 HD3 0.21 0.14 0.13 -0.04 3.65 4.09 2rliA22 ASP 135 H 0.07 0.16 -0.04 -0.55 8.40 8.03 2rliA22 ASP 135 HA 0.05 0.08 0.30 -0.75 4.63 4.30 2rliA22 ASP 135 HB2 0.02 0.14 -0.03 -0.04 2.71 2.80 2rliA22 ASP 135 HB3 0.03 -0.00 0.13 -0.04 2.70 2.81 2rliA22 ILE 136 H 0.12 0.06 0.01 -0.55 8.25 7.89 2rliA22 ILE 136 HA 0.06 0.19 0.52 -0.75 4.18 4.19 2rliA22 ILE 136 HB 0.07 0.10 0.11 -0.04 1.89 2.12 2rliA22 ILE 136 HG12 0.03 0.10 0.07 -0.04 1.49 1.65 2rliA22 ILE 136 HG13 0.08 -0.01 -0.03 -0.04 1.21 1.21 2rliA22 ILE 136 HG23 0.15 0.00 0.09 -0.04 0.93 1.13 2rliA22 ILE 136 HD13 0.04 -0.00 0.12 -0.04 0.88 1.00 2rliA22 CYS 137 H 0.21 0.11 0.16 -0.55 8.50 8.43 2rliA22 CYS 137 HA 0.03 0.12 0.58 -0.75 4.58 4.56 2rliA22 CYS 137 HB2 0.21 0.06 0.17 -0.04 2.97 3.36 2rliA22 CYS 137 HB3 0.10 0.05 0.04 -0.04 2.97 3.12 2rliA22 PRO 138 HA 0.08 0.09 0.55 -0.51 4.44 4.65 2rliA22 PRO 138 HB2 0.08 0.10 0.05 -0.04 2.28 2.46 2rliA22 PRO 138 HB3 0.08 0.08 0.07 -0.04 2.02 2.20 2rliA22 PRO 138 HG2 0.03 0.03 -0.00 -0.04 2.03 2.04 2rliA22 PRO 138 HG3 -0.01 0.20 0.04 -0.04 2.03 2.21 2rliA22 PRO 138 HD2 0.09 -0.25 0.07 -0.04 3.68 3.54 2rliA22 PRO 138 HD3 0.06 0.20 0.08 -0.04 3.65 3.95 2rliA22 ASP 139 H 0.03 0.05 -1.07 -0.55 8.40 6.86 2rliA22 ASP 139 HA 0.03 0.15 0.72 -0.75 4.63 4.78 2rliA22 ASP 139 HB2 0.03 0.16 -0.10 -0.04 2.71 2.76 2rliA22 ASP 139 HB3 0.03 0.09 0.11 -0.04 2.70 2.89 2rliA22 GLU 140 H -0.01 0.62 0.08 -0.55 8.60 8.76 2rliA22 GLU 140 HA -0.03 -0.01 0.37 -0.75 4.29 3.87 2rliA22 GLU 140 HB2 -0.10 0.11 0.23 -0.04 2.09 2.29 2rliA22 GLU 140 HB3 -0.07 -0.01 0.00 -0.04 1.99 1.87 2rliA22 GLU 140 HG2 0.04 0.07 0.10 -0.04 2.34 2.51 2rliA22 GLU 140 HG3 0.08 -0.01 0.03 -0.04 2.34 2.40 2rliA22 LEU 141 H -0.19 0.60 -0.07 -0.55 8.37 8.17 2rliA22 LEU 141 HA -0.33 0.05 0.42 -0.75 4.35 3.73 2rliA22 LEU 141 HB2 -0.30 -0.03 0.11 -0.04 1.64 1.38 2rliA22 LEU 141 HB3 -0.99 0.07 0.02 -0.04 1.64 0.70 2rliA22 LEU 141 HG -0.51 0.07 0.01 -0.04 1.64 1.17 2rliA22 LEU 141 HD13 -0.13 -0.01 -0.10 -0.04 0.93 0.65 2rliA22 LEU 141 HD23 -0.32 0.00 -0.03 -0.04 0.89 0.51 2rliA22 GLU 142 H -0.09 0.25 -0.31 -0.55 8.60 7.90 2rliA22 GLU 142 HA -0.01 0.04 0.42 -0.75 4.29 3.98 2rliA22 GLU 142 HB2 0.28 0.03 0.16 -0.04 2.09 2.52 2rliA22 GLU 142 HB3 0.06 0.20 0.20 -0.04 1.99 2.42 2rliA22 GLU 142 HG2 0.06 -0.07 -0.04 -0.04 2.34 2.25 2rliA22 GLU 142 HG3 0.10 0.00 0.04 -0.04 2.34 2.45 2rliA22 LYS 143 H -0.06 0.57 -0.27 -0.55 8.42 8.11 2rliA22 LYS 143 HA -0.02 -0.02 0.39 -0.75 4.32 3.92 2rliA22 LYS 143 HB2 -0.01 0.17 -0.07 -0.04 1.87 1.92 2rliA22 LYS 143 HB3 -0.03 0.08 0.12 -0.04 1.79 1.91 2rliA22 LYS 143 HG2 0.01 0.01 -0.12 -0.04 1.46 1.32 2rliA22 LYS 143 HG3 -0.01 -0.05 -0.11 -0.04 1.46 1.25 2rliA22 LYS 143 HD2 0.01 -0.24 0.01 -0.04 1.69 1.43 2rliA22 LYS 143 HD3 -0.00 0.03 0.04 -0.04 1.68 1.71 2rliA22 LYS 143 HE2 0.02 0.03 -0.04 -0.04 2.99 2.95 2rliA22 LYS 143 HE3 0.01 -0.03 0.02 -0.04 2.99 2.96 2rliA22 LEU 144 H -0.10 0.74 -0.02 -0.55 8.37 8.44 2rliA22 LEU 144 HA -0.08 -0.04 0.48 -0.75 4.35 3.95 2rliA22 LEU 144 HB2 -0.15 0.13 0.21 -0.04 1.64 1.78 2rliA22 LEU 144 HB3 -0.09 0.00 0.03 -0.04 1.64 1.54 2rliA22 LEU 144 HG -0.08 0.04 0.05 -0.04 1.64 1.61 2rliA22 LEU 144 HD13 -0.09 -0.02 -0.10 -0.04 0.93 0.68 2rliA22 LEU 144 HD23 -0.10 -0.01 -0.04 -0.04 0.89 0.69 2rliA22 VAL 145 H -0.15 0.75 -0.02 -0.55 8.24 8.27 2rliA22 VAL 145 HA -0.04 0.00 0.30 -0.75 4.13 3.64 2rliA22 VAL 145 HB -0.08 0.04 0.19 -0.04 2.12 2.23 2rliA22 VAL 145 HG13 0.08 -0.01 -0.09 -0.04 0.97 0.91 2rliA22 VAL 145 HG23 -0.12 -0.00 0.00 -0.04 0.95 0.79 2rliA22 GLN 146 H -0.03 0.52 -0.26 -0.55 8.47 8.15 2rliA22 GLN 146 HA -0.02 0.04 0.56 -0.75 4.36 4.19 2rliA22 GLN 146 HB2 -0.02 0.13 0.23 -0.04 2.15 2.45 2rliA22 GLN 146 HB3 -0.01 -0.09 0.04 -0.04 2.02 1.92 2rliA22 GLN 146 HG2 0.00 -0.04 0.05 -0.04 2.40 2.37 2rliA22 GLN 146 HG3 0.01 0.08 0.07 -0.04 2.39 2.50 2rliA22 GLN 146 HE21 0.01 0.48 -0.27 -0.04 6.97 7.14 2rliA22 GLN 146 HE22 0.01 -0.10 -0.11 -0.04 7.69 7.45 2rliA22 VAL 147 H -0.04 0.54 0.06 -0.55 8.24 8.25 2rliA22 VAL 147 HA -0.03 -0.03 0.34 -0.75 4.13 3.66 2rliA22 VAL 147 HB -0.06 0.08 0.18 -0.04 2.12 2.28 2rliA22 VAL 147 HG13 -0.06 -0.02 -0.08 -0.04 0.97 0.76 2rliA22 VAL 147 HG23 -0.04 -0.00 0.10 -0.04 0.95 0.97 2rliA22 VAL 148 H -0.05 0.84 -0.03 -0.55 8.24 8.45 2rliA22 VAL 148 HA -0.04 0.01 0.39 -0.75 4.13 3.74 2rliA22 VAL 148 HB -0.03 0.01 0.07 -0.04 2.12 2.13 2rliA22 VAL 148 HG13 -0.05 0.02 -0.00 -0.04 0.97 0.90 2rliA22 VAL 148 HG23 -0.05 0.04 -0.07 -0.04 0.95 0.82 2rliA22 ARG 149 H -0.04 0.38 -0.31 -0.55 8.46 7.94 2rliA22 ARG 149 HA -0.04 0.05 0.51 -0.75 4.34 4.10 2rliA22 ARG 149 HB2 -0.03 0.17 0.20 -0.04 1.90 2.19 2rliA22 ARG 149 HB3 -0.03 -0.06 0.05 -0.04 1.80 1.72 2rliA22 ARG 149 HG2 -0.07 0.08 0.10 -0.04 1.67 1.74 2rliA22 ARG 149 HG3 -0.04 -0.03 0.07 -0.04 1.67 1.63 2rliA22 ARG 149 HD2 -0.06 -0.01 0.03 -0.04 3.22 3.14 2rliA22 ARG 149 HD3 -0.10 -0.01 -0.01 -0.04 3.22 3.06 2rliA22 GLN 150 H -0.02 