============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. HIS 11 0.900 28.895 17.648 25.274 -99.200 -91.000 TYR 14 0.840 29.717 15.869 16.484 -99.200 -91.000 TYR 16 0.840 34.134 13.279 26.220 -99.200 -91.000 PHE 18 1.000 42.477 15.702 28.860 -99.200 -91.000 TRP 19 1.040 45.949 8.942 26.174 -99.200 -91.000 TRP6 19 1.020 48.147 9.289 25.364 -99.200 -91.000 PHE 36 1.000 37.806 19.914 20.500 -99.200 -91.000 TRP 40 1.040 48.908 22.115 24.326 -99.200 -91.000 TRP6 40 1.020 47.496 22.973 22.654 -99.200 -91.000 PHE 48 1.000 43.408 19.049 24.572 -99.200 -91.000 PHE 54 1.000 32.912 5.424 11.978 -99.200 -91.000 HIS 60 0.900 37.327 4.619 2.247 -99.200 -91.000 TYR 70 0.840 38.642 22.784 10.050 -99.200 -91.000 PHE 74 1.000 46.558 24.737 15.836 -99.200 -91.000 TYR 81 0.840 51.343 17.261 14.474 -99.200 -91.000 TYR 85 0.840 44.604 10.433 15.871 -99.200 -91.000 TRP 87 1.040 43.981 5.088 16.162 -99.200 -91.000 TRP6 87 1.020 46.105 4.054 16.172 -99.200 -91.000 TYR 95 0.840 42.357 8.294 9.552 -99.200 -91.000 TYR 96 0.840 48.482 12.148 13.078 -99.200 -91.000 TRP 101 1.040 52.720 23.519 10.143 -99.200 -91.000 TRP6 101 1.020 51.615 23.245 8.065 -99.200 -91.000 TRP 104 1.040 59.021 19.484 12.184 -99.200 -91.000 TRP6 104 1.020 57.959 17.395 12.597 -99.200 -91.000 TYR 122 0.840 45.176 18.794 2.278 -99.200 -91.000 TYR 125 0.840 54.804 13.985 3.826 -99.200 -91.000 PHE 141 1.000 50.785 2.222 15.378 -99.200 -91.000 TYR 144 0.840 47.900 4.398 5.404 -99.200 -91.000 TRP 145 1.040 51.907 11.112 8.802 -99.200 -91.000 TRP6 145 1.020 51.697 12.628 10.602 -99.200 -91.000 HIS 162 0.900 42.716 14.612 2.294 -99.200 -91.000 PHE 163 1.000 39.615 8.043 5.237 -99.200 -91.000 TRP 166 1.040 45.962 9.077 2.487 -99.200 -91.000 TRP6 166 1.020 44.947 9.228 4.611 -99.200 -91.000 TYR 177 0.840 39.068 2.652 17.598 -99.200 -91.000 TYR 186 0.840 53.976 14.251 19.701 -99.200 -91.000 TYR 195 0.840 35.519 29.414 14.822 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2f6bB1 THR 1 HA -0.10 0.07 0.28 -0.75 4.39 3.88 2f6bB1 THR 1 HB -0.02 -0.05 -0.02 -0.04 4.32 4.19 2f6bB1 THR 1 HG23 0.01 0.06 0.04 -0.04 1.22 1.28 2f6bB1 ILE 2 H -0.04 0.13 0.12 -0.55 8.25 7.92 2f6bB1 ILE 2 HA -0.04 0.16 0.47 -0.75 4.18 4.02 2f6bB1 ILE 2 HB -0.03 -0.02 0.12 -0.04 1.89 1.93 2f6bB1 ILE 2 HG12 -0.00 -0.01 -0.07 -0.04 1.49 1.37 2f6bB1 ILE 2 HG13 -0.01 -0.04 -0.12 -0.04 1.21 1.00 2f6bB1 ILE 2 HG23 -0.02 -0.02 -0.23 -0.04 0.93 0.62 2f6bB1 ILE 2 HD13 -0.01 0.00 0.01 -0.04 0.88 0.85 2f6bB1 VAL 3 H -0.04 0.95 0.48 -0.55 8.24 9.07 2f6bB1 VAL 3 HA -0.13 0.12 0.99 -0.75 4.13 4.36 2f6bB1 VAL 3 HB -0.02 -0.02 0.20 -0.04 2.12 2.23 2f6bB1 VAL 3 HG13 -0.15 -0.02 0.02 -0.04 0.97 0.78 2f6bB1 VAL 3 HG23 -0.15 0.03 -0.12 -0.04 0.95 0.67 2f6bB1 THR 4 H -0.25 0.12 0.16 -0.55 8.28 7.75 2f6bB1 THR 4 HA -0.33 0.31 1.19 -0.75 4.39 4.80 2f6bB1 THR 4 HB -0.06 0.04 0.25 -0.04 4.32 4.51 2f6bB1 THR 4 HG23 -0.03 -0.02 -0.15 -0.04 1.22 0.98 2f6bB1 ASP 5 H -0.52 0.09 0.12 -0.55 8.40 7.54 2f6bB1 ASP 5 HA -0.43 0.12 0.02 -0.75 4.63 3.59 2f6bB1 ASP 5 HB2 -0.06 -0.04 0.26 -0.04 2.71 2.83 2f6bB1 ASP 5 HB3 -0.13 0.20 0.02 -0.04 2.70 2.75 2f6bB1 ASN 6 H 0.01 0.12 0.12 -0.55 8.53 8.24 2f6bB1 ASN 6 HA 0.32 0.25 0.35 -0.75 4.76 4.92 2f6bB1 ASN 6 HB2 0.08 -0.03 0.17 -0.04 2.88 3.06 2f6bB1 ASN 6 HB3 0.23 0.04 0.09 -0.04 2.79 3.11 2f6bB1 ASN 6 HD21 -0.35 0.31 0.16 -0.04 7.03 7.11 2f6bB1 ASN 6 HD22 0.05 -0.04 0.08 -0.04 7.74 7.79 2f6bB1 SER 7 H 0.20 0.52 0.40 -0.55 8.46 9.04 2f6bB1 SER 7 HA 0.05 0.06 0.73 -0.75 4.49 4.57 2f6bB1 SER 7 HB2 0.02 0.06 -0.22 -0.04 3.95 3.77 2f6bB1 SER 7 HB3 0.08 0.13 0.04 -0.04 3.93 4.14 2f6bB1 THR 8 H -0.05 0.18 0.02 -0.55 8.28 7.87 2f6bB1 THR 8 HA -0.26 0.23 0.93 -0.75 4.39 4.55 2f6bB1 THR 8 HB -0.03 -0.08 -0.05 -0.04 4.32 4.12 2f6bB1 THR 8 HG23 -0.08 0.00 0.11 -0.04 1.22 1.22 2f6bB1 GLY 9 H -1.61 0.15 0.03 -0.55 8.43 6.46 2f6bB1 GLY 9 HA2 -0.17 0.23 0.98 -0.51 4.01 4.54 2f6bB1 GLY 9 HA3 -0.19 -0.01 0.36 -0.51 4.01 3.66 2f6bB1 ASN 10 H 0.17 0.28 0.21 -0.55 8.53 8.64 2f6bB1 ASN 10 HA 0.16 0.26 0.80 -0.75 4.76 5.23 2f6bB1 ASN 10 HB2 0.01 0.05 -0.11 -0.04 2.88 2.79 2f6bB1 ASN 10 HB3 0.06 -0.03 0.03 -0.04 2.79 2.81 2f6bB1 ASN 10 HD21 -0.02 0.10 -0.28 -0.04 7.03 6.79 2f6bB1 ASN 10 HD22 -0.02 0.02 -0.12 -0.04 7.74 7.58 2f6bB1 HIS 11 H 0.28 0.63 0.08 -0.55 8.41 8.85 2f6bB1 HIS 11 HA 0.11 0.07 0.88 -0.75 4.63 4.94 2f6bB1 HIS 11 HB2 0.10 0.00 -0.22 -0.04 3.26 3.10 2f6bB1 HIS 11 HB3 0.14 0.10 0.05 -0.04 3.20 3.45 2f6bB1 HIS 11 HD2 0.01 -0.01 0.02 -0.04 6.97 6.94 2f6bB1 HIS 11 HE1 0.02 0.07 -0.45 -0.04 7.75 7.35 2f6bB1 ASP 12 H -0.16 0.17 0.16 -0.55 8.40 8.01 2f6bB1 ASP 12 HA -0.07 0.03 0.37 -0.75 4.63 4.20 2f6bB1 ASP 12 HB2 -0.23 0.16 -0.33 -0.04 2.71 2.27 2f6bB1 ASP 12 HB3 0.13 0.01 0.39 -0.04 2.70 3.20 2f6bB1 GLY 13 H 0.05 0.01 -0.30 -0.55 8.43 7.64 2f6bB1 GLY 13 HA2 -0.00 -0.01 0.26 -0.51 4.01 3.74 2f6bB1 GLY 13 HA3 -0.02 0.13 0.40 -0.51 4.01 4.02 2f6bB1 TYR 14 H 0.30 0.40 -0.54 -0.55 8.29 7.90 2f6bB1 TYR 14 HA 0.04 0.17 0.89 -0.75 4.56 4.90 2f6bB1 TYR 14 HB2 0.14 0.26 0.07 -0.04 3.06 3.49 2f6bB1 TYR 14 HB3 0.12 0.00 -0.09 -0.04 2.98 2.97 2f6bB1 TYR 14 HD2 0.08 0.11 -0.12 -0.04 7.15 7.17 2f6bB1 TYR 14 HE2 0.06 -0.10 0.06 -0.04 6.85 6.83 2f6bB1 ASP 15 H 0.00 0.27 0.24 -0.55 8.40 8.36 2f6bB1 ASP 15 HA 0.03 0.17 0.82 -0.75 4.63 4.89 2f6bB1 ASP 15 HB2 -0.07 -0.13 -0.06 -0.04 2.71 2.40 2f6bB1 ASP 15 HB3 -0.09 0.12 0.00 -0.04 2.70 2.69 2f6bB1 TYR 16 H -0.03 0.32 0.15 -0.55 8.29 8.18 2f6bB1 TYR 16 HA 0.01 0.34 1.09 -0.75 4.56 5.25 2f6bB1 TYR 16 HB2 -0.05 0.04 0.07 -0.04 3.06 3.08 2f6bB1 TYR 16 HB3 0.05 0.07 -0.05 -0.04 2.98 3.01 2f6bB1 TYR 16 HD2 0.07 0.05 -0.30 -0.04 7.15 6.93 2f6bB1 TYR 16 HE2 0.05 0.02 -0.16 -0.04 6.85 6.72 2f6bB1 GLU 17 H 0.11 0.60 0.29 -0.55 8.60 9.05 2f6bB1 GLU 17 HA 0.01 0.14 0.45 -0.75 4.29 4.14 2f6bB1 GLU 17 HB2 -0.01 0.06 -0.13 -0.04 2.09 1.97 2f6bB1 GLU 17 HB3 0.05 -0.09 -0.07 -0.04 1.99 1.83 2f6bB1 GLU 17 HG2 0.14 0.00 -0.30 -0.04 2.34 2.14 2f6bB1 GLU 17 HG3 0.04 0.09 0.12 -0.04 2.34 2.55 2f6bB1 PHE 18 H 0.30 0.59 0.29 -0.55 8.34 8.96 2f6bB1 PHE 18 HA -0.02 0.25 0.92 -0.75 4.62 5.01 2f6bB1 PHE 18 HB2 0.14 -0.03 0.02 -0.04 3.15 3.24 2f6bB1 PHE 18 HB3 0.09 0.02 0.18 -0.04 3.06 3.32 2f6bB1 PHE 18 HD2 0.08 -0.08 -0.44 -0.04 7.28 6.80 2f6bB1 PHE 18 HE2 0.09 -0.06 -0.40 -0.04 7.38 6.98 2f6bB1 PHE 18 HZ 0.03 0.08 -0.23 -0.04 7.32 7.15 2f6bB1 TRP 19 H -0.38 0.66 0.22 -0.55 7.97 7.93 2f6bB1 TRP 19 HA -0.00 0.09 0.65 -0.75 4.62 4.61 2f6bB1 TRP 19 HB2 -0.06 0.05 -0.19 -0.04 3.23 2.98 2f6bB1 TRP 19 HB3 -0.17 -0.05 -0.04 -0.04 3.23 2.94 2f6bB1 TRP 19 HD1 0.00 0.02 0.03 -0.04 7.22 7.23 2f6bB1 TRP 19 HE1 -0.01 -0.00 -0.07 -0.04 10.20 10.08 2f6bB1 TRP 19 HE3 -0.19 -0.06 -0.35 -0.04 7.59 6.95 2f6bB1 TRP 19 HZ2 -0.01 -0.01 -0.12 -0.04 7.44 7.27 2f6bB1 TRP 19 HZ3 -0.12 -0.02 -0.21 -0.04 7.13 6.74 2f6bB1 TRP 19 HH2 -0.01 -0.01 -0.09 -0.04 7.19 7.03 2f6bB1 LYS 20 H -1.12 0.26 0.14 -0.55 8.42 7.15 2f6bB1 LYS 20 HA -1.02 0.26 0.79 -0.75 4.32 3.60 2f6bB1 LYS 20 HB2 -0.44 0.07 0.11 -0.04 1.87 1.57 2f6bB1 LYS 20 HB3 -0.60 -0.10 -0.21 -0.04 1.79 0.84 2f6bB1 LYS 20 HG2 -0.12 -0.18 -0.02 -0.04 1.46 1.09 2f6bB1 LYS 20 HG3 -0.28 0.35 -0.21 -0.04 1.46 1.27 2f6bB1 LYS 20 HD2 -0.01 -0.10 -0.21 -0.04 1.69 1.33 2f6bB1 LYS 20 HD3 0.10 -0.03 -0.07 -0.04 1.68 1.64 2f6bB1 LYS 20 HE2 -0.12 0.07 -0.15 -0.04 2.99 2.75 2f6bB1 LYS 20 HE3 0.01 -0.15 -0.50 -0.04 2.99 2.31 2f6bB1 ASP 21 H -0.80 0.26 0.20 -0.55 8.40 7.51 2f6bB1 ASP 21 HA -0.42 0.14 0.83 -0.75 4.63 4.43 2f6bB1 ASP 21 HB2 -0.05 -0.12 0.26 -0.04 2.71 2.76 2f6bB1 ASP 21 HB3 -0.04 0.01 0.13 -0.04 2.70 2.76 2f6bB1 SER 22 H -0.07 0.06 0.18 -0.55 8.46 8.08 2f6bB1 SER 22 HA -0.09 0.25 0.40 -0.75 4.49 4.30 2f6bB1 SER 22 HB2 -0.03 -0.02 0.12 -0.04 3.95 3.98 2f6bB1 SER 22 HB3 -0.04 0.01 0.04 -0.04 3.93 3.90 2f6bB1 GLY 23 H -0.03 0.08 0.15 -0.55 8.43 8.09 2f6bB1 GLY 23 HA2 -0.01 -0.07 0.45 -0.51 4.01 3.88 2f6bB1 GLY 23 HA3 -0.01 0.13 0.77 -0.51 4.01 4.39 2f6bB1 GLY 24 H 0.01 -0.02 0.19 -0.55 8.43 8.07 2f6bB1 GLY 24 HA2 0.04 -0.01 0.40 -0.51 4.01 3.92 2f6bB1 GLY 24 HA3 0.04 0.09 0.09 -0.51 4.01 3.72 2f6bB1 SER 25 H 0.10 0.53 0.33 -0.55 8.46 8.87 2f6bB1 SER 25 HA 0.09 0.23 0.87 -0.75 4.49 4.93 2f6bB1 SER 25 HB2 0.09 0.01 0.08 -0.04 3.95 4.08 2f6bB1 SER 25 HB3 0.05 0.03 -0.12 -0.04 3.93 3.85 2f6bB1 GLY 26 H 0.23 0.36 0.22 -0.55 8.43 8.69 2f6bB1 GLY 26 HA2 0.39 0.22 0.74 -0.51 4.01 4.84 2f6bB1 GLY 26 HA3 0.43 0.00 0.31 -0.51 4.01 4.24 2f6bB1 THR 27 H 0.39 0.67 0.33 -0.55 8.28 9.11 2f6bB1 THR 27 HA 0.21 0.25 0.95 -0.75 4.39 5.04 2f6bB1 THR 27 HB 0.12 -0.09 0.17 -0.04 4.32 4.48 2f6bB1 THR 27 HG23 0.06 -0.00 -0.15 -0.04 1.22 1.08 2f6bB1 MET 28 H 0.28 0.81 0.35 -0.55 8.47 9.37 2f6bB1 MET 28 HA 0.10 0.29 1.12 -0.75 4.52 5.27 2f6bB1 MET 28 HB2 0.79 -0.04 0.05 -0.04 2.15 2.91 2f6bB1 MET 28 HB3 0.34 -0.03 0.20 -0.04 2.03 2.50 2f6bB1 MET 28 HG2 0.04 0.02 -0.25 -0.04 2.63 2.39 2f6bB1 MET 28 HG3 0.09 0.04 -0.01 -0.04 2.56 2.64 2f6bB1 MET 28 HE3 -0.45 -0.00 -0.18 -0.04 2.10 1.43 2f6bB1 ILE 29 H 0.07 0.48 0.20 -0.55 8.25 8.45 2f6bB1 ILE 29 HA -0.02 0.20 0.79 -0.75 4.18 4.39 2f6bB1 ILE 29 HB 0.03 -0.10 0.12 -0.04 1.89 1.90 2f6bB1 ILE 29 HG12 0.01 0.01 -0.12 -0.04 1.49 1.35 2f6bB1 ILE 29 HG13 0.02 -0.04 -0.33 -0.04 1.21 0.82 2f6bB1 ILE 29 HG23 -0.00 -0.00 -0.28 -0.04 0.93 0.61 2f6bB1 ILE 29 HD13 0.02 0.00 -0.12 -0.04 0.88 0.74 2f6bB1 LEU 30 H -0.16 0.80 0.21 -0.55 8.37 8.67 2f6bB1 LEU 30 HA -0.14 0.08 0.66 -0.75 4.35 4.20 2f6bB1 LEU 30 HB2 -0.56 0.01 0.19 -0.04 1.64 1.23 2f6bB1 LEU 30 HB3 -1.10 0.05 0.02 -0.04 1.64 0.57 2f6bB1 LEU 30 HG -0.41 0.17 0.06 -0.04 1.64 1.42 2f6bB1 LEU 30 HD13 -1.11 -0.03 -0.08 -0.04 0.93 -0.32 2f6bB1 LEU 30 HD23 -0.36 -0.02 -0.16 -0.04 0.89 0.32 2f6bB1 ASN 31 H 0.04 0.36 0.06 -0.55 8.53 8.44 2f6bB1 ASN 31 HA 0.09 0.16 0.81 -0.75 4.76 5.07 2f6bB1 ASN 31 HB2 0.06 0.02 -0.21 -0.04 2.88 2.71 2f6bB1 ASN 31 HB3 0.06 -0.16 0.09 -0.04 2.79 2.73 2f6bB1 ASN 31 HD21 0.03 -0.04 -0.16 -0.04 7.03 6.83 2f6bB1 ASN 31 HD22 0.03 -0.03 -0.19 -0.04 7.74 7.52 2f6bB1 SER 32 H 0.08 0.05 0.07 -0.55 8.46 8.11 2f6bB1 SER 32 HA 0.10 0.02 0.29 -0.75 4.49 4.15 2f6bB1 SER 32 HB2 0.05 -0.01 0.13 -0.04 3.95 4.08 2f6bB1 SER 32 HB3 0.05 0.00 0.00 -0.04 3.93 3.95 2f6bB1 GLY 33 H 0.07 0.04 0.20 -0.55 8.43 8.20 2f6bB1 GLY 33 HA2 0.21 0.13 0.51 -0.51 4.01 4.36 2f6bB1 GLY 33 HA3 0.10 -0.10 0.54 -0.51 4.01 4.04 2f6bB1 GLY 34 H -0.30 0.03 0.36 -0.55 8.43 7.98 2f6bB1 GLY 34 HA2 -1.08 0.06 0.46 -0.51 4.01 2.94 2f6bB1 GLY 34 HA3 -0.88 0.12 0.45 -0.51 4.01 3.19 2f6bB1 THR 35 H -0.06 0.41 -0.05 -0.55 8.28 8.03 2f6bB1 THR 35 HA -0.08 0.09 0.49 -0.75 4.39 4.15 2f6bB1 THR 35 HB -0.03 0.29 0.20 -0.04 4.32 4.73 2f6bB1 THR 35 HG23 -0.01 -0.02 -0.12 -0.04 1.22 1.03 2f6bB1 PHE 36 H -0.17 0.47 0.30 -0.55 8.34 8.39 2f6bB1 PHE 36 HA -0.03 0.09 0.51 -0.75 4.62 4.44 2f6bB1 PHE 36 HB2 -0.02 0.02 0.06 -0.04 3.15 3.17 2f6bB1 PHE 36 HB3 -0.03 0.29 0.04 -0.04 3.06 3.32 2f6bB1 PHE 36 HD2 -0.02 0.18 -0.35 -0.04 7.28 7.05 2f6bB1 PHE 36 HE2 0.02 -0.00 -0.14 -0.04 7.38 7.21 2f6bB1 PHE 36 HZ 0.06 0.00 -0.21 -0.04 7.32 7.13 2f6bB1 SER 37 H 0.15 0.47 0.33 -0.55 8.46 8.86 2f6bB1 SER 37 HA -0.05 0.12 0.78 -0.75 4.49 4.58 2f6bB1 SER 37 HB2 0.01 0.10 0.37 -0.04 3.95 4.39 2f6bB1 SER 37 HB3 0.01 -0.06 0.04 -0.04 3.93 3.87 2f6bB1 ALA 38 H 0.02 0.77 0.47 -0.55 8.40 9.11 2f6bB1 ALA 38 HA -0.17 0.36 1.18 -0.75 4.34 4.96 2f6bB1 ALA 38 HB3 -0.88 -0.01 -0.12 -0.04 1.41 0.36 2f6bB1 SER 39 H 0.02 0.64 0.40 -0.55 8.46 8.98 2f6bB1 SER 39 HA -0.02 0.23 0.98 -0.75 4.49 4.92 2f6bB1 SER 39 HB2 0.04 0.00 0.08 -0.04 3.95 4.03 2f6bB1 SER 39 HB3 0.07 -0.04 -0.01 -0.04 3.93 3.91 2f6bB1 TRP 40 H -0.20 0.66 0.34 -0.55 7.97 8.22 2f6bB1 TRP 40 HA 0.14 0.24 0.84 -0.75 4.62 5.08 2f6bB1 TRP 40 HB2 0.12 0.08 0.05 -0.04 3.23 3.43 2f6bB1 TRP 40 HB3 0.40 0.01 -0.24 -0.04 3.23 3.36 2f6bB1 TRP 40 HD1 0.04 0.11 -0.38 -0.04 7.22 6.95 2f6bB1 TRP 40 HE1 0.05 0.02 -0.59 -0.04 10.20 9.63 2f6bB1 TRP 40 HE3 0.06 -0.07 -0.55 -0.04 7.59 6.99 2f6bB1 TRP 40 HZ2 0.06 0.04 -0.33 -0.04 7.44 7.17 2f6bB1 TRP 40 HZ3 0.08 -0.02 -0.50 -0.04 7.13 6.65 2f6bB1 TRP 40 HH2 0.12 0.04 -0.40 -0.04 7.19 6.91 2f6bB1 ASN 41 H 0.23 0.69 0.25 -0.55 8.53 9.15 2f6bB1 ASN 41 HA -0.03 0.04 0.98 -0.75 4.76 4.99 2f6bB1 ASN 41 HB2 -0.00 0.01 -0.27 -0.04 2.88 2.58 2f6bB1 ASN 41 HB3 0.04 -0.02 0.07 -0.04 2.79 2.84 2f6bB1 ASN 41 HD21 -0.05 0.01 0.04 -0.04 7.03 6.99 2f6bB1 ASN 41 HD22 -0.10 0.04 0.19 -0.04 7.74 7.83 2f6bB1 ASN 42 H 0.05 0.17 0.12 -0.55 8.53 8.32 2f6bB1 ASN 42 HA 0.07 0.08 0.24 -0.75 4.76 4.39 2f6bB1 ASN 42 HB2 0.03 -0.02 -0.30 -0.04 2.88 2.54 2f6bB1 ASN 42 HB3 0.03 -0.01 0.23 -0.04 2.79 3.00 2f6bB1 ASN 42 HD21 0.02 0.01 -0.01 -0.04 7.03 7.00 2f6bB1 ASN 42 HD22 0.02 0.01 0.01 -0.04 7.74 7.73 2f6bB1 VAL 43 H 0.18 0.34 -0.00 -0.55 8.24 8.21 2f6bB1 VAL 43 HA 0.02 0.30 0.39 -0.75 4.13 4.10 2f6bB1 VAL 43 HB -0.08 0.02 -0.23 -0.04 2.12 1.79 2f6bB1 VAL 43 HG13 0.14 -0.01 -0.24 -0.04 0.97 0.82 2f6bB1 VAL 43 HG23 0.05 0.03 -0.41 -0.04 0.95 0.57 2f6bB1 ASN 44 H -0.05 0.31 0.00 -0.55 8.53 8.24 2f6bB1 ASN 44 HA 0.04 0.11 0.84 -0.75 4.76 4.99 2f6bB1 ASN 44 HB2 -0.05 0.09 0.18 -0.04 2.88 3.06 2f6bB1 ASN 44 HB3 0.01 -0.00 0.03 -0.04 2.79 2.78 2f6bB1 ASN 44 HD21 0.02 -0.05 0.03 -0.04 7.03 6.99 2f6bB1 ASN 44 HD22 -0.01 0.29 0.12 -0.04 7.74 8.10 2f6bB1 ASN 45 H -0.15 0.16 0.11 -0.55 8.53 8.10 2f6bB1 ASN 45 HA -0.49 0.43 0.92 -0.75 4.76 4.87 2f6bB1 ASN 45 HB2 -0.13 -0.01 -0.14 -0.04 2.88 2.56 2f6bB1 ASN 45 HB3 0.03 -0.09 0.07 -0.04 2.79 2.76 2f6bB1 ASN 45 HD21 -0.01 0.00 -0.14 -0.04 7.03 6.85 2f6bB1 ASN 45 HD22 0.23 -0.04 -0.11 -0.04 7.74 7.78 2f6bB1 ILE 46 H -0.45 0.59 0.24 -0.55 8.25 8.09 2f6bB1 ILE 46 HA -0.48 0.33 0.96 -0.75 4.18 4.23 2f6bB1 ILE 46 HB -0.41 -0.02 -0.20 -0.04 1.89 1.23 2f6bB1 ILE 46 HG12 -1.64 -0.02 -0.31 -0.04 1.49 -0.52 2f6bB1 ILE 46 HG13 -0.97 0.17 -0.03 -0.04 1.21 0.34 2f6bB1 ILE 46 HG23 -0.66 -0.02 -0.17 -0.04 0.93 0.04 2f6bB1 ILE 46 HD13 -0.43 -0.01 -0.19 -0.04 0.88 0.22 2f6bB1 LEU 47 H -0.50 0.79 0.31 -0.55 8.37 8.42 2f6bB1 LEU 47 HA -0.35 0.28 0.97 -0.75 4.35 4.50 2f6bB1 LEU 47 HB2 -0.02 -0.04 0.01 -0.04 1.64 1.55 2f6bB1 LEU 47 HB3 -0.19 0.01 -0.16 -0.04 1.64 1.26 2f6bB1 LEU 47 HG -0.25 0.08 -0.11 -0.04 1.64 1.32 2f6bB1 LEU 47 HD13 0.02 -0.02 -0.28 -0.04 0.93 0.60 2f6bB1 LEU 47 HD23 -0.62 -0.00 -0.20 -0.04 0.89 0.03 2f6bB1 PHE 48 H -0.08 0.75 0.27 -0.55 8.34 8.73 2f6bB1 PHE 48 HA -0.19 0.26 0.94 -0.75 4.62 4.87 2f6bB1 PHE 48 HB2 