0.35 -0.15 -0.55 8.47 8.09 2rliA22 GLN 150 HA -0.01 0.04 0.63 -0.75 4.36 4.27 2rliA22 GLN 150 HB2 -0.01 -0.02 0.12 -0.04 2.15 2.20 2rliA22 GLN 150 HB3 -0.02 0.11 0.16 -0.04 2.02 2.23 2rliA22 GLN 150 HG2 -0.01 0.00 -0.07 -0.04 2.40 2.29 2rliA22 GLN 150 HG3 -0.01 -0.01 0.09 -0.04 2.39 2.42 2rliA22 GLN 150 HE21 -0.01 0.03 0.01 -0.04 6.97 6.96 2rliA22 GLN 150 HE22 -0.01 -0.05 -0.01 -0.04 7.69 7.58 2rliA22 LEU 151 H -0.02 0.49 -0.03 -0.55 8.37 8.27 2rliA22 LEU 151 HA 0.00 -0.01 0.49 -0.75 4.35 4.08 2rliA22 LEU 151 HB2 -0.02 0.03 0.14 -0.04 1.64 1.75 2rliA22 LEU 151 HB3 0.00 0.11 0.03 -0.04 1.64 1.74 2rliA22 LEU 151 HG -0.03 0.04 -0.01 -0.04 1.64 1.60 2rliA22 LEU 151 HD13 -0.06 -0.02 -0.11 -0.04 0.93 0.70 2rliA22 LEU 151 HD23 -0.01 -0.01 -0.03 -0.04 0.89 0.80 2rliA22 GLU 152 H -0.01 0.57 -0.07 -0.55 8.60 8.54 2rliA22 GLU 152 HA 0.01 0.07 0.56 -0.75 4.29 4.18 2rliA22 GLU 152 HB2 -0.01 0.07 0.11 -0.04 2.09 2.21 2rliA22 GLU 152 HB3 -0.00 -0.05 0.02 -0.04 1.99 1.91 2rliA22 GLU 152 HG2 0.01 -0.01 0.01 -0.04 2.34 2.31 2rliA22 GLU 152 HG3 -0.01 0.09 0.04 -0.04 2.34 2.42 2rliA22 ALA 153 H -0.00 0.19 -0.44 -0.55 8.40 7.60 2rliA22 ALA 153 HA 0.00 0.04 0.67 -0.75 4.34 4.30 2rliA22 ALA 153 HB3 -0.00 -0.01 0.12 -0.04 1.41 1.48 2rliA22 GLU 154 H 0.00 0.54 0.08 -0.55 8.60 8.68 2rliA22 GLU 154 HA 0.01 0.03 0.31 -0.75 4.29 3.88 2rliA22 GLU 154 HB2 0.00 0.01 0.10 -0.04 2.09 2.16 2rliA22 GLU 154 HB3 0.01 0.04 0.19 -0.04 1.99 2.19 2rliA22 GLU 154 HG2 0.01 -0.13 -0.14 -0.04 2.34 2.04 2rliA22 GLU 154 HG3 0.01 0.04 -0.00 -0.04 2.34 2.34 2rliA22 PRO 155 HA 0.01 0.17 0.10 -0.51 4.44 4.21 2rliA22 PRO 155 HB2 0.01 0.00 0.18 -0.04 2.28 2.43 2rliA22 PRO 155 HB3 0.01 0.05 0.12 -0.04 2.02 2.16 2rliA22 PRO 155 HG2 0.01 0.01 0.02 -0.04 2.03 2.02 2rliA22 PRO 155 HG3 0.01 0.00 0.08 -0.04 2.03 2.08 2rliA22 PRO 155 HD2 0.01 0.02 0.17 -0.04 3.68 3.84 2rliA22 PRO 155 HD3 0.01 0.24 0.25 -0.04 3.65 4.10 2rliA22 GLY 156 H 0.02 0.20 -0.57 -0.55 8.43 7.54 2rliA22 GLY 156 HA2 0.02 0.14 0.66 -0.51 4.01 4.32 2rliA22 GLY 156 HA3 0.03 -0.05 0.26 -0.51 4.01 3.74 2rliA22 LEU 157 H 0.03 0.41 0.20 -0.55 8.37 8.47 2rliA22 LEU 157 HA 0.05 0.14 0.34 -0.75 4.35 4.12 2rliA22 LEU 157 HB2 0.04 -0.07 0.02 -0.04 1.64 1.59 2rliA22 LEU 157 HB3 0.03 0.21 0.07 -0.04 1.64 1.91 2rliA22 LEU 157 HG 0.03 0.01 -0.09 -0.04 1.64 1.55 2rliA22 LEU 157 HD13 0.02 -0.01 -0.03 -0.04 0.93 0.87 2rliA22 LEU 157 HD23 0.02 -0.04 -0.29 -0.04 0.89 0.53 2rliA22 PRO 158 HA 0.30 0.19 0.72 -0.51 4.44 5.14 2rliA22 PRO 158 HB2 0.43 0.00 -0.09 -0.04 2.28 2.58 2rliA22 PRO 158 HB3 0.42 0.04 0.02 -0.04 2.02 2.46 2rliA22 PRO 158 HG2 0.08 -0.06 0.01 -0.04 2.03 2.02 2rliA22 PRO 158 HG3 0.15 -0.00 -0.06 -0.04 2.03 2.07 2rliA22 PRO 158 HD2 0.07 0.04 0.07 -0.04 3.68 3.81 2rliA22 PRO 158 HD3 0.09 0.05 -0.32 -0.04 3.65 3.43 2rliA22 PRO 159 HA 0.10 0.04 0.50 -0.51 4.44 4.58 2rliA22 PRO 159 HB2 0.15 0.03 -0.07 -0.04 2.28 2.35 2rliA22 PRO 159 HB3 0.11 0.01 0.03 -0.04 2.02 2.13 2rliA22 PRO 159 HG2 0.30 0.00 0.04 -0.04 2.03 2.33 2rliA22 PRO 159 HG3 0.16 0.03 0.07 -0.04 2.03 2.25 2rliA22 PRO 159 HD2 0.42 0.03 0.22 -0.04 3.68 4.32 2rliA22 PRO 159 HD3 0.17 0.34 0.19 -0.04 3.65 4.30 2rliA22 VAL 160 H 0.05 0.18 0.07 -0.55 8.24 8.00 2rliA22 VAL 160 HA 0.13 0.17 0.66 -0.75 4.13 4.33 2rliA22 VAL 160 HB -0.12 -0.05 0.01 -0.04 2.12 1.92 2rliA22 VAL 160 HG13 -0.23 -0.04 -0.32 -0.04 0.97 0.34 2rliA22 VAL 160 HG23 -0.51 0.02 -0.29 -0.04 0.95 0.13 2rliA22 GLN 161 H 0.19 0.52 0.05 -0.55 8.47 8.68 2rliA22 GLN 161 HA 0.10 0.14 0.76 -0.75 4.36 4.61 2rliA22 GLN 161 HB2 0.15 0.10 0.07 -0.04 2.15 2.43 2rliA22 GLN 161 HB3 0.25 0.02 0.04 -0.04 2.02 2.29 2rliA22 GLN 161 HG2 0.12 0.12 0.02 -0.04 2.40 2.61 2rliA22 GLN 161 HG3 0.09 -0.03 -0.00 -0.04 2.39 2.41 2rliA22 GLN 161 HE21 0.23 0.43 -0.22 -0.04 6.97 7.37 2rliA22 GLN 161 HE22 0.27 -0.19 -0.13 -0.04 7.69 7.59 2rliA22 PRO 162 HA 0.04 0.09 0.75 -0.51 4.44 4.81 2rliA22 PRO 162 HB2 0.05 -0.04 -0.02 -0.04 2.28 2.23 2rliA22 PRO 162 HB3 0.01 -0.00 0.07 -0.04 2.02 2.05 2rliA22 PRO 162 HG2 0.07 -0.08 0.12 -0.04 2.03 2.10 2rliA22 PRO 162 HG3 0.04 0.04 0.09 -0.04 2.03 2.16 2rliA22 PRO 162 HD2 0.08 0.13 0.29 -0.04 3.68 4.14 2rliA22 PRO 162 HD3 0.04 0.27 0.20 -0.04 3.65 4.12 2rliA22 VAL 163 H 0.04 0.69 0.37 -0.55 8.24 8.78 2rliA22 VAL 163 HA 0.10 0.14 0.42 -0.75 4.13 4.04 2rliA22 VAL 163 HB -0.04 -0.06 -0.13 -0.04 2.12 1.84 2rliA22 VAL 163 HG13 0.18 0.01 -0.21 -0.04 0.97 0.92 2rliA22 VAL 163 HG23 -0.21 -0.01 -0.14 -0.04 0.95 0.54 2rliA22 PHE 164 H 0.18 0.55 0.27 -0.55 8.34 8.79 2rliA22 PHE 164 HA -0.06 0.25 0.93 -0.75 4.62 4.99 2rliA22 PHE 164 HB2 0.20 0.03 0.09 -0.04 3.15 3.43 2rliA22 PHE 164 HB3 -0.00 0.05 0.28 -0.04 3.06 3.35 2rliA22 PHE 164 HD2 -0.38 0.10 -0.04 -0.04 7.28 6.92 2rliA22 PHE 164 HE2 -0.61 -0.07 -0.22 -0.04 7.38 6.44 2rliA22 PHE 164 HZ -0.58 -0.05 -0.26 -0.04 7.32 6.39 2rliA22 ILE 165 H -0.28 0.78 0.32 -0.55 8.25 8.52 2rliA22 ILE 165 HA -0.53 0.27 0.90 -0.75 4.18 4.07 2rliA22 ILE 165 HB -0.35 -0.01 -0.00 -0.04 1.89 1.49 2rliA22 ILE 165 HG12 -0.28 0.02 -0.24 -0.04 1.49 0.95 2rliA22 ILE 165 HG13 -0.38 0.02 -0.48 -0.04 1.21 0.33 2rliA22 ILE 165 HG23 -0.16 0.02 -0.18 -0.04 0.93 0.57 2rliA22 ILE 165 HD13 -0.39 -0.00 -0.19 -0.04 0.88 0.26 2rliA22 THR 166 H -0.55 0.24 0.15 -0.55 8.28 7.57 2rliA22 THR 166 HA -0.18 0.24 0.65 -0.75 4.39 4.35 2rliA22 THR 166 HB -0.29 -0.04 0.16 -0.04 4.32 4.11 2rliA22 THR 166 HG23 -0.04 -0.02 -0.09 -0.04 1.22 1.03 2rliA22 VAL 167 H -0.09 0.65 0.27 -0.55 8.24 8.52 2rliA22 VAL 167 HA -0.20 0.10 0.48 -0.75 4.13 3.76 2rliA22 VAL 167 HB -0.88 0.02 0.09 -0.04 2.12 1.31 2rliA22 VAL 167 HG13 -0.33 0.01 -0.08 -0.04 0.97 0.52 2rliA22 VAL 167 HG23 -0.21 0.02 -0.06 -0.04 0.95 0.66 2rliA22 ASP 168 H -0.06 0.28 -0.80 -0.55 8.40 7.26 2rliA22 ASP 168 HA 0.02 0.17 0.55 -0.75 4.63 4.61 2rliA22 ASP 168 HB2 0.06 0.09 -0.19 -0.04 2.71 2.62 2rliA22 ASP 168 HB3 0.05 -0.12 -0.00 -0.04 2.70 2.59 2rliA22 PRO 169 HA -0.02 0.05 0.57 -0.51 4.44 4.53 2rliA22 PRO 169 HB2 -0.00 -0.11 0.12 -0.04 2.28 2.24 2rliA22 PRO 169 HB3 -0.01 0.11 0.08 -0.04 2.02 2.16 2rliA22 PRO 169 HG2 0.01 0.06 -0.04 -0.04 2.03 2.03 2rliA22 PRO 169 HG3 0.01 0.04 -0.00 -0.04 2.03 2.04 2rliA22 PRO 169 HD2 0.02 0.18 0.09 -0.04 3.68 3.93 2rliA22 PRO 169 HD3 -0.01 0.15 -0.04 -0.04 3.65 3.71 2rliA22 GLU 170 H -0.00 0.11 0.22 -0.55 8.60 8.38 2rliA22 GLU 170 HA 0.00 0.01 0.37 -0.75 4.29 3.92 2rliA22 GLU 170 HB2 0.01 0.06 0.22 -0.04 2.09 2.34 2rliA22 GLU 170 HB3 0.01 -0.12 0.11 -0.04 1.99 1.95 2rliA22 GLU 170 HG2 0.01 -0.12 -0.52 -0.04 2.34 1.67 2rliA22 GLU 170 HG3 0.02 0.19 0.04 -0.04 2.34 2.54 2rliA22 ARG 171 H 0.00 -0.13 -0.41 -0.55 8.46 7.38 2rliA22 ARG 171 HA 0.01 0.12 0.49 -0.75 4.34 4.21 2rliA22 ARG 171 HB2 0.03 -0.03 0.09 -0.04 1.90 1.94 2rliA22 ARG 171 HB3 0.03 0.12 -0.16 -0.04 1.80 1.75 2rliA22 ARG 171 HG2 0.05 -0.00 -0.15 -0.04 1.67 1.52 2rliA22 ARG 171 HG3 0.02 0.12 -0.39 -0.04 1.67 1.39 2rliA22 ARG 171 HD2 0.04 0.10 -0.09 -0.04 3.22 3.23 2rliA22 ARG 171 HD3 0.03 -0.08 -0.55 -0.04 3.22 2.58 2rliA22 ASP 172 H -0.00 -0.13 0.13 -0.55 8.40 7.84 2rliA22 ASP 172 HA 0.00 0.13 0.74 -0.75 4.63 4.75 2rliA22 ASP 172 HB2 -0.04 0.13 0.12 -0.04 2.71 2.87 2rliA22 ASP 172 HB3 -0.03 -0.06 0.14 -0.04 2.70 2.71 2rliA22 ASP 173 H 0.01 0.16 -0.05 -0.55 8.40 7.98 2rliA22 ASP 173 HA 0.01 0.16 0.59 -0.75 4.63 4.62 2rliA22 ASP 173 HB2 0.01 0.03 0.13 -0.04 2.71 2.84 2rliA22 ASP 173 HB3 0.01 0.02 0.09 -0.04 2.70 2.78 2rliA22 VAL 174 H 0.00 0.25 -0.09 -0.55 8.24 7.85 2rliA22 VAL 174 HA 0.01 -0.04 0.20 -0.75 4.13 3.54 2rliA22 VAL 174 HB 0.02 0.12 -0.01 -0.04 2.12 2.21 2rliA22 VAL 174 HG13 0.04 0.04 -0.04 -0.04 0.97 0.97 2rliA22 VAL 174 HG23 -0.00 0.01 -0.02 -0.04 0.95 0.90 2rliA22 GLU 175 H 0.03 0.24 -0.11 -0.55 8.60 8.21 2rliA22 GLU 175 HA 0.04 0.09 0.56 -0.75 4.29 4.23 2rliA22 GLU 175 HB2 0.02 -0.01 0.10 -0.04 2.09 2.17 2rliA22 GLU 175 HB3 0.02 0.06 0.06 -0.04 1.99 2.09 2rliA22 GLU 175 HG2 0.02 -0.01 0.08 -0.04 2.34 2.39 2rliA22 GLU 175 HG3 0.02 0.03 0.06 -0.04 2.34 2.40 2rliA22 ALA 176 H 0.05 0.55 -0.04 -0.55 8.40 8.41 2rliA22 ALA 176 HA 0.09 0.13 0.51 -0.75 4.34 4.31 2rliA22 ALA 176 HB3 0.07 -0.02 0.03 -0.04 1.41 1.45 2rliA22 MET 177 H 0.07 0.03 -0.23 -0.55 8.47 7.80 2rliA22 MET 177 HA 0.26 0.03 0.26 -0.75 4.52 4.32 2rliA22 MET 177 HB2 0.06 0.18 0.06 -0.04 2.15 2.41 2rliA22 MET 177 HB3 0.02 -0.02 -0.02 -0.04 2.03 1.97 2rliA22 MET 177 HG2 -0.03 -0.14 -0.04 -0.04 2.63 2.37 2rliA22 MET 177 HG3 -0.12 0.03 -0.13 -0.04 2.56 2.30 2rliA22 MET 177 HE3 -0.97 0.00 -0.08 -0.04 2.10 1.01 2rliA22 ALA 178 H 0.08 0.33 -0.40 -0.55 8.40 7.86 2rliA22 ALA 178 HA -0.11 0.00 0.33 -0.75 4.34 3.81 2rliA22 ALA 178 HB3 0.02 0.08 0.09 -0.04 1.41 1.55 2rliA22 ARG 179 H 0.14 0.48 -0.38 -0.55 8.46 8.15 2rliA22 ARG 179 HA -0.01 0.03 0.34 -0.75 4.34 3.94 2rliA22 ARG 179 HB2 0.10 0.17 0.16 -0.04 1.90 2.29 2rliA22 ARG 179 HB3 -0.12 -0.01 -0.00 -0.04 1.80 1.63 2rliA22 ARG 179 HG2 -0.03 -0.01 0.04 -0.04 1.67 1.62 2rliA22 ARG 179 HG3 -0.04 -0.02 0.03 -0.04 1.67 1.60 2rliA22 ARG 179 HD2 0.02 -0.05 0.02 -0.04 3.22 3.16 2rliA22 ARG 179 HD3 0.05 0.06 0.15 -0.04 3.22 3.43 2rliA22 TYR 180 H 0.42 0.25 -0.22 -0.55 8.29 8.19 2rliA22 TYR 180 HA -0.01 0.04 0.20 -0.75 4.56 4.03 2rliA22 TYR 180 HB2 0.14 0.19 0.03 -0.04 3.06 3.37 2rliA22 TYR 180 HB3 -0.11 -0.01 -0.02 -0.04 2.98 2.79 2rliA22 TYR 180 HD2 -0.17 0.05 -0.03 -0.04 7.15 6.96 2rliA22 TYR 180 HE2 -0.09 -0.02 -0.09 -0.04 6.85 6.61 2rliA22 VAL 181 H 0.06 0.23 -0.65 -0.55 8.24 7.33 2rliA22 VAL 181 HA -0.06 0.04 0.75 -0.75 4.13 4.10 2rliA22 VAL 181 HB -0.14 0.11 0.15 -0.04 2.12 2.20 2rliA22 VAL 181 HG13 -0.08 -0.05 -0.02 -0.04 0.97 0.77 2rliA22 VAL 181 HG23 -0.37 -0.02 -0.21 -0.04 0.95 0.30 2rliA22 GLN 182 H -0.04 0.46 0.08 -0.55 8.47 8.43 2rliA22 GLN 182 HA -0.02 0.01 0.04 -0.75 4.36 3.64 2rliA22 GLN 182 HB2 -0.02 -0.00 0.02 -0.04 2.15 2.10 2rliA22 GLN 182 HB3 -0.02 -0.02 0.04 -0.04 2.02 1.97 2rliA22 GLN 182 