0.04 -0.08 0.12 -0.04 3.15 3.19 2f6bB1 PHE 48 HB3 -0.24 0.03 -0.00 -0.04 3.06 2.81 2f6bB1 PHE 48 HD2 -0.09 0.05 -0.10 -0.04 7.28 7.10 2f6bB1 PHE 48 HE2 -0.17 -0.03 -0.33 -0.04 7.38 6.81 2f6bB1 PHE 48 HZ 0.15 0.05 -0.21 -0.04 7.32 7.27 2f6bB1 ARG 49 H -0.07 0.60 0.21 -0.55 8.46 8.64 2f6bB1 ARG 49 HA -0.08 0.22 0.71 -0.75 4.34 4.44 2f6bB1 ARG 49 HB2 0.07 0.04 -0.19 -0.04 1.90 1.77 2f6bB1 ARG 49 HB3 -0.01 -0.03 -0.30 -0.04 1.80 1.42 2f6bB1 ARG 49 HG2 0.01 0.05 -0.12 -0.04 1.67 1.57 2f6bB1 ARG 49 HG3 0.05 -0.00 -0.27 -0.04 1.67 1.41 2f6bB1 ARG 49 HD2 0.17 0.02 -0.31 -0.04 3.22 3.05 2f6bB1 ARG 49 HD3 -0.02 -0.03 -0.30 -0.04 3.22 2.84 2f6bB1 LYS 50 H 0.13 0.51 0.20 -0.55 8.42 8.70 2f6bB1 LYS 50 HA 0.13 0.26 0.91 -0.75 4.32 4.87 2f6bB1 LYS 50 HB2 0.16 -0.08 -0.03 -0.04 1.87 1.88 2f6bB1 LYS 50 HB3 0.17 0.04 0.17 -0.04 1.79 2.13 2f6bB1 LYS 50 HG2 0.20 -0.03 -0.07 -0.04 1.46 1.52 2f6bB1 LYS 50 HG3 0.17 -0.07 -0.03 -0.04 1.46 1.50 2f6bB1 LYS 50 HD2 0.09 -0.17 -0.11 -0.04 1.69 1.45 2f6bB1 LYS 50 HD3 0.19 0.23 -0.26 -0.04 1.68 1.80 2f6bB1 LYS 50 HE2 0.25 0.05 0.05 -0.04 2.99 3.30 2f6bB1 LYS 50 HE3 0.13 -0.21 -0.03 -0.04 2.99 2.84 2f6bB1 GLY 51 H 0.16 0.78 0.14 -0.55 8.43 8.96 2f6bB1 GLY 51 HA2 0.29 0.02 0.67 -0.51 4.01 4.48 2f6bB1 GLY 51 HA3 0.12 0.05 0.64 -0.51 4.01 4.31 2f6bB1 LYS 52 H -0.04 0.76 0.39 -0.55 8.42 8.98 2f6bB1 LYS 52 HA -0.21 0.08 0.95 -0.75 4.32 4.38 2f6bB1 LYS 52 HB2 -0.21 0.05 -0.02 -0.04 1.87 1.65 2f6bB1 LYS 52 HB3 -0.32 -0.08 0.09 -0.04 1.79 1.44 2f6bB1 LYS 52 HG2 -0.34 -0.03 -0.05 -0.04 1.46 1.00 2f6bB1 LYS 52 HG3 -1.25 -0.02 -0.31 -0.04 1.46 -0.17 2f6bB1 LYS 52 HD2 -0.33 0.08 0.18 -0.04 1.69 1.59 2f6bB1 LYS 52 HD3 -0.23 0.03 0.19 -0.04 1.68 1.62 2f6bB1 LYS 52 HE2 -0.09 -0.04 0.03 -0.04 2.99 2.85 2f6bB1 LYS 52 HE3 -0.13 0.01 0.07 -0.04 2.99 2.90 2f6bB1 LYS 53 H -0.29 0.16 0.17 -0.55 8.42 7.91 2f6bB1 LYS 53 HA -0.43 0.20 0.96 -0.75 4.32 4.30 2f6bB1 LYS 53 HB2 -0.24 -0.04 0.09 -0.04 1.87 1.64 2f6bB1 LYS 53 HB3 -0.39 0.11 0.07 -0.04 1.79 1.54 2f6bB1 LYS 53 HG2 -0.22 -0.02 -0.10 -0.04 1.46 1.08 2f6bB1 LYS 53 HG3 -0.17 -0.01 -0.08 -0.04 1.46 1.17 2f6bB1 LYS 53 HD2 -0.16 0.01 -0.05 -0.04 1.69 1.46 2f6bB1 LYS 53 HD3 -0.43 0.05 -0.00 -0.04 1.68 1.26 2f6bB1 LYS 53 HE2 0.03 -0.02 -0.09 -0.04 2.99 2.87 2f6bB1 LYS 53 HE3 -0.02 -0.04 -0.12 -0.04 2.99 2.77 2f6bB1 PHE 54 H -0.25 0.62 0.15 -0.55 8.34 8.30 2f6bB1 PHE 54 HA -0.07 0.16 0.81 -0.75 4.62 4.77 2f6bB1 PHE 54 HB2 -0.04 0.16 -0.23 -0.04 3.15 3.00 2f6bB1 PHE 54 HB3 -0.02 -0.16 0.00 -0.04 3.06 2.85 2f6bB1 PHE 54 HD2 0.01 -0.05 -0.31 -0.04 7.28 6.89 2f6bB1 PHE 54 HE2 0.06 0.01 -0.17 -0.04 7.38 7.23 2f6bB1 PHE 54 HZ 0.05 0.00 -0.14 -0.04 7.32 7.19 2f6bB1 ASN 55 H 0.14 0.12 0.15 -0.55 8.53 8.39 2f6bB1 ASN 55 HA 0.02 0.17 0.48 -0.75 4.76 4.68 2f6bB1 ASN 55 HB2 0.02 0.05 0.14 -0.04 2.88 3.05 2f6bB1 ASN 55 HB3 0.04 0.02 0.14 -0.04 2.79 2.95 2f6bB1 ASN 55 HD21 0.02 -0.01 -0.04 -0.04 7.03 6.95 2f6bB1 ASN 55 HD22 0.02 0.05 0.00 -0.04 7.74 7.77 2f6bB1 GLU 56 H 0.11 0.05 -0.24 -0.55 8.60 7.97 2f6bB1 GLU 56 HA 0.10 0.20 0.13 -0.75 4.29 3.96 2f6bB1 GLU 56 HB2 0.06 0.44 -0.27 -0.04 2.09 2.28 2f6bB1 GLU 56 HB3 0.06 -0.06 0.15 -0.04 1.99 2.09 2f6bB1 GLU 56 HG2 0.20 -0.03 -0.07 -0.04 2.34 2.40 2f6bB1 GLU 56 HG3 0.21 0.12 -0.12 -0.04 2.34 2.51 2f6bB1 THR 57 H 0.03 -0.08 -0.12 -0.55 8.28 7.56 2f6bB1 THR 57 HA 0.01 0.26 0.73 -0.75 4.39 4.64 2f6bB1 THR 57 HB 0.00 0.01 -0.00 -0.04 4.32 4.29 2f6bB1 THR 57 HG23 0.01 0.04 -0.17 -0.04 1.22 1.06 2f6bB1 GLN 58 H -0.03 -0.01 0.06 -0.55 8.47 7.95 2f6bB1 GLN 58 HA -0.04 0.24 0.89 -0.75 4.36 4.70 2f6bB1 GLN 58 HB2 -0.10 0.06 -0.02 -0.04 2.15 2.04 2f6bB1 GLN 58 HB3 -0.05 -0.01 0.07 -0.04 2.02 1.99 2f6bB1 GLN 58 HG2 -0.02 0.07 -0.10 -0.04 2.40 2.30 2f6bB1 GLN 58 HG3 -0.03 -0.17 0.03 -0.04 2.39 2.19 2f6bB1 GLN 58 HE21 -0.03 0.12 -0.17 -0.04 6.97 6.84 2f6bB1 GLN 58 HE22 -0.04 -0.02 -0.15 -0.04 7.69 7.45 2f6bB1 THR 59 H -0.06 0.10 0.17 -0.55 8.28 7.94 2f6bB1 THR 59 HA -0.04 0.29 0.69 -0.75 4.39 4.58 2f6bB1 THR 59 HB -0.07 0.01 0.16 -0.04 4.32 4.38 2f6bB1 THR 59 HG23 -0.03 0.06 -0.01 -0.04 1.22 1.20 2f6bB1 HIS 60 H 0.01 0.27 0.13 -0.55 8.41 8.27 2f6bB1 HIS 60 HA -0.07 0.11 0.30 -0.75 4.63 4.22 2f6bB1 HIS 60 HB2 0.22 0.04 0.02 -0.04 3.26 3.50 2f6bB1 HIS 60 HB3 -0.05 0.05 0.05 -0.04 3.20 3.21 2f6bB1 HIS 60 HD2 -0.07 0.09 0.02 -0.04 6.97 6.96 2f6bB1 HIS 60 HE1 0.04 0.03 -0.06 -0.04 7.75 7.71 2f6bB1 GLN 61 H -0.63 0.07 -0.10 -0.55 8.47 7.26 2f6bB1 GLN 61 HA -0.17 0.08 0.32 -0.75 4.36 3.84 2f6bB1 GLN 61 HB2 -0.21 -0.05 0.04 -0.04 2.15 1.88 2f6bB1 GLN 61 HB3 -0.14 0.07 -0.03 -0.04 2.02 1.89 2f6bB1 GLN 61 HG2 -0.16 0.06 -0.00 -0.04 2.40 2.26 2f6bB1 GLN 61 HG3 -0.39 -0.01 -0.00 -0.04 2.39 1.94 2f6bB1 GLN 61 HE21 -0.06 0.04 -0.00 -0.04 6.97 6.91 2f6bB1 GLN 61 HE22 -0.08 0.03 -0.01 -0.04 7.69 7.59 2f6bB1 GLN 62 H -0.12 -0.03 -0.36 -0.55 8.47 7.41 2f6bB1 GLN 62 HA -0.06 0.08 0.37 -0.75 4.36 4.00 2f6bB1 GLN 62 HB2 -0.08 0.06 0.13 -0.04 2.15 2.22 2f6bB1 GLN 62 HB3 -0.05 0.05 0.01 -0.04 2.02 1.99 2f6bB1 GLN 62 HG2 -0.05 0.07 0.02 -0.04 2.40 2.39 2f6bB1 GLN 62 HG3 -0.08 -0.11 0.05 -0.04 2.39 2.22 2f6bB1 GLN 62 HE21 -0.03 0.08 0.01 -0.04 6.97 6.99 2f6bB1 GLN 62 HE22 -0.03 0.04 0.00 -0.04 7.69 7.66 2f6bB1 VAL 63 H -0.10 0.42 -0.11 -0.55 8.24 7.90 2f6bB1 VAL 63 HA -0.07 -0.03 0.31 -0.75 4.13 3.59 2f6bB1 VAL 63 HB -0.13 0.12 0.02 -0.04 2.12 2.10 2f6bB1 VAL 63 HG13 -0.16 -0.02 -0.11 -0.04 0.97 0.64 2f6bB1 VAL 63 HG23 -0.42 0.02 -0.07 -0.04 0.95 0.44 2f6bB1 GLY 64 H -0.03 0.29 -0.58 -0.55 8.43 7.56 2f6bB1 GLY 64 HA2 -0.01 0.08 0.27 -0.51 4.01 3.85 2f6bB1 GLY 64 HA3 -0.00 0.12 0.80 -0.51 4.01 4.42 2f6bB1 ASN 65 H 0.01 0.13 0.17 -0.55 8.53 8.29 2f6bB1 ASN 65 HA 0.01 0.05 0.51 -0.75 4.76 4.57 2f6bB1 ASN 65 HB2 -0.01 0.06 0.11 -0.04 2.88 3.01 2f6bB1 ASN 65 HB3 -0.00 -0.09 0.20 -0.04 2.79 2.86 2f6bB1 ASN 65 HD21 -0.03 -0.01 -0.15 -0.04 7.03 6.80 2f6bB1 ASN 65 HD22 -0.01 -0.08 -0.20 -0.04 7.74 7.41 2f6bB1 MET 66 H -0.04 0.09 0.22 -0.55 8.47 8.19 2f6bB1 MET 66 HA 0.02 0.48 1.18 -0.75 4.52 5.45 2f6bB1 MET 66 HB2 -0.03 -0.14 -0.04 -0.04 2.15 1.91 2f6bB1 MET 66 HB3 0.07 0.11 0.00 -0.04 2.03 2.17 2f6bB1 MET 66 HG2 0.06 0.11 -0.38 -0.04 2.63 2.37 2f6bB1 MET 66 HG3 0.02 -0.07 0.03 -0.04 2.56 2.49 2f6bB1 MET 66 HE3 0.24 0.00 -0.07 -0.04 2.10 2.23 2f6bB1 SER 67 H 0.02 0.73 0.35 -0.55 8.46 9.02 2f6bB1 SER 67 HA -0.02 0.07 0.92 -0.75 4.49 4.71 2f6bB1 SER 67 HB2 -0.01 -0.05 0.04 -0.04 3.95 3.89 2f6bB1 SER 67 HB3 0.00 -0.02 -0.14 -0.04 3.93 3.74 2f6bB1 ILE 68 H 0.04 0.56 0.36 -0.55 8.25 8.66 2f6bB1 ILE 68 HA 0.10 0.37 1.20 -0.75 4.18 5.09 2f6bB1 ILE 68 HB 0.06 -0.07 0.13 -0.04 1.89 1.97 2f6bB1 ILE 68 HG12 0.11 0.06 -0.04 -0.04 1.49 1.58 2f6bB1 ILE 68 HG13 0.07 -0.10 -0.36 -0.04 1.21 0.78 2f6bB1 ILE 68 HG23 0.12 0.00 -0.29 -0.04 0.93 0.72 2f6bB1 ILE 68 HD13 0.07 -0.00 -0.14 -0.04 0.88 0.77 2f6bB1 ASN 69 H 0.11 0.58 0.31 -0.55 8.53 8.99 2f6bB1 ASN 69 HA 0.10 0.30 1.15 -0.75 4.76 5.56 2f6bB1 ASN 69 HB2 0.06 -0.04 0.01 -0.04 2.88 2.86 2f6bB1 ASN 69 HB3 0.07 -0.02 0.18 -0.04 2.79 2.98 2f6bB1 ASN 69 HD21 0.02 0.01 -0.15 -0.04 7.03 6.87 2f6bB1 ASN 69 HD22 0.04 -0.08 -0.16 -0.04 7.74 7.50 2f6bB1 TYR 70 H 0.00 0.60 0.30 -0.55 8.29 8.64 2f6bB1 TYR 70 HA -0.05 0.11 0.56 -0.75 4.56 4.43 2f6bB1 TYR 70 HB2 -0.08 0.21 0.13 -0.04 3.06 3.27 2f6bB1 TYR 70 HB3 -0.01 -0.11 -0.31 -0.04 2.98 2.51 2f6bB1 TYR 70 HD2 -0.06 0.05 -0.30 -0.04 7.15 6.80 2f6bB1 TYR 70 HE2 -0.02 0.03 -0.39 -0.04 6.85 6.43 2f6bB1 GLY 71 H -0.17 0.71 0.35 -0.55 8.43 8.78 2f6bB1 GLY 71 HA2 -0.50 0.18 0.81 -0.51 4.01 3.99 2f6bB1 GLY 71 HA3 -0.43 -0.03 0.41 -0.51 4.01 3.44 2f6bB1 ALA 72 H -0.32 0.49 0.35 -0.55 8.40 8.37 2f6bB1 ALA 72 HA -0.45 0.09 1.07 -0.75 4.34 4.30 2f6bB1 ALA 72 HB3 -0.01 0.02 -0.10 -0.04 1.41 1.28 2f6bB1 ASN 73 H 0.06 0.59 0.38 -0.55 8.53 9.02 2f6bB1 ASN 73 HA 0.16 0.16 0.96 -0.75 4.76 5.30 2f6bB1 ASN 73 HB2 0.24 0.01 0.12 -0.04 2.88 3.21 2f6bB1 ASN 73 HB3 0.15 -0.06 0.28 -0.04 2.79 3.11 2f6bB1 ASN 73 HD21 0.03 0.02 -0.05 -0.04 7.03 6.99 2f6bB1 ASN 73 HD22 0.06 -0.03 0.00 -0.04 7.74 7.73 2f6bB1 PHE 74 H 0.20 0.27 0.05 -0.55 8.34 8.31 2f6bB1 PHE 74 HA 0.09 0.10 0.65 -0.75 4.62 4.71 2f6bB1 PHE 74 HB2 0.08 -0.03 -0.14 -0.04 3.15 3.02 2f6bB1 PHE 74 HB3 0.06 0.02 0.11 -0.04 3.06 3.20 2f6bB1 PHE 74 HD2 0.12 -0.02 -0.10 -0.04 7.28 7.25 2f6bB1 PHE 74 HE2 0.22 -0.00 -0.34 -0.04 7.38 7.22 2f6bB1 PHE 74 HZ 0.27 -0.01 -0.66 -0.04 7.32 6.88 2f6bB1 GLN 75 H -0.04 0.56 0.26 -0.55 8.47 8.70 2f6bB1 GLN 75 HA -0.26 0.29 0.81 -0.75 4.36 4.46 2f6bB1 GLN 75 HB2 -0.13 -0.00 0.03 -0.04 2.15 2.01 2f6bB1 GLN 75 HB3 -0.08 0.06 0.06 -0.04 2.02 2.01 2f6bB1 GLN 75 HG2 -0.07 0.05 0.03 -0.04 2.40 2.38 2f6bB1 GLN 75 HG3 -0.10 -0.04 0.03 -0.04 2.39 2.24 2f6bB1 GLN 75 HE21 -0.01 -0.01 -0.07 -0.04 6.97 6.83 2f6bB1 GLN 75 HE22 -0.04 -0.01 -0.06 -0.04 7.69 7.53 2f6bB1 PRO 76 HA -0.13 0.03 0.59 -0.51 4.44 4.43 2f6bB1 PRO 76 HB2 0.09 0.14 -0.15 -0.04 2.28 2.32 2f6bB1 PRO 76 HB3 -0.02 -0.02 -0.12 -0.04 2.02 1.82 2f6bB1 PRO 76 HG2 -0.13 0.01 0.09 -0.04 2.03 1.97 2f6bB1 PRO 76 HG3 -0.38 0.06 -0.20 -0.04 2.03 1.48 2f6bB1 PRO 76 HD2 -0.35 0.16 0.11 -0.04 3.68 3.56 2f6bB1 PRO 76 HD3 -1.36 0.06 -0.28 -0.04 3.65 2.03 2f6bB1 ASN 77 H -0.15 0.67 0.32 -0.55 8.53 8.83 2f6bB1 ASN 77 HA -0.03 0.15 0.84 -0.75 4.76 4.96 2f6bB1 ASN 77 HB2 -0.10 0.03 0.03 -0.04 2.88 2.79 2f6bB1 ASN 77 HB3 -0.14 -0.03 0.07 -0.04 2.79 2.65 2f6bB1 ASN 77 HD21 -0.01 -0.02 -0.02 -0.04 7.03 6.93 2f6bB1 ASN 77 HD22 -0.02 0.05 0.06 -0.04 7.74 7.79 2f6bB1 GLY 78 H 0.06 0.22 -0.03 -0.55 8.43 8.14 2f6bB1 GLY 78 HA2 0.10 0.02 0.35 -0.51 4.01 3.97 2f6bB1 GLY 78 HA3 0.12 0.25 1.01 -0.51 4.01 4.88 2f6bB1 ASN 79 H 0.16 0.37 0.17 -0.55 8.53 8.68 2f6bB1 ASN 79 HA 0.30 -0.13 0.60 -0.75 4.76 4.78 2f6bB1 ASN 79 HB2 0.14 -0.03 0.12 -0.04 2.88 3.06 2f6bB1 ASN 79 HB3 0.15 0.31 0.21 -0.04 2.79 3.41 2f6bB1 ASN 79 HD21 0.17 0.00 -0.10 -0.04 7.03 7.06 2f6bB1 ASN 79 HD22 -0.04 0.05 -0.04 -0.04 7.74 7.67 2f6bB1 ALA 80 H 0.35 0.09 0.35 -0.55 8.40 8.64 2f6bB1 ALA 80 HA -0.02 0.14 0.55 -0.75 4.34 4.25 2f6bB1 ALA 80 HB3 0.40 0.03 -0.10 -0.04 1.41 1.70 2f6bB1 TYR 81 H 0.04 0.57 0.30 -0.55 8.29 8.65 2f6bB1 TYR 81 HA 0.39 0.30 1.23 -0.75 4.56 5.73 2f6bB1 TYR 81 HB2 0.24 -0.07 -0.05 -0.04 3.06 3.14 2f6bB1 TYR 81 HB3 0.28 0.04 0.02 -0.04 2.98 3.28 2f6bB1 TYR 81 HD2 0.35 0.07 -0.18 -0.04 7.15 7.36 2f6bB1 TYR 81 HE2 0.33 0.04 -0.13 -0.04 6.85 7.04 2f6bB1 LEU 82 H 0.15 0.69 0.32 -0.55 8.37 8.99 2f6bB1 LEU 82 HA -0.15 0.31 1.02 -0.75 4.35 4.79 2f6bB1 LEU 82 HB2 -1.49 0.01 -0.06 -0.04 1.64 0.06 2f6bB1 LEU 82 HB3 -0.58 -0.07 0.15 -0.04 1.64 1.10 2f6bB1 LEU 82 HG -0.23 -0.02 -0.17 -0.04 1.64 1.17 2f6bB1 LEU 82 HD13 -0.21 0.02 -0.07 -0.04 0.93 0.64 2f6bB1 LEU 82 HD23 -0.08 0.01 -0.02 -0.04 0.89 0.76 2f6bB1 CYS 83 H -0.00 0.64 0.31 -0.55 8.50 8.90 2f6bB1 CYS 83 HA 0.04 0.06 1.02 -0.75 4.58 4.96 2f6bB1 CYS 83 HB2 0.22 0.12 -0.17 -0.04 2.97 3.09 2f6bB1 CYS 83 HB3 0.25 -0.07 -0.36 -0.04 2.97 2.74 2f6bB1 VAL 84 H 0.06 0.50 0.38 -0.55 8.24 8.62 2f6bB1 VAL 84 HA 0.05 0.29 0.96 -0.75 4.13 4.67 2f6bB1 VAL 84 HB 0.07 -0.05 0.15 -0.04 2.12 2.25 2f6bB1 VAL 84 HG13 0.15 -0.01 -0.15 -0.04 0.97 0.92 2f6bB1 VAL 84 HG23 -0.03 -0.01 -0.03 -0.04 0.95 0.83 2f6bB1 TYR 85 H 0.08 0.59 0.34 -0.55 8.29 8.75 2f6bB1 TYR 85 HA -0.52 0.38 0.92 -0.75 4.56 4.59 2f6bB1 TYR 85 HB2 -0.30 -0.00 -0.29 -0.04 3.06 2.43 2f6bB1 TYR 85 HB3 -0.17 0.02 -0.13 -0.04 2.98 2.65 2f6bB1 TYR 85 HD2 -0.91 -0.01 -0.25 -0.04 7.15 5.94 2f6bB1 TYR 85 HE2 -0.40 -0.02 -0.18 -0.04 6.85 6.21 2f6bB1 GLY 86 H -1.95 0.48 0.30 -0.55 8.43 6.70 2f6bB1 GLY 86 HA2 -0.48 0.01 0.23 -0.51 4.01 3.27 2f6bB1 GLY 86 HA3 -0.42 0.29 0.40 -0.51 4.01 3.76 2f6bB1 TRP 87 H 0.17 0.31 0.33 -0.55 7.97 8.24 2f6bB1 TRP 87 HA -0.24 0.43 1.11 -0.75 4.62 5.17 2f6bB1 TRP 87 HB2 0.02 -0.10 -0.02 -0.04 3.23 3.09 2f6bB1 TRP 87 HB3 -0.25 0.09 -0.05 -0.04 3.23 2.98 2f6bB1 TRP 87 HD1 -0.15 -0.03 -0.20 -0.04 7.22 6.79 2f6bB1 TRP 87 HE1 -0.09 0.03 -0.15 -0.04 10.20 9.94 2f6bB1 TRP 87 HE3 -0.42 0.11 -0.19 -0.04 7.59 7.05 2f6bB1 TRP 87 HZ2 -0.22 0.06 -0.10 -0.04 7.44 7.14 2f6bB1 TRP 87 HZ3 -1.32 0.01 -0.21 -0.04 7.13 5.57 2f6bB1 TRP 87 HH2 -0.86 0.13 -0.05 -0.04 7.19 6.36 2f6bB1 THR 88 H 0.13 0.51 0.36 -0.55 8.28 8.73 2f6bB1 THR 88 HA 0.17 0.23 0.67 -0.75 4.39 4.71 2f6bB1 THR 88 HB 0.04 0.05 -0.32 -0.04 4.32 4.05 2f6bB1 THR 88 HG23 -0.01 -0.02 -0.24 -0.04 1.22 0.91 2f6bB1 VAL 89 H 0.07 0.54 0.13 -0.55 8.24 8.44 2f6bB1 VAL 89 HA -0.03 0.04 0.78 -0.75 4.13 4.17 2f6bB1 VAL 89 HB -0.04 -0.01 -0.03 -0.04 2.12 2.01 2f6bB1 VAL 89 HG13 -0.12 -0.01 -0.06 -0.04 0.97 0.74 2f6bB1 VAL 89 HG23 0.04 0.03 -0.02 -0.04 0.95 0.96 2f6bB1 ASP 90 H -0.01 0.02 -0.44 -0.55 8.40 7.42 2f6bB1 ASP 90 HA 0.01 -0.03 0.26 -0.75 4.63 4.11 2f6bB1 ASP 90 HB2 -0.00 -0.04 -0.67 -0.04 2.71 1.97 2f6bB1 ASP 90 HB3 0.01 0.07 0.14 -0.04 2.70 2.88 2f6bB1 PRO 91 HA 0.02 -0.03 0.31 -0.51 4.44 4.23 2f6bB1 PRO 91 HB2 0.04 0.14 -0.14 -0.04 2.28 2.29 2f6bB1 PRO 91 HB3 0.04 0.03 0.02 -0.04 2.02 2.07 2f6bB1 PRO 91 HG2 0.06 0.06 -0.21 -0.04 2.03 1.90 2f6bB1 PRO 91 HG3 0.07 0.05 -0.11 -0.04 2.03 1.99 2f6bB1 PRO 91 HD2 0.04 0.06 -0.30 -0.04 3.68 3.44 2f6bB1 PRO 91 HD3 0.04 0.13 0.21 -0.04 3.65 3.99 2f6bB1 LEU 92 H 0.02 0.15 0.15 -0.55 8.37 8.14 2f6bB1 LEU 92 HA 0.01 0.32 0.85 -0.75 4.35 4.77 2f6bB1 LEU 92 HB2 -0.03 -0.05 0.19 -0.04 1.64 1.71 2f6bB1 LEU 92 HB3 0.08 0.03 0.12 -0.04 1.64 1.83 2f6bB1 LEU 92 HG -0.10 0.03 -0.10 -0.04 1.64 1.43 2f6bB1 LEU 92 HD13 -0.32 0.04 0.05 -0.04 0.93 0.66 2f6bB1 LEU 92 HD23 -0.26 -0.02 -0.10 -0.04 0.89 0.48 2f6bB1 VAL 93 H 0.11 0.65 0.36 -0.55 8.24 8.80 2f6bB1 VAL 93 HA -0.11 0.24 0.80 -0.75 4.13 4.31 2f6bB1 VAL 93 HB -0.12 -0.15 0.02 -0.04 2.12 1.83 2f6bB1 VAL 93 HG13 -0.75 -0.01 -0.30 -0.04 0.97 -0.13 2f6bB1 VAL 93 HG23 -0.18 0.02 -0.36 -0.04 0.95 0.39 2f6bB1 GLU 94 H -0.28 0.70 0.30 -0.55 8.60 8.77 2f6bB1 GLU 94 HA -1.47 0.24 1.09 -0.75 4.29 3.38 2f6bB1 GLU 94 HB2 -1.63 -0.05 0.02 -0.04 2.09 0.39 2f6bB1 GLU 94 HB3 -0.45 0.01 0.09 -0.04 1.99 1.60 2f6bB1 GLU 94 HG2 -1.13 0.04 -0.10 -0.04 2.34 1.11 2f6bB1 GLU 94 HG3 -2.45 -0.01 0.02 -0.04 2.34 -0.14 2f6bB1 TYR 95 H -1.32 0.64 0.32 -0.55 8.29 7.39 2f6bB1 TYR 95 HA -0.58 0.30 1.26 -0.75 4.56 4.78 2f6bB1 TYR 95 HB2 -0.21 0.07 -0.04 -0.04 3.06 2.83 2f6bB1 TYR 95 HB3 -0.35 -0.06 -0.31 -0.04 2.98 2.23 2f6bB1 TYR 95 HD2 0.06 0.02 -0.48 -0.04 7.15 6.71 2f6bB1 TYR 95 HE2 0.09 -0.02 -0.34 -0.04 6.85 6.54 2f6bB1 TYR 96 H -0.10 0.73 0.38 -0.55 8.29 8.75 