HG2 -0.02 0.03 -0.08 -0.04 2.40 2.29 2rliA22 GLN 182 HG3 -0.04 0.09 0.09 -0.04 2.39 2.48 2rliA22 GLN 182 HE21 -0.07 0.05 -0.15 -0.04 6.97 6.75 2rliA22 GLN 182 HE22 -0.05 -0.03 -0.08 -0.04 7.69 7.50 2rliA22 ASP 183 H -0.07 0.59 -0.19 -0.55 8.40 8.19 2rliA22 ASP 183 HA -0.16 0.07 0.50 -0.75 4.63 4.28 2rliA22 ASP 183 HB2 -0.25 0.04 -0.04 -0.04 2.71 2.41 2rliA22 ASP 183 HB3 -0.37 -0.04 0.06 -0.04 2.70 2.32 2rliA22 PHE 184 H 0.03 0.24 -0.46 -0.55 8.34 7.59 2rliA22 PHE 184 HA -0.01 0.12 0.78 -0.75 4.62 4.76 2rliA22 PHE 184 HB2 -0.18 0.09 0.14 -0.04 3.15 3.17 2rliA22 PHE 184 HB3 0.08 -0.02 0.00 -0.04 3.06 3.08 2rliA22 PHE 184 HD2 -0.06 0.08 -0.04 -0.04 7.28 7.22 2rliA22 PHE 184 HE2 -0.10 -0.04 -0.04 -0.04 7.38 7.16 2rliA22 PHE 184 HZ -0.09 -0.04 0.03 -0.04 7.32 7.18 2rliA22 HIS 185 H -0.04 0.48 0.22 -0.55 8.41 8.52 2rliA22 HIS 185 HA 0.04 0.14 0.55 -0.75 4.63 4.62 2rliA22 HIS 185 HB2 0.04 0.03 -0.01 -0.04 3.26 3.29 2rliA22 HIS 185 HB3 0.07 0.18 -0.28 -0.04 3.20 3.12 2rliA22 HIS 185 HD2 0.07 -0.00 -0.17 -0.04 6.97 6.82 2rliA22 HIS 185 HE1 0.01 0.19 -0.37 -0.04 7.75 7.54 2rliA22 PRO 186 HA 0.03 0.04 0.31 -0.51 4.44 4.32 2rliA22 PRO 186 HB2 0.06 0.03 0.20 -0.04 2.28 2.53 2rliA22 PRO 186 HB3 0.04 -0.00 0.08 -0.04 2.02 2.10 2rliA22 PRO 186 HG2 0.08 0.06 0.06 -0.04 2.03 2.19 2rliA22 PRO 186 HG3 0.05 0.03 0.07 -0.04 2.03 2.15 2rliA22 PRO 186 HD2 0.15 0.13 0.14 -0.04 3.68 4.06 2rliA22 PRO 186 HD3 0.08 0.15 0.14 -0.04 3.65 3.97 2rliA22 ARG 187 H 0.05 0.48 -0.08 -0.55 8.46 8.36 2rliA22 ARG 187 HA 0.12 0.09 0.42 -0.75 4.34 4.22 2rliA22 ARG 187 HB2 0.18 0.02 -0.34 -0.04 1.90 1.71 2rliA22 ARG 187 HB3 0.26 -0.01 -0.05 -0.04 1.80 1.97 2rliA22 ARG 187 HG2 0.10 0.00 0.13 -0.04 1.67 1.86 2rliA22 ARG 187 HG3 0.08 -0.01 0.04 -0.04 1.67 1.74 2rliA22 ARG 187 HD2 0.11 -0.00 0.10 -0.04 3.22 3.39 2rliA22 ARG 187 HD3 0.07 -0.00 0.03 -0.04 3.22 3.28 2rliA22 LEU 188 H -0.10 0.09 0.27 -0.55 8.37 8.09 2rliA22 LEU 188 HA 0.03 0.18 0.75 -0.75 4.35 4.56 2rliA22 LEU 188 HB2 -0.29 0.11 0.30 -0.04 1.64 1.73 2rliA22 LEU 188 HB3 -0.04 -0.07 -0.02 -0.04 1.64 1.47 2rliA22 LEU 188 HG -0.10 0.15 0.09 -0.04 1.64 1.74 2rliA22 LEU 188 HD13 0.05 0.00 0.02 -0.04 0.93 0.95 2rliA22 LEU 188 HD23 -0.18 0.01 0.05 -0.04 0.89 0.73 2rliA22 LEU 189 H 0.10 0.23 0.09 -0.55 8.37 8.24 2rliA22 LEU 189 HA 0.29 0.07 0.68 -0.75 4.35 4.65 2rliA22 LEU 189 HB2 0.15 0.20 0.04 -0.04 1.64 1.99 2rliA22 LEU 189 HB3 0.19 -0.11 -0.04 -0.04 1.64 1.64 2rliA22 LEU 189 HG 0.23 0.11 -0.13 -0.04 1.64 1.81 2rliA22 LEU 189 HD13 0.11 0.03 -0.28 -0.04 0.93 0.74 2rliA22 LEU 189 HD23 0.03 -0.02 -0.07 -0.04 0.89 0.79 2rliA22 GLY 190 H 0.53 0.16 0.16 -0.55 8.43 8.74 2rliA22 GLY 190 HA2 0.07 0.23 0.91 -0.51 4.01 4.71 2rliA22 GLY 190 HA3 0.10 -0.01 0.33 -0.51 4.01 3.92 2rliA22 LEU 191 H -0.17 0.84 0.35 -0.55 8.37 8.84 2rliA22 LEU 191 HA -0.05 0.25 0.96 -0.75 4.35 4.76 2rliA22 LEU 191 HB2 -0.12 0.04 -0.05 -0.04 1.64 1.48 2rliA22 LEU 191 HB3 -0.10 -0.03 -0.09 -0.04 1.64 1.37 2rliA22 LEU 191 HG 0.02 -0.00 -0.38 -0.04 1.64 1.24 2rliA22 LEU 191 HD13 0.10 0.02 -0.34 -0.04 0.93 0.67 2rliA22 LEU 191 HD23 0.11 -0.00 -0.21 -0.04 0.89 0.75 2rliA22 THR 192 H -0.08 0.66 0.37 -0.55 8.28 8.68 2rliA22 THR 192 HA -0.14 0.13 0.75 -0.75 4.39 4.38 2rliA22 THR 192 HB -0.13 0.04 -0.28 -0.04 4.32 3.91 2rliA22 THR 192 HG23 -0.05 0.02 -0.13 -0.04 1.22 1.02 2rliA22 GLY 193 H -0.06 0.22 0.22 -0.55 8.43 8.27 2rliA22 GLY 193 HA2 -0.03 0.06 0.42 -0.51 4.01 3.96 2rliA22 GLY 193 HA3 -0.03 0.11 0.46 -0.51 4.01 4.04 2rliA22 SER 194 H -0.00 0.18 0.17 -0.55 8.46 8.26 2rliA22 SER 194 HA -0.00 0.09 0.60 -0.75 4.49 4.42 2rliA22 SER 194 HB2 0.01 0.00 0.09 -0.04 3.95 4.02 2rliA22 SER 194 HB3 0.01 -0.01 0.14 -0.04 3.93 4.03 2rliA22 THR 195 H 0.01 0.18 0.20 -0.55 8.28 8.11 2rliA22 THR 195 HA 0.01 0.09 0.34 -0.75 4.39 4.08 2rliA22 THR 195 HB 0.01 0.11 0.02 -0.04 4.32 4.42 2rliA22 THR 195 HG23 0.01 0.03 0.04 -0.04 1.22 1.25 2rliA22 LYS 196 H 0.02 0.12 -0.03 -0.55 8.42 7.97 2rliA22 LYS 196 HA 0.02 0.11 0.33 -0.75 4.32 4.02 2rliA22 LYS 196 HB2 0.02 -0.05 0.08 -0.04 1.87 1.88 2rliA22 LYS 196 HB3 0.03 0.07 -0.02 -0.04 1.79 1.83 2rliA22 LYS 196 HG2 0.02 0.05 0.05 -0.04 1.46 1.54 2rliA22 LYS 196 HG3 0.02 -0.03 0.04 -0.04 1.46 1.44 2rliA22 LYS 196 HD2 0.02 -0.02 0.01 -0.04 1.69 1.66 2rliA22 LYS 196 HD3 0.02 0.03 0.00 -0.04 1.68 1.69 2rliA22 LYS 196 HE2 0.01 -0.01 0.01 -0.04 2.99 2.96 2rliA22 LYS 196 HE3 0.01 0.02 0.00 -0.04 2.99 2.99 2rliA22 GLN 197 H 0.02 0.17 -0.45 -0.55 8.47 7.67 2rliA22 GLN 197 HA 0.04 0.10 0.68 -0.75 4.36 4.43 2rliA22 GLN 197 HB2 0.02 0.02 0.13 -0.04 2.15 2.28 2rliA22 GLN 197 HB3 0.03 -0.01 -0.05 -0.04 2.02 1.95 2rliA22 GLN 197 HG2 0.06 0.03 0.01 -0.04 2.40 2.47 2rliA22 GLN 197 HG3 0.04 -0.04 0.02 -0.04 2.39 2.38 2rliA22 GLN 197 HE21 0.05 -0.10 0.06 -0.04 6.97 6.94 2rliA22 GLN 197 HE22 0.07 0.58 0.11 -0.04 7.69 8.41 2rliA22 VAL 198 H 0.01 0.52 -0.01 -0.55 8.24 8.22 2rliA22 VAL 198 HA 0.01 0.01 0.17 -0.75 4.13 3.56 