2f6bB1 TYR 96 HA -0.07 0.30 1.05 -0.75 4.56 5.09 2f6bB1 TYR 96 HB2 -0.83 -0.02 0.06 -0.04 3.06 2.24 2f6bB1 TYR 96 HB3 -0.14 -0.02 -0.16 -0.04 2.98 2.62 2f6bB1 TYR 96 HD2 -0.76 0.02 -0.23 -0.04 7.15 6.13 2f6bB1 TYR 96 HE2 -0.11 -0.01 -0.20 -0.04 6.85 6.49 2f6bB1 ILE 97 H 0.21 0.81 0.26 -0.55 8.25 8.99 2f6bB1 ILE 97 HA 0.26 0.21 0.87 -0.75 4.18 4.76 2f6bB1 ILE 97 HB 0.04 -0.10 0.20 -0.04 1.89 1.99 2f6bB1 ILE 97 HG12 -0.23 0.03 -0.04 -0.04 1.49 1.21 2f6bB1 ILE 97 HG13 0.51 0.02 -0.55 -0.04 1.21 1.15 2f6bB1 ILE 97 HG23 -0.39 -0.01 -0.11 -0.04 0.93 0.38 2f6bB1 ILE 97 HD13 -0.22 -0.02 -0.13 -0.04 0.88 0.47 2f6bB1 VAL 98 H 0.33 0.82 0.29 -0.55 8.24 9.14 2f6bB1 VAL 98 HA 0.23 0.08 0.75 -0.75 4.13 4.44 2f6bB1 VAL 98 HB 0.21 -0.01 0.22 -0.04 2.12 2.50 2f6bB1 VAL 98 HG13 0.31 0.00 -0.14 -0.04 0.97 1.10 2f6bB1 VAL 98 HG23 0.22 -0.01 -0.16 -0.04 0.95 0.97 2f6bB1 ASP 99 H 0.16 0.51 0.53 -0.55 8.40 9.06 2f6bB1 ASP 99 HA 0.22 0.13 1.03 -0.75 4.63 5.25 2f6bB1 ASP 99 HB2 0.09 -0.02 0.12 -0.04 2.71 2.86 2f6bB1 ASP 99 HB3 0.18 0.26 0.06 -0.04 2.70 3.16 2f6bB1 SER 100 H 0.15 0.35 0.40 -0.55 8.46 8.81 2f6bB1 SER 100 HA -0.23 0.14 0.62 -0.75 4.49 4.27 2f6bB1 SER 100 HB2 -0.03 0.15 -0.07 -0.04 3.95 3.97 2f6bB1 SER 100 HB3 -0.10 -0.06 0.03 -0.04 3.93 3.75 2f6bB1 TRP 101 H -0.32 0.32 0.25 -0.55 7.97 7.67 2f6bB1 TRP 101 HA 0.52 0.27 0.91 -0.75 4.62 5.56 2f6bB1 TRP 101 HB2 0.35 -0.02 0.13 -0.04 3.23 3.65 2f6bB1 TRP 101 HB3 0.24 -0.00 -0.12 -0.04 3.23 3.31 2f6bB1 TRP 101 HD1 0.15 -0.05 -0.83 -0.04 7.22 6.45 2f6bB1 TRP 101 HE1 0.03 0.00 -0.22 -0.04 10.20 9.96 2f6bB1 TRP 101 HE3 0.06 -0.08 -0.45 -0.04 7.59 7.08 2f6bB1 TRP 101 HZ2 -0.02 0.01 -0.04 -0.04 7.44 7.35 2f6bB1 TRP 101 HZ3 -0.02 0.07 -0.28 -0.04 7.13 6.87 2f6bB1 TRP 101 HH2 -0.03 0.17 -0.35 -0.04 7.19 6.94 2f6bB1 GLY 102 H 0.60 0.11 0.29 -0.55 8.43 8.88 2f6bB1 GLY 102 HA2 0.15 0.13 0.61 -0.51 4.01 4.39 2f6bB1 GLY 102 HA3 0.28 0.25 0.60 -0.51 4.01 4.63 2f6bB1 ASN 103 H 0.29 0.13 0.02 -0.55 8.53 8.42 2f6bB1 ASN 103 HA 0.26 0.26 0.68 -0.75 4.76 5.21 2f6bB1 ASN 103 HB2 0.17 0.02 0.09 -0.04 2.88 3.12 2f6bB1 ASN 103 HB3 0.14 0.01 0.03 -0.04 2.79 2.93 2f6bB1 ASN 103 HD21 0.15 -0.00 -0.10 -0.04 7.03 7.03 2f6bB1 ASN 103 HD22 0.25 0.07 -0.47 -0.04 7.74 7.55 2f6bB1 TRP 104 H 0.54 0.02 -0.15 -0.55 7.97 7.83 2f6bB1 TRP 104 HA 0.05 0.19 0.87 -0.75 4.62 4.98 2f6bB1 TRP 104 HB2 0.04 0.01 -0.14 -0.04 3.23 3.10 2f6bB1 TRP 104 HB3 0.08 -0.08 0.02 -0.04 3.23 3.20 2f6bB1 TRP 104 HD1 -0.05 0.01 -0.01 -0.04 7.22 7.12 2f6bB1 TRP 104 HE1 -0.13 -0.01 -0.06 -0.04 10.20 9.96 2f6bB1 TRP 104 HE3 0.07 -0.07 -0.19 -0.04 7.59 7.36 2f6bB1 TRP 104 HZ2 -0.23 0.07 -0.24 -0.04 7.44 7.00 2f6bB1 TRP 104 HZ3 -0.08 -0.02 -0.15 -0.04 7.13 6.84 2f6bB1 TRP 104 HH2 -0.31 0.14 -0.27 -0.04 7.19 6.71 2f6bB1 ARG 105 H -0.52 0.18 0.04 -0.55 8.46 7.59 2f6bB1 ARG 105 HA -1.90 0.11 0.54 -0.75 4.34 2.34 2f6bB1 ARG 105 HB2 -0.89 0.00 0.02 -0.04 1.90 1.00 2f6bB1 ARG 105 HB3 -0.73 -0.05 0.14 -0.04 1.80 1.11 2f6bB1 ARG 105 HG2 -0.96 0.12 -0.19 -0.04 1.67 0.60 2f6bB1 ARG 105 HG3 -2.07 0.01 -0.05 -0.04 1.67 -0.48 2f6bB1 ARG 105 HD2 -0.32 0.01 -0.01 -0.04 3.22 2.87 2f6bB1 ARG 105 HD3 -0.34 -0.08 -0.01 -0.04 3.22 2.75 2f6bB1 PRO 106 HA -2.06 0.05 0.29 -0.51 4.44 2.22 2f6bB1 PRO 106 HB2 -1.43 0.03 -0.07 -0.04 2.28 0.77 2f6bB1 PRO 106 HB3 -0.77 0.02 -0.03 -0.04 2.02 1.20 2f6bB1 PRO 106 HG2 -0.64 0.02 -0.10 -0.04 2.03 1.26 2f6bB1 PRO 106 HG3 -0.91 0.01 -0.03 -0.04 2.03 1.06 2f6bB1 PRO 106 HD2 -1.10 0.09 0.12 -0.04 3.68 2.76 2f6bB1 PRO 106 HD3 -0.54 0.29 0.23 -0.04 3.65 3.59 2f6bB1 PRO 107 HA -1.13 0.05 0.20 -0.51 4.44 3.04 2f6bB1 PRO 107 HB2 -1.04 0.07 -0.06 -0.04 2.28 1.21 2f6bB1 PRO 107 HB3 -2.99 0.01 -0.08 -0.04 2.02 -1.07 2f6bB1 PRO 107 HG2 -1.21 0.03 -0.25 -0.04 2.03 0.56 2f6bB1 PRO 107 HG3 -2.41 0.01 -0.21 -0.04 2.03 -0.62 2f6bB1 PRO 107 HD2 -1.77 0.00 0.01 -0.04 3.68 1.89 2f6bB1 PRO 107 HD3 -1.90 0.17 0.07 -0.04 3.65 1.95 2f6bB1 GLY 108 H -0.94 0.23 -0.26 -0.55 8.43 6.92 2f6bB1 GLY 108 HA2 -0.28 0.06 0.29 -0.51 4.01 3.57 2f6bB1 GLY 108 HA3 0.05 0.02 0.41 -0.51 4.01 3.98 2f6bB1 ALA 109 H -0.31 0.21 -0.05 -0.55 8.40 7.70 2f6bB1 ALA 109 HA -0.05 0.12 0.36 -0.75 4.34 4.03 2f6bB1 ALA 109 HB3 -0.07 0.01 -0.05 -0.04 1.41 1.26 2f6bB1 THR 110 H 0.05 0.15 0.11 -0.55 8.28 8.05 2f6bB1 THR 110 HA 0.04 0.22 0.86 -0.75 4.39 4.76 2f6bB1 THR 110 HB 0.01 -0.05 0.15 -0.04 4.32 4.38 2f6bB1 THR 110 HG23 -0.02 0.01 -0.08 -0.04 1.22 1.09 2f6bB1 PRO 111 HA -0.92 0.23 0.49 -0.51 4.44 3.72 2f6bB1 PRO 111 HB2 -0.23 -0.07 0.05 -0.04 2.28 1.99 2f6bB1 PRO 111 HB3 -0.50 0.01 0.15 -0.04 2.02 1.63 2f6bB1 PRO 111 HG2 -0.09 0.00 0.11 -0.04 2.03 2.01 2f6bB1 PRO 111 HG3 -0.09 0.04 0.11 -0.04 2.03 2.04 2f6bB1 PRO 111 HD2 -0.02 0.04 0.27 -0.04 3.68 3.93 2f6bB1 PRO 111 HD3 0.07 0.25 0.26 -0.04 3.65 4.18 2f6bB1 LYS 112 H -0.28 0.77 0.42 -0.55 8.42 8.77 2f6bB1 LYS 112 HA -0.07 0.17 0.84 -0.75 4.32 4.51 2f6bB1 LYS 112 HB2 -0.08 -0.00 -0.00 -0.04 1.87 1.75 2f6bB1 LYS 112 HB3 -0.05 -0.01 0.02 -0.04 1.79 1.71 2f6bB1 LYS 112 HG2 -0.03 -0.00 0.10 -0.04 1.46 1.48 2f6bB1 LYS 112 HG3 -0.04 0.07 0.01 -0.04 1.46 1.46 2f6bB1 LYS 112 HD2 -0.01 -0.01 0.02 -0.04 1.69 1.65 2f6bB1 LYS 112 HD3 -0.01 -0.11 -0.00 -0.04 1.68 1.52 2f6bB1 LYS 112 HE2 -0.04 -0.04 -0.07 -0.04 2.99 2.79 2f6bB1 LYS 112 HE3 -0.04 0.00 -0.06 -0.04 2.99 2.84 2f6bB1 GLY 113 H -0.13 0.11 -0.04 -0.55 8.43 7.82 2f6bB1 GLY 113 HA2 -0.03 0.03 0.42 -0.51 4.01 3.92 2f6bB1 GLY 113 HA3 -0.01 0.17 0.33 -0.51 4.01 3.99 2f6bB1 THR 114 H 0.01 0.27 0.20 -0.55 8.28 8.21 2f6bB1 THR 114 HA 0.06 0.34 1.15 -0.75 4.39 5.19 2f6bB1 THR 114 HB 0.06 0.04 -0.04 -0.04 4.32 4.34 2f6bB1 THR 114 HG23 -0.00 -0.02 -0.16 -0.04 1.22 1.00 2f6bB1 ILE 115 H 0.14 0.41 0.20 -0.55 8.25 8.46 2f6bB1 ILE 115 HA 0.01 0.17 0.80 -0.75 4.18 4.41 2f6bB1 ILE 115 HB -0.04 0.05 0.01 -0.04 1.89 1.87 2f6bB1 ILE 115 HG12 -0.22 -0.10 -0.53 -0.04 1.49 0.60 2f6bB1 ILE 115 HG13 -0.11 0.06 -0.10 -0.04 1.21 1.01 2f6bB1 ILE 115 HG23 0.07 -0.01 0.00 -0.04 0.93 0.95 2f6bB1 ILE 115 HD13 -0.39 -0.02 -0.21 -0.04 0.88 0.21 2f6bB1 THR 116 H 0.01 0.19 0.09 -0.55 8.28 8.01 2f6bB1 THR 116 HA 0.13 0.32 1.43 -0.75 4.39 5.51 2f6bB1 THR 116 HB 0.08 0.14 0.07 -0.04 4.32 4.56 2f6bB1 THR 116 HG23 0.04 -0.00 -0.07 -0.04 1.22 1.14 2f6bB1 VAL 117 H 0.14 0.78 0.28 -0.55 8.24 8.89 2f6bB1 VAL 117 HA -0.03 0.08 0.74 -0.75 4.13 4.17 2f6bB1 VAL 117 HB -0.23 0.09 -0.43 -0.04 2.12 1.51 2f6bB1 VAL 117 HG13 -0.42 0.02 -0.26 -0.04 0.97 0.27 2f6bB1 VAL 117 HG23 -0.18 -0.01 0.02 -0.04 0.95 0.74 2f6bB1 ASP 118 H 0.00 0.15 0.16 -0.55 8.40 8.16 2f6bB1 ASP 118 HA 0.05 0.02 0.38 -0.75 4.63 4.32 2f6bB1 ASP 118 HB2 0.19 0.11 -0.09 -0.04 2.71 2.87 2f6bB1 ASP 118 HB3 0.12 0.11 0.28 -0.04 2.70 3.17 2f6bB1 GLY 119 H 0.06 0.04 -0.30 -0.55 8.43 7.68 2f6bB1 GLY 119 HA2 0.05 -0.01 0.25 -0.51 4.01 3.79 2f6bB1 GLY 119 HA3 0.06 0.09 0.19 -0.51 4.01 3.84 2f6bB1 GLY 120 H 0.15 0.39 -0.33 -0.55 8.43 8.09 2f6bB1 GLY 120 HA2 0.06 0.13 0.78 -0.51 4.01 4.47 2f6bB1 GLY 120 HA3 0.08 0.08 0.27 -0.51 4.01 3.93 2f6bB1 THR 121 H 0.01 0.18 0.25 -0.55 8.28 8.17 2f6bB1 THR 121 HA 0.19 0.23 1.14 -0.75 4.39 5.19 2f6bB1 THR 121 HB 0.04 -0.04 0.14 -0.04 4.32 4.43 2f6bB1 THR 121 HG23 0.07 0.01 -0.16 -0.04 1.22 1.10 2f6bB1 TYR 