2rliA22 VAL 198 HB -0.00 0.04 -0.01 -0.04 2.12 2.11 2rliA22 VAL 198 HG13 -0.03 0.01 -0.13 -0.04 0.97 0.78 2rliA22 VAL 198 HG23 0.01 0.01 -0.10 -0.04 0.95 0.83 2rliA22 ALA 199 H 0.03 0.57 -0.16 -0.55 8.40 8.29 2rliA22 ALA 199 HA 0.04 0.06 0.43 -0.75 4.34 4.12 2rliA22 ALA 199 HB3 0.02 0.00 0.01 -0.04 1.41 1.40 2rliA22 GLN 200 H 0.05 0.35 -0.18 -0.55 8.47 8.14 2rliA22 GLN 200 HA 0.11 0.07 0.51 -0.75 4.36 4.29 2rliA22 GLN 200 HB2 0.05 -0.02 0.11 -0.04 2.15 2.25 2rliA22 GLN 200 HB3 0.06 0.02 0.15 -0.04 2.02 2.21 2rliA22 GLN 200 HG2 0.05 0.15 0.29 -0.04 2.40 2.85 2rliA22 GLN 200 HG3 0.05 -0.04 -0.03 -0.04 2.39 2.33 2rliA22 GLN 200 HE21 0.04 0.52 0.11 -0.04 6.97 7.60 2rliA22 GLN 200 HE22 0.03 -0.09 -0.02 -0.04 7.69 7.58 2rliA22 ALA 201 H 0.05 0.52 -0.03 -0.55 8.40 8.41 2rliA22 ALA 201 HA 0.07 0.04 0.56 -0.75 4.34 4.26 2rliA22 ALA 201 HB3 0.02 -0.00 0.04 -0.04 1.41 1.43 2rliA22 SER 202 H 0.07 0.54 -0.13 -0.55 8.46 8.39 2rliA22 SER 202 HA 0.10 0.05 0.43 -0.75 4.49 4.32 2rliA22 SER 202 HB2 0.11 -0.05 0.09 -0.04 3.95 4.05 2rliA22 SER 202 HB3 0.08 0.03 0.08 -0.04 3.93 4.08 2rliA22 HIS 203 H 0.13 0.42 -0.19 -0.55 8.41 8.22 2rliA22 HIS 203 HA -0.08 0.07 0.66 -0.75 4.63 4.52 2rliA22 HIS 203 HB2 -0.03 0.02 0.11 -0.04 3.26 3.33 2rliA22 HIS 203 HB3 -0.01 0.02 0.14 -0.04 3.20 3.31 2rliA22 HIS 203 HD2 -0.07 0.05 0.09 -0.04 6.97 7.00 2rliA22 HIS 203 HE1 -0.02 -0.04 -0.02 -0.04 7.75 7.62 2rliA22 SER 204 H 0.06 0.32 -0.19 -0.55 8.46 8.11 2rliA22 SER 204 HA -0.07 0.02 0.55 -0.75 4.49 4.24 2rliA22 SER 204 HB2 0.07 0.08 0.22 -0.04 3.95 4.27 2rliA22 SER 204 HB3 0.03 -0.09 0.07 -0.04 3.93 3.89 2rliA22 TYR 205 H 0.13 0.53 0.04 -0.55 8.29 8.43 2rliA22 TYR 205 HA -0.10 0.04 0.50 -0.75 4.56 4.24 2rliA22 TYR 205 HB2 -0.01 -0.02 0.04 -0.04 3.06 3.03 2rliA22 TYR 205 HB3 -0.03 -0.01 0.07 -0.04 2.98 2.96 2rliA22 TYR 205 HD2 -0.04 -0.00 -0.09 -0.04 7.15 6.97 2rliA22 TYR 205 HE2 0.12 0.10 -0.02 -0.04 6.85 7.01 2rliA22 ARG 206 H -0.64 0.14 0.12 -0.55 8.46 7.52 2rliA22 ARG 206 HA -0.26 0.18 0.07 -0.75 4.34 3.58 2rliA22 ARG 206 HB2 -0.44 -0.04 0.17 -0.04 1.90 1.55 2rliA22 ARG 206 HB3 -0.13 -0.02 0.14 -0.04 1.80 1.75 2rliA22 ARG 206 HG2 -0.36 0.04 0.12 -0.04 1.67 1.43 2rliA22 ARG 206 HG3 -0.28 -0.04 0.05 -0.04 1.67 1.36 2rliA22 ARG 206 HD2 -0.17 0.11 -0.25 -0.04 3.22 2.87 2rliA22 ARG 206 HD3 -0.14 0.00 -0.01 -0.04 3.22 3.03 2rliA22 VAL 207 H -0.22 0.77 0.36 -0.55 8.24 8.60 2rliA22 VAL 207 HA 0.03 0.08 0.79 -0.75 4.13 4.27 2rliA22 VAL 207 HB -0.13 -0.02 -0.01 -0.04 2.12 1.92 2rliA22 VAL 207 HG13 -0.19 0.04 -0.04 -0.04 0.97 0.74 2rliA22 VAL 207 HG23 -0.47 -0.01 0.01 -0.04 0.95 0.44 2rliA22 TYR 208 H 0.13 0.15 0.15 -0.55 8.29 8.16 2rliA22 TYR 208 HA -0.18 0.18 0.85 -0.75 4.56 4.65 2rliA22 TYR 208 HB2 -0.09 -0.04 0.05 -0.04 3.06 2.94 2rliA22 TYR 208 HB3 -0.09 -0.01 -0.05 -0.04 2.98 2.79 2rliA22 TYR 208 HD2 -0.12 -0.02 -0.21 -0.04 7.15 6.75 2rliA22 TYR 208 HE2 -0.10 0.00 -0.08 -0.04 6.85 6.63 2rliA22 TYR 209 H -0.32 0.35 0.19 -0.55 8.29 7.97 2rliA22 TYR 209 HA 0.00 0.13 0.59 -0.75 4.56 4.53 2rliA22 TYR 209 HB2 -0.03 -0.03 -0.01 -0.04 3.06 2.95 2rliA22 TYR 209 HB3 -0.04 0.04 -0.07 -0.04 2.98 2.88 2rliA22 TYR 209 HD2 -0.11 -0.03 -0.33 -0.04 7.15 6.63 2rliA22 TYR 209 HE2 -0.12 0.04 -0.09 -0.04 6.85 6.64 2rliA22 ASN 210 H 0.10 0.26 0.10 -0.55 8.53 8.45 2rliA22 ASN 210 HA -0.02 0.15 0.63 -0.75 4.76 4.77 2rliA22 ASN 210 HB2 -0.03 0.09 -0.26 -0.04 2.88 2.64 2rliA22 ASN 210 HB3 -0.00 -0.04 -0.03 -0.04 2.79 2.67 2rliA22 ASN 210 HD21 -0.02 -0.02 -0.04 -0.04 7.03 6.91 2rliA22 ASN 210 HD22 -0.02 0.02 -0.00 -0.04 7.74 7.70 2rliA22 ALA 211 H -0.00 0.25 0.17 -0.55 8.40 8.27 2rliA22 ALA 211 HA 0.01 0.07 0.98 -0.75 4.34 4.65 2rliA22 ALA 211 HB3 0.02 0.03 0.01 -0.04 1.41 1.43 2rliA22 GLY 212 H 0.01 0.68 0.20 -0.55 8.43 8.76 2rliA22 GLY 212 HA2 -0.01 0.07 0.26 -0.51 4.01 3.81 2rliA22 GLY 212 HA3 -0.01 -0.09 0.23 -0.51 4.01 3.63 2rliA22 PRO 213 HA -0.04 0.16 0.38 -0.51 4.44 4.43 2rliA22 PRO 213 HB2 -0.03 0.01 0.12 -0.04 2.28 2.35 2rliA22 PRO 213 HB3 -0.03 0.05 0.09 -0.04 2.02 2.09 2rliA22 PRO 213 HG2 -0.02 0.01 0.11 -0.04 2.03 2.08 2rliA22 PRO 213 HG3 -0.02 0.03 0.08 -0.04 2.03 2.08 2rliA22 PRO 213 HD2 -0.02 0.03 0.11 -0.04 3.68 3.76 2rliA22 PRO 213 HD3 -0.02 0.19 0.18 -0.04 3.65 3.96 2rliA22 LYS 214 H -0.09 0.49 0.17 -0.55 8.42 8.44 2rliA22 LYS 214 HA -0.06 0.11 0.76 -0.75 4.32 4.38 2rliA22 LYS 214 HB2 -0.10 -0.14 0.05 -0.04 1.87 1.64 2rliA22 LYS 214 HB3 -0.17 0.09 0.00 -0.04 1.79 1.67 2rliA22 LYS 214 HG2 -0.13 0.07 -0.48 -0.04 1.46 0.88 2rliA22 LYS 214 HG3 -0.27 -0.27 0.13 -0.04 1.46 1.01 2rliA22 LYS 214 HD2 -0.34 0.07 0.09 -0.04 1.69 1.47 2rliA22 LYS 214 HD3 -0.18 -0.01 -0.08 -0.04 1.68 1.37 2rliA22 LYS 214 HE2 -1.08 0.03 0.11 -0.04 2.99 2.02 2rliA22 LYS 214 HE3 -0.49 -0.03 0.06 -0.04 2.99 2.49 2rliA22 ASP 215 H -0.05 0.21 -0.03 -0.55 8.40 7.98 2rliA22 ASP 215 HA -0.04 0.12 0.69 -0.75 4.63 4.65 2rliA22 ASP 215 HB2 -0.03 0.07 -0.18 -0.04 2.71 2.54 2rliA22 ASP 