122 H 0.36 0.70 0.33 -0.55 8.29 9.12 2f6bB1 TYR 122 HA 0.15 0.30 1.04 -0.75 4.56 5.30 2f6bB1 TYR 122 HB2 0.22 -0.04 0.08 -0.04 3.06 3.28 2f6bB1 TYR 122 HB3 0.25 -0.00 -0.17 -0.04 2.98 3.02 2f6bB1 TYR 122 HD2 0.18 -0.01 -0.44 -0.04 7.15 6.84 2f6bB1 TYR 122 HE2 0.14 0.10 -0.21 -0.04 6.85 6.83 2f6bB1 ASP 123 H 0.16 0.54 0.26 -0.55 8.40 8.82 2f6bB1 ASP 123 HA -0.01 0.16 0.93 -0.75 4.63 4.96 2f6bB1 ASP 123 HB2 0.17 0.04 0.12 -0.04 2.71 3.00 2f6bB1 ASP 123 HB3 -0.40 0.01 0.11 -0.04 2.70 2.37 2f6bB1 ILE 124 H -0.14 0.69 0.41 -0.55 8.25 8.66 2f6bB1 ILE 124 HA 0.24 0.39 1.02 -0.75 4.18 5.08 2f6bB1 ILE 124 HB 0.03 -0.06 -0.05 -0.04 1.89 1.77 2f6bB1 ILE 124 HG12 0.36 0.01 -0.24 -0.04 1.49 1.58 2f6bB1 ILE 124 HG13 0.14 0.01 -0.35 -0.04 1.21 0.97 2f6bB1 ILE 124 HG23 0.17 0.04 -0.04 -0.04 0.93 1.06 2f6bB1 ILE 124 HD13 0.28 -0.01 -0.27 -0.04 0.88 0.84 2f6bB1 TYR 125 H 0.22 0.49 0.34 -0.55 8.29 8.80 2f6bB1 TYR 125 HA -0.01 0.19 0.92 -0.75 4.56 4.91 2f6bB1 TYR 125 HB2 0.02 -0.08 -0.11 -0.04 3.06 2.85 2f6bB1 TYR 125 HB3 -0.14 0.04 -0.15 -0.04 2.98 2.69 2f6bB1 TYR 125 HD2 -0.07 0.00 -0.47 -0.04 7.15 6.58 2f6bB1 TYR 125 HE2 -0.14 0.14 -0.19 -0.04 6.85 6.62 2f6bB1 GLU 126 H 0.12 0.29 0.17 -0.55 8.60 8.65 2f6bB1 GLU 126 HA 0.24 0.39 0.94 -0.75 4.29 5.10 2f6bB1 GLU 126 HB2 0.02 0.02 0.03 -0.04 2.09 2.12 2f6bB1 GLU 126 HB3 0.06 -0.02 0.13 -0.04 1.99 2.11 2f6bB1 GLU 126 HG2 0.11 -0.05 -0.21 -0.04 2.34 2.15 2f6bB1 GLU 126 HG3 0.23 0.05 0.09 -0.04 2.34 2.66 2f6bB1 THR 127 H 0.22 0.49 0.33 -0.55 8.28 8.78 2f6bB1 THR 127 HA 0.06 0.21 0.89 -0.75 4.39 4.80 2f6bB1 THR 127 HB 0.06 0.03 0.10 -0.04 4.32 4.47 2f6bB1 THR 127 HG23 -0.04 0.01 -0.25 -0.04 1.22 0.89 2f6bB1 LEU 128 H 0.01 0.21 0.17 -0.55 8.37 8.22 2f6bB1 LEU 128 HA -0.04 0.16 0.83 -0.75 4.35 4.54 2f6bB1 LEU 128 HB2 -0.00 -0.00 -0.03 -0.04 1.64 1.57 2f6bB1 LEU 128 HB3 -0.02 -0.00 0.05 -0.04 1.64 1.63 2f6bB1 LEU 128 HG -0.06 -0.01 -0.20 -0.04 1.64 1.34 2f6bB1 LEU 128 HD13 -0.02 0.02 -0.13 -0.04 0.93 0.76 2f6bB1 LEU 128 HD23 -0.01 -0.00 -0.07 -0.04 0.89 0.77 2f6bB1 ARG 129 H -0.27 0.79 0.31 -0.55 8.46 8.74 2f6bB1 ARG 129 HA -0.17 0.14 0.85 -0.75 4.34 4.41 2f6bB1 ARG 129 HB2 -1.13 0.07 0.05 -0.04 1.90 0.85 2f6bB1 ARG 129 HB3 -0.48 -0.01 -0.02 -0.04 1.80 1.25 2f6bB1 ARG 129 HG2 -0.09 0.09 -0.56 -0.04 1.67 1.07 2f6bB1 ARG 129 HG3 -0.10 -0.03 -0.22 -0.04 1.67 1.28 2f6bB1 ARG 129 HD2 -0.03 0.01 0.02 -0.04 3.22 3.18 2f6bB1 ARG 129 HD3 0.06 -0.01 -0.08 -0.04 3.22 3.16 2f6bB1 VAL 130 H -0.10 0.24 0.03 -0.55 8.24 7.86 2f6bB1 VAL 130 HA -0.07 0.06 0.80 -0.75 4.13 4.16 2f6bB1 VAL 130 HB -0.03 0.03 0.10 -0.04 2.12 2.18 2f6bB1 VAL 130 HG13 -0.01 0.00 -0.13 -0.04 0.97 0.79 2f6bB1 VAL 130 HG23 -0.04 0.01 -0.15 -0.04 0.95 0.73 2f6bB1 ASN 131 H -0.00 0.10 0.09 -0.55 8.53 8.17 2f6bB1 ASN 131 HA 0.05 -0.01 0.11 -0.75 4.76 4.15 2f6bB1 ASN 131 HB2 0.01 0.10 -0.15 -0.04 2.88 2.80 2f6bB1 ASN 131 HB3 0.02 -0.01 0.11 -0.04 2.79 2.87 2f6bB1 ASN 131 HD21 0.01 -0.01 -0.06 -0.04 7.03 6.93 2f6bB1 ASN 131 HD22 0.01 0.03 -0.11 -0.04 7.74 7.63 2f6bB1 GLN 132 H 0.11 0.53 0.07 -0.55 8.47 8.63 2f6bB1 GLN 132 HA 0.09 0.19 0.75 -0.75 4.36 4.64 2f6bB1 GLN 132 HB2 0.09 -0.03 -0.13 -0.04 2.15 2.04 2f6bB1 GLN 132 HB3 0.19 0.10 -0.03 -0.04 2.02 2.24 2f6bB1 GLN 132 HG2 -0.05 -0.09 -0.49 -0.04 2.40 1.73 2f6bB1 GLN 132 HG3 -0.03 -0.04 -0.11 -0.04 2.39 2.18 2f6bB1 GLN 132 HE21 0.08 -0.03 0.01 -0.04 6.97 6.99 2f6bB1 GLN 132 HE22 0.11 -0.02 -0.02 -0.04 7.69 7.73 2f6bB1 PRO 133 HA 0.02 0.03 0.44 -0.51 4.44 4.42 2f6bB1 PRO 133 HB2 0.00 0.01 -0.04 -0.04 2.28 2.21 2f6bB1 PRO 133 HB3 0.01 0.02 0.02 -0.04 2.02 2.03 2f6bB1 PRO 133 HG2 0.12 0.02 0.04 -0.04 2.03 2.17 2f6bB1 PRO 133 HG3 0.08 0.04 0.04 -0.04 2.03 2.14 2f6bB1 PRO 133 HD2 0.14 0.09 0.16 -0.04 3.68 4.03 2f6bB1 PRO 133 HD3 0.10 0.18 0.19 -0.04 3.65 4.07 2f6bB1 SER 134 H -0.13 0.29 0.10 -0.55 8.46 8.17 2f6bB1 SER 134 HA -0.25 0.13 0.47 -0.75 4.49 4.09 2f6bB1 SER 134 HB2 -0.90 -0.05 0.02 -0.04 3.95 2.99 2f6bB1 SER 134 HB3 -0.13 0.13 -0.33 -0.04 3.93 3.56 2f6bB1 ILE 135 H -1.57 0.17 0.04 -0.55 8.25 6.34 2f6bB1 ILE 135 HA -0.58 0.13 0.50 -0.75 4.18 3.47 2f6bB1 ILE 135 HB -1.02 0.05 0.02 -0.04 1.89 0.89 2f6bB1 ILE 135 HG12 -3.16 0.01 -0.01 -0.04 1.49 -1.71 2f6bB1 ILE 135 HG13 -1.30 -0.06 -0.02 -0.04 1.21 -0.22 2f6bB1 ILE 135 HG23 -1.09 0.01 -0.06 -0.04 0.93 -0.26 2f6bB1 ILE 135 HD13 -1.38 0.01 -0.13 -0.04 0.88 -0.65 2f6bB1 LYS 136 H -0.55 0.07 -0.42 -0.55 8.42 6.96 2f6bB1 LYS 136 HA -0.26 0.22 0.75 -0.75 4.32 4.28 2f6bB1 LYS 136 HB2 -0.30 -0.03 0.01 -0.04 1.87 1.51 2f6bB1 LYS 136 HB3 -0.18 0.03 0.13 -0.04 1.79 1.72 2f6bB1 LYS 136 HG2 -0.45 -0.04 -0.34 -0.04 1.46 0.60 2f6bB1 LYS 136 HG3 -0.29 -0.05 -0.06 -0.04 1.46 1.02 2f6bB1 LYS 136 HD2 -0.15 -0.02 -0.03 -0.04 1.69 1.44 2f6bB1 LYS 136 HD3 -0.15 0.01 -0.00 -0.04 1.68 1.49 2f6bB1 LYS 136 HE2 -0.12 -0.00 -0.02 -0.04 2.99 2.80 2f6bB1 LYS 136 HE3 -0.23 0.13 -0.07 -0.04 2.99 2.78 2f6bB1 GLY 137 H -0.22 0.24 -0.39 -0.55 8.43 7.51 2f6bB1 GLY 137 HA2 -0.09 0.02 0.24 -0.51 4.01 3.67 2f6bB1 GLY 137 HA3 -0.08 0.15 0.52 -0.51 4.01 4.09 2f6bB1 ILE 138 H -0.02 0.09 0.08 -0.55 8.25 7.85 2f6bB1 ILE 138 HA 0.04 0.29 0.51 -0.75 4.18 4.27 2f6bB1 ILE 138 HB 0.01 -0.03 0.06 -0.04 1.89 1.90 2f6bB1 ILE 138 HG12 0.01 -0.08 0.02 -0.04 1.49 1.39 2f6bB1 ILE 138 HG13 0.02 0.02 -0.04 -0.04 1.21 1.17 2f6bB1 ILE 138 HG23 0.04 -0.00 -0.35 -0.04 0.93 0.58 2f6bB1 ILE 138 HD13 0.04 0.00 -0.18 -0.04 0.88 0.70 2f6bB1 ALA 139 H 0.15 0.58 0.20 -0.55 8.40 8.78 2f6bB1 ALA 139 HA 0.07 0.13 0.62 -0.75 4.34 4.40 2f6bB1 ALA 139 HB3 0.07 0.03 -0.15 -0.04 1.41 1.32 2f6bB1 THR 140 H 0.10 0.21 0.17 -0.55 8.28 8.22 2f6bB1 THR 140 HA -0.00 0.29 1.10 -0.75 4.39 5.02 2f6bB1 THR 140 HB 0.04 -0.01 0.19 -0.04 4.32 4.50 2f6bB1 THR 140 HG23 0.01 0.02 -0.06 -0.04 1.22 1.15 2f6bB1 PHE 141 H -0.30 0.73 0.34 -0.55 8.34 8.55 2f6bB1 PHE 141 HA 0.01 0.12 0.77 -0.75 4.62 4.77 2f6bB1 PHE 141 HB2 0.05 0.15 -0.07 -0.04 3.15 3.24 2f6bB1 PHE 141 HB3 0.06 -0.02 -0.32 -0.04 3.06 2.74 2f6bB1 PHE 141 HD2 0.02 0.06 -0.41 -0.04 7.28 6.90 2f6bB1 PHE 141 HE2 0.02 0.05 -0.23 -0.04 7.38 7.18 2f6bB1 PHE 141 HZ 0.24 0.10 -0.12 -0.04 7.32 7.50 2f6bB1 LYS 142 H 0.13 0.30 0.25 -0.55 8.42 8.54 2f6bB1 LYS 142 HA -0.03 0.21 0.95 -0.75 4.32 4.70 2f6bB1 LYS 142 HB2 -0.12 -0.01 0.01 -0.04 1.87 1.72 2f6bB1 LYS 142 HB3 0.07 0.09 0.15 -0.04 1.79 2.05 2f6bB1 LYS 142 HG2 0.04 -0.06 -0.08 -0.04 1.46 1.32 2f6bB1 LYS 142 HG3 0.05 0.01 0.07 -0.04 1.46 1.56 2f6bB1 LYS 142 HD2 0.17 0.03 -0.02 -0.04 1.69 1.83 2f6bB1 LYS 142 HD3 0.12 0.03 -0.03 -0.04 1.68 1.76 2f6bB1 LYS 142 HE2 0.05 -0.04 -0.05 -0.04 2.99 2.91 2f6bB1 LYS 142 HE3 0.07 -0.01 -0.02 -0.04 2.99 2.99 2f6bB1 GLN 143 H 0.03 0.66 0.37 -0.55 8.47 8.99 2f6bB1 GLN 143 HA -0.28 0.43 1.01 -0.75 4.36 4.77 2f6bB1 GLN 143 HB2 0.32 -0.12 0.03 -0.04 2.15 2.33 2f6bB1 GLN 143 HB3 -0.20 0.04 -0.09 -0.04 2.02 1.72 2f6bB1 GLN 143 HG2 0.02 0.03 -0.17 -0.04 2.40 2.25 2f6bB1 GLN 143 HG3 0.04 -0.02 -0.35 -0.04 2.39 2.02 2f6bB1 GLN 143 HE21 0.38 -0.01 -0.15 -0.04 6.97 7.14 2f6bB1 GLN 143 HE22 0.20 -0.01 -0.16 -0.04 7.69 7.68 2f6bB1 TYR 144 H -0.47 0.44 0.27 -0.55 8.29 7.98 2f6bB1 TYR 144 HA -0.34 0.33 1.12 -0.75 4.56 4.92 2f6bB1 TYR 144 HB2 -1.17 -0.11 0.05 -0.04 3.06 1.80 2f6bB1 TYR 144 HB3 -1.92 0.04 -0.00 -0.04 2.98 1.06 2f6bB1 TYR 144 HD2 -0.20 0.05 -0.20 -0.04 7.15 6.76 2f6bB1 TYR 144 HE2 -0.03 0.01 -0.25 -0.04 6.85 6.54 2f6bB1 TRP 145 H 0.12 0.62 0.31 -0.55 7.97 8.47 2f6bB1 TRP 145 HA 0.10 0.28 1.08 -0.75 4.62 5.32 2f6bB1 TRP 145 HB2 0.14 -0.08 -0.02 -0.04 3.23 3.24 2f6bB1 TRP 145 HB3 0.01 0.04 -0.19 -0.04 3.23 3.05 2f6bB1 TRP 145 HD1 -0.03 0.10 -0.48 -0.04 7.22 6.77 2f6bB1 TRP 145 HE1 -0.08 -0.01 -0.23 -0.04 10.20 9.84 2f6bB1 TRP 145 HE3 -0.29 0.04 -0.21 -0.04 7.59 7.09 2f6bB1 TRP 145 HZ2 -0.21 0.02 -0.16 -0.04 7.44 7.05 2f6bB1 TRP 145 HZ3 -1.05 -0.01 -0.16 -0.04 7.13 5.88 2f6bB1 TRP 145 HH2 -0.67 -0.00 -0.15 -0.04 7.19 6.33 2f6bB1 SER 146 H 0.53 0.60 0.34 -0.55 8.46 9.38 2f6bB1 SER 146 HA 0.53 0.36 0.61 -0.75 4.49 5.24 2f6bB1 SER 146 HB2 0.25 -0.09 0.20 -0.04 3.95 4.27 2f6bB1 SER 146 HB3 0.38 -0.02 -0.03 -0.04 3.93 4.23 2f6bB1 VAL 147 H 0.42 0.65 0.15 -0.55 8.24 8.92 2f6bB1 VAL 147 HA 0.26 0.13 1.06 -0.75 4.13 4.82 2f6bB1 VAL 147 HB 0.11 -0.04 0.06 -0.04 2.12 2.20 2f6bB1 VAL 147 HG13 -0.38 0.09 -0.14 -0.04 0.97 0.49 2f6bB1 VAL 147 HG23 -0.08 0.02 -0.34 -0.04 0.95 0.51 2f6bB1 ARG 148 H 0.14 0.50 0.23 -0.55 8.46 8.77 2f6bB1 ARG 148 HA -0.67 0.02 0.41 -0.75 4.34 3.34 2f6bB1 ARG 148 HB2 -0.25 0.07 0.24 -0.04 1.90 1.92 2f6bB1 ARG 148 HB3 0.07 0.13 0.02 -0.04 1.80 1.98 2f6bB1 ARG 148 HG2 -0.24 -0.16 0.13 -0.04 1.67 1.36 2f6bB1 ARG 148 HG3 -1.08 -0.10 -0.02 -0.04 1.67 0.43 2f6bB1 ARG 148 HD2 -0.00 -0.04 0.12 -0.04 3.22 3.25 2f6bB1 ARG 148 HD3 -0.03 0.38 0.11 -0.04 3.22 3.63 2f6bB1 ARG 149 H -0.09 0.55 0.45 -0.55 8.46 8.81 2f6bB1 ARG 149 HA 0.08 0.10 0.61 -0.75 4.34 4.38 2f6bB1 ARG 149 HB2 0.02 -0.04 0.28 -0.04 1.90 2.12 2f6bB1 ARG 149 HB3 0.05 -0.03 0.06 -0.04 1.80 1.84 2f6bB1 ARG 149 HG2 0.03 0.02 0.09 -0.04 1.67 1.77 2f6bB1 ARG 149 HG3 0.03 0.03 0.03 -0.04 1.67 1.71 2f6bB1 ARG 149 HD2 0.03 -0.05 0.01 -0.04 3.22 3.17 2f6bB1 ARG 149 HD3 0.03 -0.00 0.02 -0.04 3.22 3.22 2f6bB1 SER 150 H 0.04 0.08 0.07 -0.55 8.46 8.10 2f6bB1 SER 150 HA 0.14 0.20 0.80 -0.75 4.49 4.88 2f6bB1 SER 150 HB2 0.00 -0.01 0.15 -0.04 3.95 4.06 2f6bB1 SER 150 HB3 0.05 -0.01 0.01 -0.04 3.93 3.94 2f6bB1 LYS 151 H -0.20 0.07 0.16 -0.55 8.42 7.89 2f6bB1 LYS 151 HA -0.36 0.27 0.56 -0.75 4.32 4.03 2f6bB1 LYS 151 HB2 -0.26 -0.04 0.18 -0.04 1.87 1.71 2f6bB1 LYS 151 HB3 -0.29 -0.01 0.12 -0.04 1.79 1.56 2f6bB1 LYS 151 HG2 -1.79 -0.00 0.11 -0.04 1.46 -0.27 2f6bB1 LYS 151 HG3 -0.84 -0.02 0.12 -0.04 1.46 0.68 2f6bB1 LYS 151 HD2 -0.36 -0.04 0.11 -0.04 1.69 1.36 2f6bB1 LYS 151 HD3 -0.60 -0.05 0.19 -0.04 1.68 1.18 2f6bB1 LYS 151 HE2 -2.10 -0.06 -0.01 -0.04 2.99 0.78 2f6bB1 LYS 151 HE3 -0.51 -0.07 0.04 -0.04 2.99 2.41 2f6bB1 ARG 152 H -0.05 0.64 0.34 -0.55 8.46 8.84 2f6bB1 ARG 152 HA -0.00 0.01 0.48 -0.75 4.34 4.07 2f6bB1 ARG 152 HB2 0.02 0.03 0.23 -0.04 1.90 2.14 2f6bB1 ARG 152 HB3 0.03 0.09 -0.03 -0.04 1.80 1.85 2f6bB1 ARG 152 HG2 0.14 -0.07 -0.20 -0.04 1.67 1.50 2f6bB1 ARG 152 HG3 0.03 -0.08 0.09 -0.04 1.67 1.67 2f6bB1 ARG 152 HD2 0.06 0.03 0.11 -0.04 3.22 3.38 2f6bB1 ARG 152 HD3 0.08 0.02 0.03 -0.04 3.22 3.32 2f6bB1 THR 153 H 0.02 0.15 0.15 -0.55 8.28 8.04 2f6bB1 THR 153 HA 0.18 0.20 0.85 -0.75 4.39 4.87 2f6bB1 THR 153 HB 0.10 0.01 0.24 -0.04 4.32 4.63 2f6bB1 THR 153 HG23 0.12 -0.00 -0.18 -0.04 1.22 1.12 2f6bB1 SER 154 H -0.10 0.26 0.11 -0.55 8.46 8.19 2f6bB1 SER 154 HA -1.10 0.19 0.34 -0.75 4.49 3.16 2f6bB1 SER 154 HB2 -0.21 0.03 0.24 -0.04 3.95 3.97 2f6bB1 SER 154 HB3 -0.17 -0.01 0.28 -0.04 3.93 3.98 2f6bB1 GLY 155 H -0.44 0.51 0.35 -0.55 8.43 8.29 2f6bB1 GLY 155 HA2 -0.07 0.00 0.40 -0.51 4.01 3.83 2f6bB1 GLY 155 HA3 -0.04 0.23 0.77 -0.51 4.01 4.46 2f6bB1 THR 156 H 0.06 0.19 0.19 -0.55 8.28 8.17 2f6bB1 THR 156 HA 0.12 0.41 1.15 -0.75 4.39 5.32 2f6bB1 THR 156 HB 0.05 -0.04 0.11 -0.04 4.32 4.40 2f6bB1 THR 156 HG23 0.04 -0.03 -0.19 -0.04 1.22 1.00 2f6bB1 ILE 157 H 0.13 0.68 0.32 -0.55 8.25 8.84 2f6bB1 ILE 157 HA 0.11 0.26 0.94 -0.75 4.18 4.74 2f6bB1 ILE 157 HB 0.06 -0.02 0.14 -0.04 1.89 2.02 2f6bB1 ILE 157 HG12 0.17 0.07 -0.08 -0.04 1.49 1.61 2f6bB1 ILE 157 HG13 0.27 0.02 -0.45 -0.04 1.21 1.01 2f6bB1 ILE 157 HG23 -0.03 -0.03 -0.19 -0.04 0.93 0.64 2f6bB1 ILE 157 HD13 -0.07 0.01 -0.12 -0.04 0.88 0.65 2f6bB1 SER 158 H 0.01 0.26 -0.07 -0.55 8.46 8.11 2f6bB1 SER 158 HA -0.06 0.14 0.72 -0.75 4.49 4.54 2f6bB1 SER 158 HB2 -0.15 -0.01 0.20 -0.04 3.95 3.95 2f6bB1 SER 158 HB3 -0.11 0.01 0.12 -0.04 3.93 3.90 2f6bB1 VAL 159 H -0.11 0.42 0.07 -0.55 8.24 8.06 2f6bB1 VAL 159 HA -0.31 0.03 0.16 -0.75 4.13 3.26 2f6bB1 VAL 159 HB -0.27 0.08 -0.01 -0.04 2.12 1.89 2f6bB1 VAL 159 HG13 -0.71 0.00 -0.15 -0.04 0.97 0.07 2f6bB1 VAL 159 HG23 -0.06 0.03 -0.08 -0.04 0.95 0.80 2f6bB1 SER 160 H -0.28 0.34 -0.12 -0.55 8.46 7.85 2f6bB1 SER 160 HA -0.66 0.05 0.22 -0.75 4.49 3.35 2f6bB1 SER 160 HB2 -0.12 0.02 0.07 -0.04 3.95 3.88 2f6bB1 SER 160 HB3 -0.04 0.05 0.04 -0.04 3.93 3.94 2f6bB1 ASN 161 H -0.27 0.24 -0.24 -0.55 8.53 7.72 2f6bB1 ASN 161 HA -0.21 0.05 0.46 -0.75 4.76 4.30 2f6bB1 ASN 161 HB2 -0.32 0.21 0.14 -0.04 2.88 2.88 2f6bB1 ASN 161 HB3 -0.35 0.02 -0.03 -0.04 2.79 2.39 2f6bB1 ASN 161 HD21 -0.10 0.01 0.03 -0.04 7.03 6.93 2f6bB1 ASN 161 HD22 -0.16 -0.03 0.04 -0.04 7.74 7.56 2f6bB1 HIS 162 H -0.46 0.37 -0.25 -0.55 8.41 7.52 2f6bB1 HIS 162 HA -0.56 0.05 0.29 -0.75 4.63 3.65 2f6bB1 HIS 162 HB2 -0.83 0.17 0.08 -0.04 3.26 2.64 2f6bB1 HIS 162 HB3 -1.19 0.01 -0.09 -0.04 3.20 1.90 2f6bB1 HIS 162 HD2 -0.36 -0.01 -0.30 -0.04 6.97 6.26 2f6bB1 HIS 162 HE1 -1.53 0.04 -0.15 -0.04 7.75 6.06 2f6bB1 PHE 163 H -0.70 0.33 -0.15 -0.55 8.34 7.26 2f6bB1 PHE 163 HA -0.67 0.05 0.27 -0.75 4.62 3.52 2f6bB1 PHE 163 HB2 -0.73 0.06 0.13 -0.04 3.15 2.57 2f6bB1 PHE 163 HB3 -0.98 -0.03 -0.04 -0.04 3.06 1.97 2f6bB1 PHE 163 HD2 -0.96 -0.05 -0.13 -0.04 7.28 6.10 2f6bB1 PHE 163 HE2 -0.44 0.01 -0.16 -0.04 7.38 6.74 2f6bB1 PHE 163 HZ -0.30 0.02 -0.16 -0.04 7.32 6.84 2f6bB1 ARG 164 H -0.13 0.61 -0.04 -0.55 8.46 8.35 2f6bB1 ARG 164 HA 0.07 -0.03 0.36 -0.75 4.34 3.99 2f6bB1 ARG 164 HB2 -0.10 0.11 0.12 -0.04 1.90 2.00 2f6bB1 ARG 164 HB3 -0.03 -0.01 -0.05 -0.04 1.80 1.68 2f6bB1 ARG 164 HG2 0.10 -0.05 0.03 -0.04 1.67 1.70 2f6bB1 ARG 164 HG3 0.04 0.08 0.02 -0.04 1.67 1.77 2f6bB1 ARG 164 HD2 -0.02 0.02 -0.02 -0.04 3.22 3.16 2f6bB1 ARG 164 HD3 0.01 -0.02 -0.03 -0.04 3.22 3.14 2f6bB1 ALA 165 H -0.21 0.44 -0.37 -0.55 8.40 7.72 2f6bB1 ALA 165 HA -0.03 -0.00 0.36 -0.75 4.34 3.91 2f6bB1 ALA 165 HB3 -0.14 0.02 0.05 -0.04 1.41 1.30 2f6bB1 TRP 166 H -0.19 0.60 -0.05 -0.55 7.97 7.78 2f6bB1 TRP 166 HA -0.10 0.01 0.37 -0.75 4.62 4.13 2f6bB1 TRP 166 HB2 -0.10 0.04 0.14 -0.04 3.23 3.27 2f6bB1 TRP 166 HB3 -0.38 0.02 -0.00 -0.04 3.23 2.83 2f6bB1 TRP 166 HD1 -0.00 -0.03 -0.15 -0.04 7.22 6.99 2f6bB1 TRP 166 HE1 0.16 0.01 -0.18 -0.04 10.20 10.14 2f6bB1 TRP 166 HE3 -0.02 0.03 -0.14 -0.04 7.59 7.41 2f6bB1 TRP 166 HZ2 0.12 0.00 -0.26 -0.04 7.44 7.26 2f6bB1 TRP 166 HZ3 -0.48 -0.04 -0.22 -0.04 7.13 6.34 2f6bB1 TRP 166 HH2 0.24 -0.04 -0.35 -0.04 7.19 7.00 2f6bB1 GLU 167 H 0.12 0.57 -0.03 -0.55 8.60 8.71 2f6bB1 GLU 167 HA 0.05 0.01 0.07 -0.75 4.29 3.67 2f6bB1 GLU 167 HB2 0.07 0.08 0.03 -0.04 2.09 2.24 2f6bB1 GLU 167 HB3 0.07 -0.08 0.00 -0.04 1.99 1.95 2f6bB1 GLU 167 HG2 0.12 0.08 