215 HB3 -0.02 -0.00 0.04 -0.04 2.70 2.67 2rliA22 GLU 216 H -0.02 0.19 0.11 -0.55 8.60 8.33 2rliA22 GLU 216 HA -0.01 0.05 0.33 -0.75 4.29 3.91 2rliA22 GLU 216 HB2 -0.01 0.12 0.43 -0.04 2.09 2.60 2rliA22 GLU 216 HB3 0.00 0.02 0.19 -0.04 1.99 2.16 2rliA22 GLU 216 HG2 -0.00 0.00 0.06 -0.04 2.34 2.36 2rliA22 GLU 216 HG3 -0.01 -0.07 -0.18 -0.04 2.34 2.05 2rliA22 ASP 217 H -0.00 0.22 -0.06 -0.55 8.40 8.01 2rliA22 ASP 217 HA -0.05 0.10 0.71 -0.75 4.63 4.63 2rliA22 ASP 217 HB2 0.04 0.04 -0.37 -0.04 2.71 2.37 2rliA22 ASP 217 HB3 0.05 0.00 0.07 -0.04 2.70 2.79 2rliA22 GLN 218 H -0.06 0.08 0.10 -0.55 8.47 8.04 2rliA22 GLN 218 HA 0.04 0.17 0.74 -0.75 4.36 4.56 2rliA22 GLN 218 HB2 0.01 0.02 0.11 -0.04 2.15 2.25 2rliA22 GLN 218 HB3 0.01 0.05 -0.21 -0.04 2.02 1.82 2rliA22 GLN 218 HG2 -0.03 -0.10 -0.09 -0.04 2.40 2.14 2rliA22 GLN 218 HG3 -0.02 0.03 -0.14 -0.04 2.39 2.22 2rliA22 GLN 218 HE21 -0.01 0.01 -0.02 -0.04 6.97 6.90 2rliA22 GLN 218 HE22 -0.01 0.02 0.01 -0.04 7.69 7.66 2rliA22 ASP 219 H -0.09 0.17 0.22 -0.55 8.40 8.15 2rliA22 ASP 219 HA 0.10 0.10 0.27 -0.75 4.63 4.35 2rliA22 ASP 219 HB2 0.01 0.23 0.05 -0.04 2.71 2.96 2rliA22 ASP 219 HB3 -0.02 0.01 -0.09 -0.04 2.70 2.56 2rliA22 TYR 220 H 0.10 0.03 0.16 -0.55 8.29 8.03 2rliA22 TYR 220 HA 0.03 0.19 0.68 -0.75 4.56 4.71 2rliA22 TYR 220 HB2 -0.01 -0.03 -0.11 -0.04 3.06 2.86 2rliA22 TYR 220 HB3 0.01 0.02 0.10 -0.04 2.98 3.07 2rliA22 TYR 220 HD2 0.02 -0.06 -0.14 -0.04 7.15 6.93 2rliA22 TYR 220 HE2 0.02 -0.01 -0.04 -0.04 6.85 6.78 2rliA22 ILE 221 H 0.07 -0.03 0.15 -0.55 8.25 7.88 2rliA22 ILE 221 HA 0.17 0.13 0.56 -0.75 4.18 4.29 2rliA22 ILE 221 HB 0.09 0.01 0.09 -0.04 1.89 2.05 2rliA22 ILE 221 HG12 0.04 -0.05 0.04 -0.04 1.49 1.48 2rliA22 ILE 221 HG13 0.03 -0.03 -0.22 -0.04 1.21 0.95 2rliA22 ILE 221 HG23 0.08 0.01 0.05 -0.04 0.93 1.03 2rliA22 ILE 221 HD13 0.04 0.03 -0.06 -0.04 0.88 0.85 2rliA22 VAL 222 H 0.03 0.19 0.18 -0.55 8.24 8.10 2rliA22 VAL 222 HA -0.03 0.15 0.97 -0.75 4.13 4.47 2rliA22 VAL 222 HB -0.95 -0.08 0.11 -0.04 2.12 1.16 2rliA22 VAL 222 HG13 -0.16 0.01 -0.18 -0.04 0.97 0.59 2rliA22 VAL 222 HG23 0.00 0.03 -0.16 -0.04 0.95 0.79 2rliA22 ASP 223 H 0.00 0.62 0.17 -0.55 8.40 8.64 2rliA22 ASP 223 HA -0.00 0.10 0.56 -0.75 4.63 4.54 2rliA22 ASP 223 HB2 0.01 0.04 0.07 -0.04 2.71 2.78 2rliA22 ASP 223 HB3 0.00 0.00 0.13 -0.04 2.70 2.79 2rliA22 HIS 224 H 0.13 0.49 -0.18 -0.55 8.41 8.30 2rliA22 HIS 224 HA 0.02 0.11 0.75 -0.75 4.63 4.75 2rliA22 HIS 224 HB2 0.01 0.06 0.11 -0.04 3.26 3.40 2rliA22 HIS 224 HB3 -0.19 -0.02 0.02 -0.04 3.20 2.97 2rliA22 HIS 224 HD2 0.18 0.06 0.10 -0.04 6.97 7.26 2rliA22 HIS 224 HE1 0.24 -0.06 0.11 -0.04 7.75 8.00 2rliA22 SER 225 H 0.03 0.44 0.01 -0.55 8.46 8.39 2rliA22 SER 225 HA -0.07 0.03 0.23 -0.75 4.49 3.93 2rliA22 SER 225 HB2 -0.01 0.02 0.06 -0.04 3.95 3.98 2rliA22 SER 225 HB3 -0.01 0.05 0.01 -0.04 3.93 3.94 2rliA22 ILE 226 H 0.07 0.01 -0.26 -0.55 8.25 7.52 2rliA22 ILE 226 HA 0.18 -0.08 0.30 -0.75 4.18 3.83 2rliA22 ILE 226 HB 0.09 0.20 0.42 -0.04 1.89 2.56 2rliA22 ILE 226 HG12 0.21 -0.05 -0.07 -0.04 1.49 1.55 2rliA22 ILE 226 HG13 -0.01 0.19 -0.42 -0.04 1.21 0.93 2rliA22 ILE 226 HG23 0.21 -0.03 -0.05 -0.04 0.93 1.02 2rliA22 ILE 226 HD13 0.11 -0.04 -0.01 -0.04 0.88 0.90 2rliA22 ALA 227 H 0.21 0.11 0.02 -0.55 8.40 8.19 2rliA22 ALA 227 HA 0.18 0.33 0.64 -0.75 4.34 4.73 2rliA22 ALA 227 HB3 -0.13 0.01 0.11 -0.04 1.41 1.35 2rliA22 ILE 228 H 0.24 0.60 -0.03 -0.55 8.25 8.51 2rliA22 ILE 228 HA 0.34 0.36 0.88 -0.75 4.18 5.01 2rliA22 ILE 228 HB 0.28 -0.04 0.05 -0.04 1.89 2.13 2rliA22 ILE 228 HG12 0.11 -0.03 -0.22 -0.04 1.49 1.32 2rliA22 ILE 228 HG13 0.16 0.10 -0.42 -0.04 1.21 1.01 2rliA22 ILE 228 HG23 0.20 -0.01 -0.15 -0.04 0.93 0.93 2rliA22 ILE 228 HD13 0.10 -0.02 -0.14 -0.04 0.88 0.77 2rliA22 TYR 229 H 0.52 0.35 0.22 -0.55 8.29 8.83 2rliA22 TYR 229 HA 0.30 0.16 0.59 -0.75 4.56 4.85 2rliA22 TYR 229 HB2 0.46 -0.01 0.04 -0.04 3.06 3.51 2rliA22 TYR 229 HB3 0.37 0.06 -0.33 -0.04 2.98 3.05 2rliA22 TYR 229 HD2 0.32 0.08 -0.16 -0.04 7.15 7.35 2rliA22 TYR 229 HE2 0.11 0.15 -0.13 -0.04 6.85 6.93 2rliA22 LEU 230 H 0.29 0.58 0.34 -0.55 8.37 9.04 2rliA22 LEU 230 HA 0.01 0.21 0.93 -0.75 4.35 4.74 2rliA22 LEU 230 HB2 -0.07 -0.06 0.23 -0.04 1.64 1.71 2rliA22 LEU 230 HB3 -0.26 0.02 -0.02 -0.04 1.64 1.33 2rliA22 LEU 230 HG -1.38 -0.01 -0.01 -0.04 1.64 0.20 2rliA22 LEU 230 HD13 -0.98 0.02 -0.02 -0.04 0.93 -0.08 2rliA22 LEU 230 HD23 -0.22 -0.01 -0.07 -0.04 0.89 0.55 2rliA22 LEU 231 H 0.27 0.78 0.23 -0.55 8.37 9.10 2rliA22 LEU 231 HA 0.29 0.07 0.67 -0.75 4.35 4.62 2rliA22 LEU 231 HB2 0.20 -0.03 -0.27 -0.04 1.64 1.49 2rliA22 LEU 231 HB3 0.07 -0.03 -0.09 -0.04 1.64 1.55 2rliA22 LEU 231 HG 0.12 0.14 -0.34 -0.04 1.64 1.53 2rliA22 LEU 231 HD13 -0.22 -0.02 -0.17 -0.04 0.93 0.47 2rliA22 LEU 231 HD23 -0.00 0.00 -0.23 -0.04 0.89 0.62 2rliA22 ASN 232 H 0.11 0.41 0.06 -0.55 8.53 8.56 2rliA22 ASN 232 HA -0.74 0.09 0.10 -0.75 4.76 3.47 2rliA22 ASN 232 HB2 -0.10 0.00 -0.17 -0.04 2.88 2.57 2rliA22 ASN 232 HB3 -0.33 0.04 -0.06 -0.04 2.79 2.39 2rliA22 ASN 232 HD21 0.04 0.31 0.11 -0.04 7.03 7.45 2rliA22 ASN 232 HD22 0.02 0.30 -0.04 -0.04 7.74 7.98 2rliA22 PRO 233 HA -0.06 0.23 0.51 -0.51 4.44 4.61 2rliA22 PRO 233 HB2 -0.11 -0.08 0.34 -0.04 2.28 2.39 2rliA22 PRO 233 HB3 -0.21 -0.10 0.32 -0.04 2.02 1.99 2rliA22 PRO 233 HG2 -0.36 0.07 0.03 -0.04 2.03 1.73 2rliA22 PRO 233 HG3 -0.68 0.15 0.10 -0.04 2.03 1.55 2rliA22 PRO 233 HD2 -1.24 0.11 0.16 -0.04 3.68 2.68 2rliA22 PRO 233 HD3 -1.83 0.14 0.19 -0.04 3.65 2.10 2rliA22 ASP 234 H -0.11 0.12 -1.02 -0.55 8.40 6.84 2rliA22 ASP 234 HA -0.04 0.07 0.03 -0.75 4.63 3.94 2rliA22 ASP 234 HB2 -0.06 0.10 0.00 -0.04 2.71 2.71 2rliA22 ASP 234 HB3 -0.05 -0.02 0.01 -0.04 2.70 2.61 2rliA22 GLY 235 H 0.00 0.43 -0.01 -0.55 8.43 8.31 2rliA22 GLY 235 HA2 0.11 0.01 0.20 -0.51 4.01 3.82 2rliA22 GLY 235 HA3 0.06 0.13 0.40 -0.51 4.01 4.09 2rliA22 LEU 236 H 0.11 0.13 0.16 -0.55 8.37 8.23 2rliA22 LEU 236 HA 0.21 0.03 0.38 -0.75 4.35 4.22 2rliA22 LEU 236 HB2 0.03 0.09 -0.33 -0.04 1.64 1.39 2rliA22 LEU 236 HB3 0.01 0.02 0.11 -0.04 1.64 1.74 2rliA22 LEU 236 HG 0.09 -0.00 0.09 -0.04 1.64 1.78 2rliA22 LEU 236 HD13 0.07 0.01 0.07 -0.04 0.93 1.03 2rliA22 LEU 236 HD23 -0.11 0.02 0.04 -0.04 0.89 0.80 2rliA22 PHE 237 H 0.00 0.32 0.31 -0.55 8.34 8.42 2rliA22 PHE 237 HA 0.19 0.06 0.36 -0.75 4.62 4.48 2rliA22 PHE 237 HB2 -0.14 -0.03 0.11 -0.04 3.15 3.05 2rliA22 PHE 237 HB3 0.03 0.11 0.07 -0.04 3.06 3.23 2rliA22 PHE 237 HD2 0.09 0.06 -0.16 -0.04 7.28 7.24 2rliA22 PHE 237 HE2 0.07 -0.00 -0.01 -0.04 7.38 7.39 2rliA22 PHE 237 HZ 0.05 -0.02 -0.01 -0.04 7.32 7.30 2rliA22 THR 238 H 0.50 0.16 0.05 -0.55 8.28 8.44 2rliA22 THR 238 HA 0.10 0.10 0.43 -0.75 4.39 4.26 2rliA22 THR 238 HB 0.37 -0.01 0.18 -0.04 4.32 4.82 2rliA22 THR 238 HG23 0.27 0.00 -0.07 -0.04 1.22 1.38 2rliA22 ASP 239 H 0.42 0.18 0.25 -0.55 8.40 8.70 2rliA22 ASP 239 HA 0.38 0.20 0.84 -0.75 4.63 5.30 2rliA22 ASP 239 HB2 0.20 -0.00 -0.01 -0.04 2.71 2.86 2rliA22 ASP 239 HB3 0.18 0.02 -0.02 -0.04 2.70 2.84 2rliA22 TYR 240 H -0.16 0.20 0.17 -0.55 8.29 7.95 2rliA22 TYR 240 HA -0.17 0.19 0.76 -0.75 4.56 4.59 2rliA22 TYR 240 HB2 -0.38 -0.03 -0.23 -0.04 3.06 2.38 2rliA22 TYR 240 HB3 -1.75 0.01 -0.21 -0.04 2.98 0.99 2rliA22 TYR 240 HD2 -0.19 0.08 -0.06 -0.04 7.15 6.95 2rliA22 TYR 240 HE2 -0.05 0.02 -0.02 -0.04 6.85 6.76 2rliA22 TYR 241 H 0.23 0.66 0.20 -0.55 8.29 8.84 2rliA22 TYR 241 HA -0.09 0.15 0.77 -0.75 4.56 4.64 2rliA22 TYR 241 HB2 0.00 0.11 0.12 -0.04 3.06 3.26 2rliA22 TYR 241 HB3 0.00 -0.07 0.12 -0.04 2.98 2.99 2rliA22 TYR 241 HD2 -0.04 -0.05 -0.26 -0.04 7.15 6.76 2rliA22 TYR 241 HE2 -0.04 -0.06 -0.13 -0.04 6.85 6.58 2rliA22 GLY 242 H 0.06 0.21 0.09 -0.55 8.43 8.24 2rliA22 GLY 242 HA2 0.09 -0.04 0.37 -0.51 4.01 3.92 2rliA22 GLY 242 HA3 0.13 0.26 0.68 -0.51 4.01 4.57 2rliA22 ARG 243 H -0.12 0.01 -0.16 -0.55 8.46 7.63 2rliA22 ARG 243 HA -0.05 0.10 0.64 -0.75 4.34 4.28 2rliA22 ARG 243 HB2 -0.34 0.00 0.04 -0.04 1.90 1.56 2rliA22 ARG 243 HB3 -0.16 -0.03 0.14 -0.04 1.80 1.72 2rliA22 ARG 243 HG2 -0.05 0.02 0.04 -0.04 1.67 1.64 2rliA22 ARG 243 HG3 -0.27 0.03 0.00 -0.04 1.67 1.40 2rliA22 ARG 243 HD2 -0.35 0.02 0.05 -0.04 3.22 2.89 2rliA22 ARG 243 HD3 -0.16 -0.02 0.05 -0.04 3.22 3.04 2rliA22 SER 244 H -0.07 0.08 0.14 -0.55 8.46 8.06 2rliA22 SER 244 HA -0.03 0.08 0.53 -0.75 4.49 4.32 2rliA22 SER 244 HB2 -0.03 0.02 0.16 -0.04 3.95 4.06 2rliA22 SER 244 HB3 -0.05 -0.01 0.08 -0.04 3.93 3.92 2rliA22 ARG 245 H -0.01 0.28 0.25 -0.55 8.46 8.42 2rliA22 ARG 245 HA 0.01 0.02 0.61 -0.75 4.34 4.22 2rliA22 ARG 245 HB2 0.21 -0.05 -0.02 -0.04 1.90 2.00 2rliA22 ARG 245 HB3 -0.11 0.17 -0.34 -0.04 1.80 1.48 2rliA22 ARG 245 HG2 0.11 -0.06 -0.12 -0.04 1.67 1.57 2rliA22 ARG 245 HG3 0.03 0.01 -0.04 -0.04 1.67 1.63 2rliA22 ARG 245 HD2 0.09 -0.04 -0.63 -0.04 3.22 2.60 2rliA22 ARG 245 HD3 0.22 -0.00 -0.18 -0.04 3.22 3.22 2rliA22 SER 246 H 0.06 0.12 0.19 -0.55 8.46 8.28 2rliA22 SER 246 HA 0.03 0.23 0.48 -0.75 4.49 4.48 2rliA22 SER 246 HB2 0.02 0.17 -0.02 -0.04 3.95 4.08 2rliA22 SER 246 HB3 0.02 -0.03 0.06 -0.04 3.93 3.95 2rliA22 ALA 247 H 0.01 0.24 0.17 -0.55 8.40 8.27 2rliA22 ALA 247 HA -0.01 0.12 0.30 -0.75 4.34 4.00 2rliA22 ALA 247 HB3 -0.00 0.05 0.14 -0.04 1.41 1.56 2rliA22 GLU 248 H 0.01 0.11 -0.10 -0.55 8.60 8.07 2rliA22 GLU 248 HA -0.00 0.12 0.38 -0.75 4.29 4.03 2rliA22 GLU 248 HB2 0.00 0.03 0.10 -0.04 2.09 2.18 2rliA22 GLU 248 HB3 0.01 0.00 0.03 -0.04 1.99 2.00 2rliA22 GLU 248 HG2 0.01 -0.00 -0.02 -0.04 2.34 2.28 2rliA22 GLU 248 HG3 0.00 0.04 0.06 -0.04 2.34 2.40 2rliA22 GLN 249 H 0.04 0.17 -0.27 -0.55 8.47 7.86 2rliA22 GLN 249 HA 0.06 0.10 0.59 -0.75 4.36 4.35 2rliA22 GLN 249 HB2 0.17 0.02 0.18 -0.04 2.15 2.48 2rliA22 GLN 249 HB3 0.25 0.08 0.09 -0.04 2.02 2.40 2rliA22 GLN 249 HG2 0.04 0.09 0.08 -0.04 2.40 2.58 2rliA22 GLN 249 HG3 0.05 0.07 0.03 -0.04 2.39 2.49 2rliA22 GLN 249 HE21 0.02 0.10 -0.05 -0.04 6.97 6.99 2rliA22 GLN 249 HE22 0.01 -0.00 -0.04 -0.04 7.69 7.62 2rliA22 ILE 250 H -0.00 0.29 -0.19 -0.55 8.25 7.80 2rliA22 ILE 250 HA -0.36 0.05 0.53 -0.75 4.18 3.65 2rliA22 ILE 250 HB -0.08 0.14 0.13 -0.04 1.89 2.04 2rliA22 ILE 250 HG12 -0.02 0.06 -0.01 -0.04 1.49 1.47 2rliA22 ILE 250 HG13 -0.06 0.01 -0.08 -0.04 1.21 1.03 2rliA22 ILE 250 HG23 -0.19 0.00 -0.06 -0.04 0.93 0.64 2rliA22 ILE 250 HD13 -0.10 -0.02 -0.09 -0.04 0.88 0.64 2rliA22 SER 251 H -0.04 0.38 -0.07 -0.55 8.46 8.18 2rliA22 SER 251 HA -0.05 0.07 0.36 -0.75 4.49 4.12 2rliA22 SER 251 HB2 -0.01 0.08 0.17 -0.04 3.95 4.15 2rliA22 SER 251 HB3 -0.01 0.02 0.02 -0.04 3.93 3.92 2rliA22 ASP 252 H -0.01 0.55 -0.06 -0.55 8.40 8.33 2rliA22 ASP 252 HA -0.00 0.06 0.49 -0.75 4.63 4.43 2rliA22 ASP 252 HB2 0.01 0.05 0.13 -0.04 2.71 2.87 2rliA22 ASP 252 HB3 0.02 0.02 0.06 -0.04 2.70 2.76 2rliA22 SER 253 H -0.04 0.45 -0.26 -0.55 8.46 8.08 2rliA22 SER 253 HA -0.03 -0.00 0.50 -0.75 4.49 4.20 2rliA22 SER 253 HB2 -0.11 0.07 0.15 -0.04 3.95 4.02 2rliA22 SER 253 HB3 -0.30 0.09 0.23 -0.04 3.93 3.91 2rliA22 VAL 254 H -0.09 0.76 -0.00 -0.55 8.24 8.36 2rliA22 VAL 254 HA -0.04 -0.01 0.34 -0.75 4.13 3.66 2rliA22 VAL 254 HB -0.07 0.05 0.11 -0.04 2.12 2.17 2rliA22 VAL 254 HG13 -0.06 0.01 -0.10 -0.04 0.97 0.78 2rliA22 VAL 254 HG23 -0.20 0.00 -0.02 -0.04 0.95 0.68 2rliA22 ARG 255 H -0.01 0.56 -0.17 -0.55 8.46 8.30 2rliA22 ARG 255 HA 0.05 0.05 0.46 -0.75 4.34 4.14 2rliA22 ARG 255 HB2 0.01 0.05 0.18 -0.04 1.90 2.09 2rliA22 ARG 255 HB3 0.02 -0.04 0.02 -0.04 1.80 1.76 2rliA22 ARG 255 HG2 0.02 -0.02 0.01 -0.04 1.67 1.65 2rliA22 ARG 255 HG3 0.01 0.04 0.04 -0.04 1.67 1.72 2rliA22 ARG 255 HD2 0.00 -0.03 -0.15 -0.04 3.22 3.00 2rliA22 ARG 255 HD3 0.01 -0.03 -0.03 -0.04 3.22 3.13 2rliA22 ARG 256 H -0.00 0.51 -0.23 -0.55 8.46 8.18 2rliA22 ARG 256 HA -0.00 0.01 0.50 -0.75 4.34 4.09 2rliA22 ARG 256 HB2 -0.10 0.13 0.28 -0.04 1.90 2.17 2rliA22 ARG 256 HB3 -0.11 -0.07 0.05 -0.04 1.80 1.62 2rliA22 ARG 256 HG2 -0.02 -0.06 0.04 -0.04 1.67 1.58 2rliA22 ARG 256 HG3 -0.01 0.04 0.07 -0.04 1.67 1.72 2rliA22 ARG 256 HD2 -0.01 0.04 -0.21 -0.04 3.22 3.00 2rliA22 ARG 256 HD3 -0.04 -0.05 -0.01 -0.04 3.22 3.08 2rliA22 HIS 257 H -0.00 0.69 0.03 -0.55 8.41 8.58 2rliA22 HIS 257 HA 0.14 -0.03 0.40 -0.75 4.63 4.38 2rliA22 HIS 257 HB2 -0.11 0.12 0.15 -0.04 3.26 3.38 2rliA22 HIS 257 HB3 0.06 -0.03 0.02 -0.04 3.20 3.21 2rliA22 HIS 257 HD2 -0.17 0.04 -0.21 -0.04 6.97 6.57 2rliA22 HIS 257 HE1 0.13 -0.11 0.05 -0.04 7.75 7.78 2rliA22 MET 258 H 0.18 0.56 -0.29 -0.55 8.47 8.36 2rliA22 MET 258 HA 0.40 -0.02 0.37 -0.75 4.52 4.52 2rliA22 MET 258 HB2 0.18 0.07 0.09 -0.04 2.15 2.45 2rliA22 MET 258 HB3 0.12 0.13 0.14 -0.04 2.03 2.38 2rliA22 MET 258 HG2 0.10 -0.02 -0.09 -0.04 2.63 2.58 2rliA22 MET 258 HG3 0.19 -0.01 0.03 -0.04 2.56 2.72 2rliA22 MET 258 HE3 0.06 -0.02 -0.06 -0.04 2.10 2.04 2rliA22 ALA 259 H 0.11 0.43 -0.33 -0.55 8.40 8.07 2rliA22 ALA 259 HA 0.07 0.04 0.44 -0.75 4.34 4.14 2rliA22 ALA 259 HB3 0.05 0.02 0.13 -0.04 1.41 1.56 2rliA22 ALA 260 H 0.18 0.34 -0.27 -0.55 8.40 8.10 2rliA22 ALA 260 HA 0.10 0.14 0.76 -0.75 4.34 4.59 2rliA22 ALA 260 HB3 0.16 0.00 0.07 -0.04 1.41 1.60 2rliA22 PHE 261 H 0.38 0.56 0.14 -0.55 8.34 8.87 2rliA22 PHE 261 HA 0.05 -0.02 0.35 -0.75 4.62 4.24 2rliA22 PHE 261 HB2 0.43 -0.01 0.04 -0.04 3.15 3.56 2rliA22 PHE 261 HB3 0.24 0.06 0.07 -0.04 3.06 3.39 2rliA22 PHE 261 HD2 0.10 -0.02 0.02 -0.04 7.28 7.34 2rliA22 PHE 261 HE2 0.05 -0.03 0.01 -0.04 7.38 7.37 2rliA22 PHE 261 HZ 0.09 0.05 -0.04 -0.04 7.32 7.37 2rliA22 ARG 262 H 0.12 0.16 -0.68 -0.55 8.46 7.51 2rliA22 ARG 262 HA -0.09 0.04 0.53 -0.75 4.34 4.07 2rliA22 ARG 262 HB2 0.04 0.10 0.03 -0.04 1.90 2.03 2rliA22 ARG 262 HB3 0.02 0.06 -0.08 -0.04 1.80 1.76 2rliA22 ARG 262 HG2 -0.02 -0.04 0.11 -0.04 1.67 1.68 2rliA22 ARG 262 HG3 -0.02 0.01 0.06 -0.04 1.67 1.68 2rliA22 ARG 262 HD2 0.02 0.02 0.02 -0.04 3.22 3.24 2rliA22 ARG 262 HD3 0.01 -0.02 0.01 -0.04 3.22 3.17 2rliA22 SER 263 H 0.05 0.42 -0.32 -0.55 8.46 8.06 2rliA22 SER 263 HA 0.03 -0.01 0.27 -0.75 4.49 4.01 2rliA22 SER 263 HB2 -0.03 0.19 0.23 -0.04 3.95 4.30 2rliA22 SER 263 HB3 -0.01 -0.12 0.09 -0.04 3.93 3.85 2rliA22 VAL 264 H 0.01 0.22 0.16 -0.55 8.24 8.07 2rliA22 VAL 264 HA 0.01 0.15 0.76 -0.75 4.13 4.29 2rliA22 VAL 264 HB 0.01 -0.04 -0.00 -0.04 2.12 2.05 2rliA22 VAL 264 HG13 0.01 -0.02 -0.20 -0.04 0.97 0.71 2rliA22 VAL 264 HG23 0.03 0.03 -0.18 -0.04 0.95 0.80 2rliA22 LEU 265 H 0.01 0.27 0.07 -0.55 8.37 8.17 2rliA22 LEU 265 HA 0.00 0.08 0.78 -0.75 4.35 4.46 2rliA22 LEU 265 HB2 0.00 0.02 0.16 -0.04 1.64 1.79 2rliA22 LEU 265 HB3 0.00 0.01 0.04 -0.04 1.64 1.65 2rliA22 LEU 265 HG -0.00 0.01 0.02 -0.04 1.64 1.63 2rliA22 LEU 265 HD13 -0.00 0.02 -0.25 -0.04 0.93 0.66 2rliA22 LEU 265 HD23 -0.00 0.00 -0.01 -0.04 0.89 0.84 2rliA22 SER 266 H 0.00 0.18 -0.06 -0.55 8.46 8.03 2rliA22 SER 266 HA 0.00 0.12 0.20 -0.75 4.49 4.05 2rliA22 SER 266 HB2 0.01 0.13 -0.12 -0.04 3.95 3.93 2rliA22 SER 266 HB3 0.00 0.01 -0.07 -0.04 3.93 3.83