0.06 -0.04 2.34 2.56 2f6bB1 GLU 167 HG3 0.16 0.00 -0.16 -0.04 2.34 2.30 2f6bB1 ASN 168 H 0.04 0.54 -0.30 -0.55 8.53 8.27 2f6bB1 ASN 168 HA 0.02 -0.01 0.44 -0.75 4.76 4.46 2f6bB1 ASN 168 HB2 0.01 0.22 0.18 -0.04 2.88 3.25 2f6bB1 ASN 168 HB3 0.01 0.05 -0.03 -0.04 2.79 2.78 2f6bB1 ASN 168 HD21 0.00 -0.06 0.01 -0.04 7.03 6.94 2f6bB1 ASN 168 HD22 0.01 0.03 0.01 -0.04 7.74 7.74 2f6bB1 LEU 169 H 0.04 0.57 -0.21 -0.55 8.37 8.22 2f6bB1 LEU 169 HA 0.01 0.08 0.75 -0.75 4.35 4.43 2f6bB1 LEU 169 HB2 0.03 0.08 0.09 -0.04 1.64 1.79 2f6bB1 LEU 169 HB3 0.00 -0.03 0.17 -0.04 1.64 1.74 2f6bB1 LEU 169 HG 0.04 0.06 -0.04 -0.04 1.64 1.66 2f6bB1 LEU 169 HD13 0.07 -0.03 -0.16 -0.04 0.93 0.77 2f6bB1 LEU 169 HD23 0.01 0.01 0.03 -0.04 0.89 0.89 2f6bB1 GLY 170 H 0.01 0.39 -0.67 -0.55 8.43 7.61 2f6bB1 GLY 170 HA2 0.01 0.04 0.25 -0.51 4.01 3.80 2f6bB1 GLY 170 HA3 -0.00 0.00 0.36 -0.51 4.01 3.86 2f6bB1 MET 171 H -0.04 0.50 -0.32 -0.55 8.47 8.06 2f6bB1 MET 171 HA -0.11 0.13 0.77 -0.75 4.52 4.55 2f6bB1 MET 171 HB2 -0.28 0.06 -0.06 -0.04 2.15 1.83 2f6bB1 MET 171 HB3 -1.29 -0.06 -0.05 -0.04 2.03 0.59 2f6bB1 MET 171 HG2 -0.33 -0.04 -0.06 -0.04 2.63 2.16 2f6bB1 MET 171 HG3 -0.16 0.12 -0.30 -0.04 2.56 2.19 2f6bB1 MET 171 HE3 -0.85 -0.00 -0.00 -0.04 2.10 1.20 2f6bB1 ASN 172 H 0.06 0.21 -0.16 -0.55 8.53 8.10 2f6bB1 ASN 172 HA 0.08 0.02 0.36 -0.75 4.76 4.46 2f6bB1 ASN 172 HB2 0.07 0.06 -0.01 -0.04 2.88 2.96 2f6bB1 ASN 172 HB3 0.05 0.01 0.00 -0.04 2.79 2.81 2f6bB1 ASN 172 HD21 0.07 -0.03 -0.06 -0.04 7.03 6.97 2f6bB1 ASN 172 HD22 0.09 0.04 -0.28 -0.04 7.74 7.55 2f6bB1 MET 173 H 0.10 0.11 0.16 -0.55 8.47 8.29 2f6bB1 MET 173 HA 0.15 0.11 0.57 -0.75 4.52 4.59 2f6bB1 MET 173 HB2 0.11 -0.08 0.11 -0.04 2.15 2.25 2f6bB1 MET 173 HB3 -0.01 0.05 -0.05 -0.04 2.03 1.98 2f6bB1 MET 173 HG2 0.23 0.12 -0.22 -0.04 2.63 2.72 2f6bB1 MET 173 HG3 0.03 -0.00 -0.05 -0.04 2.56 2.50 2f6bB1 MET 173 HE3 -0.12 -0.01 -0.10 -0.04 2.10 1.83 2f6bB1 GLY 174 H 0.03 0.05 -0.06 -0.55 8.43 7.90 2f6bB1 GLY 174 HA2 0.03 0.21 0.51 -0.51 4.01 4.25 2f6bB1 GLY 174 HA3 0.03 0.20 -0.06 -0.51 4.01 3.67 2f6bB1 LYS 175 H 0.02 0.70 0.16 -0.55 8.42 8.75 2f6bB1 LYS 175 HA -0.00 0.05 0.69 -0.75 4.32 4.30 2f6bB1 LYS 175 HB2 0.03 0.03 -0.26 -0.04 1.87 1.63 2f6bB1 LYS 175 HB3 -0.00 -0.04 -0.49 -0.04 1.79 1.22 2f6bB1 LYS 175 HG2 0.01 -0.04 -0.06 -0.04 1.46 1.33 2f6bB1 LYS 175 HG3 0.01 0.04 -0.03 -0.04 1.46 1.44 2f6bB1 LYS 175 HD2 0.00 0.13 -0.14 -0.04 1.69 1.63 2f6bB1 LYS 175 HD3 -0.01 -0.12 -0.20 -0.04 1.68 1.31 2f6bB1 LYS 175 HE2 -0.00 -0.06 -0.02 -0.04 2.99 2.87 2f6bB1 LYS 175 HE3 0.00 0.03 -0.01 -0.04 2.99 2.98 2f6bB1 MET 176 H -0.04 0.56 0.20 -0.55 8.47 8.64 2f6bB1 MET 176 HA 0.10 0.05 0.23 -0.75 4.52 4.14 2f6bB1 MET 176 HB2 -0.30 0.05 0.06 -0.04 2.15 1.92 2f6bB1 MET 176 HB3 -0.38 -0.02 -0.13 -0.04 2.03 1.47 2f6bB1 MET 176 HG2 -0.05 -0.07 -0.13 -0.04 2.63 2.34 2f6bB1 MET 176 HG3 -0.26 0.01 -0.14 -0.04 2.56 2.13 2f6bB1 MET 176 HE3 -0.26 -0.00 -0.15 -0.04 2.10 1.64 2f6bB1 TYR 177 H 0.33 0.67 0.46 -0.55 8.29 9.20 2f6bB1 TYR 177 HA 0.16 0.21 1.08 -0.75 4.56 5.26 2f6bB1 TYR 177 HB2 0.03 0.00 -0.05 -0.04 3.06 3.00 2f6bB1 TYR 177 HB3 0.12 0.01 -0.09 -0.04 2.98 2.97 2f6bB1 TYR 177 HD2 0.03 -0.00 -0.14 -0.04 7.15 7.00 2f6bB1 TYR 177 HE2 -0.11 0.01 -0.07 -0.04 6.85 6.63 2f6bB1 GLU 178 H 0.39 0.31 0.33 -0.55 8.60 9.08 2f6bB1 GLU 178 HA -0.01 0.25 0.65 -0.75 4.29 4.43 2f6bB1 GLU 178 HB2 -0.06 0.13 -0.07 -0.04 2.09 2.04 2f6bB1 GLU 178 HB3 0.29 -0.19 0.03 -0.04 1.99 2.08 2f6bB1 GLU 178 HG2 0.08 -0.01 -0.30 -0.04 2.34 2.07 2f6bB1 GLU 178 HG3 -0.03 0.17 -0.10 -0.04 2.34 2.34 2f6bB1 VAL 179 H 0.08 0.58 0.28 -0.55 8.24 8.63 2f6bB1 VAL 179 HA 0.22 0.20 0.38 -0.75 4.13 4.17 2f6bB1 VAL 179 HB 0.46 0.00 -0.02 -0.04 2.12 2.52 2f6bB1 VAL 179 HG13 0.24 -0.00 -0.04 -0.04 0.97 1.13 2f6bB1 VAL 179 HG23 0.27 -0.01 -0.11 -0.04 0.95 1.06 2f6bB1 ALA 180 H 0.10 0.44 0.23 -0.55 8.40 8.63 2f6bB1 ALA 180 HA 0.12 0.08 0.75 -0.75 4.34 4.54 2f6bB1 ALA 180 HB3 0.11 0.03 -0.33 -0.04 1.41 1.17 2f6bB1 LEU 181 H 0.13 0.42 0.20 -0.55 8.37 8.58 2f6bB1 LEU 181 HA 0.02 0.09 0.82 -0.75 4.35 4.53 2f6bB1 LEU 181 HB2 0.05 -0.07 0.13 -0.04 1.64 1.71 2f6bB1 LEU 181 HB3 0.14 0.09 0.17 -0.04 1.64 2.00 2f6bB1 LEU 181 HG -0.10 -0.05 -0.04 -0.04 1.64 1.42 2f6bB1 LEU 181 HD13 -0.04 0.02 -0.17 -0.04 0.93 0.70 2f6bB1 LEU 181 HD23 -0.34 -0.00 -0.09 -0.04 0.89 0.42 2f6bB1 THR 182 H 0.05 0.71 0.41 -0.55 8.28 8.90 2f6bB1 THR 182 HA 0.14 0.27 1.01 -0.75 4.39 5.05 2f6bB1 THR 182 HB 0.05 0.01 -0.09 -0.04 4.32 4.24 2f6bB1 THR 182 HG23 -0.21 -0.02 -0.35 -0.04 1.22 0.59 2f6bB1 VAL 183 H 0.20 0.82 0.34 -0.55 8.24 9.06 2f6bB1 VAL 183 HA 0.09 0.36 1.02 -0.75 4.13 4.84 2f6bB1 VAL 183 HB 0.35 -0.06 0.08 -0.04 2.12 2.45 2f6bB1 VAL 183 HG13 0.15 0.00 -0.23 -0.04 0.97 0.85 2f6bB1 VAL 183 HG23 0.21 -0.01 -0.13 -0.04 0.95 0.98 2f6bB1 GLU 184 H 0.05 0.46 0.18 -0.55 8.60 8.75 2f6bB1 GLU 184 HA -0.26 0.41 1.07 -0.75 4.29 4.75 2f6bB1 GLU 184 HB2 -0.05 -0.01 -0.12 -0.04 2.09 1.87 2f6bB1 GLU 184 HB3 0.13 -0.10 0.01 -0.04 1.99 1.99 2f6bB1 GLU 184 HG2 -0.18 -0.07 -0.38 -0.04 2.34 1.67 2f6bB1 GLU 184 HG3 -0.26 0.17 -0.01 -0.04 2.34 2.19 2f6bB1 GLY 185 H -0.50 0.64 0.27 -0.55 8.43 8.30 2f6bB1 GLY 185 HA2 -0.21 0.18 0.91 -0.51 4.01 4.38 2f6bB1 GLY 185 HA3 -0.70 -0.02 0.16 -0.51 4.01 2.95 2f6bB1 TYR 186 H 0.09 0.64 0.07 -0.55 8.29 8.54 2f6bB1 TYR 186 HA -0.03 0.39 0.88 -0.75 4.56 5.05 2f6bB1 TYR 186 HB2 -0.07 -0.08 -0.04 -0.04 3.06 2.82 2f6bB1 TYR 186 HB3 -0.02 0.01 -0.04 -0.04 2.98 2.89 2f6bB1 TYR 186 HD2 -0.07 0.00 -0.13 -0.04 7.15 6.91 2f6bB1 TYR 186 HE2 0.15 -0.02 -0.11 -0.04 6.85 6.82 2f6bB1 GLN 187 H 0.10 0.57 0.13 -0.55 8.47 8.72 2f6bB1 GLN 187 HA 0.09 0.32 0.50 -0.75 4.36 4.51 2f6bB1 GLN 187 HB2 0.06 -0.02 0.23 -0.04 2.15 2.38 2f6bB1 GLN 187 HB3 0.06 -0.03 0.15 -0.04 2.02 2.16 2f6bB1 GLN 187 HG2 0.21 0.08 -0.02 -0.04 2.40 2.63 2f6bB1 GLN 187 HG3 0.10 -0.00 -0.28 -0.04 2.39 2.17 2f6bB1 GLN 187 HE21 0.05 -0.03 0.02 -0.04 6.97 6.97 2f6bB1 GLN 187 HE22 0.09 0.03 0.09 -0.04 7.69 7.85 2f6bB1 SER 188 H 0.20 0.19 -0.04 -0.55 8.46 8.26 2f6bB1 SER 188 HA 0.13 0.13 0.69 -0.75 4.49 4.69 2f6bB1 SER 188 HB2 0.29 0.14 -0.02 -0.04 3.95 4.32 2f6bB1 SER 188 HB3 0.22 -0.04 -0.08 -0.04 3.93 3.98 2f6bB1 SER 189 H 0.04 0.60 0.33 -0.55 8.46 8.88 2f6bB1 SER 189 HA -0.44 0.11 0.37 -0.75 4.49 3.79 2f6bB1 SER 189 HB2 -0.17 0.04 0.13 -0.04 3.95 3.91 2f6bB1 SER 189 HB3 -0.26 0.15 0.39 -0.04 3.93 4.18 2f6bB1 GLY 190 H -1.06 0.57 0.39 -0.55 8.43 7.78 2f6bB1 GLY 190 HA2 -0.58 0.10 0.42 -0.51 4.01 3.44 2f6bB1 GLY 190 HA3 -1.09 0.05 0.69 -0.51 4.01 3.15 2f6bB1 SER 191 H -0.46 0.60 0.26 -0.55 8.46 8.31 2f6bB1 SER 191 HA -0.17 0.20 0.68 -0.75 4.49 4.44 2f6bB1 SER 191 HB2 -0.06 0.05 0.17 -0.04 3.95 4.06 2f6bB1 SER 191 HB3 -0.18 -0.01 0.15 -0.04 3.93 3.86 2f6bB1 ALA 192 H 0.14 0.69 0.40 -0.55 8.40 9.08 2f6bB1 ALA 192 HA 0.21 0.25 0.85 -0.75 4.34 4.89 2f6bB1 ALA 192 HB3 0.38 0.00 -0.08 -0.04 1.41 1.68 2f6bB1 ASN 193 H 0.07 0.64 0.31 -0.55 8.53 9.01 2f6bB1 ASN 193 HA -0.04 0.12 0.92 -0.75 4.76 5.01 2f6bB1 ASN 193 HB2 0.04 0.04 0.10 -0.04 2.88 3.01 2f6bB1 ASN 193 HB3 0.09 -0.04 0.25 -0.04 2.79 3.05 2f6bB1 ASN 193 HD21 0.10 0.02 -0.05 -0.04 7.03 7.07 2f6bB1 ASN 193 HD22 0.13 -0.02 0.02 -0.04 7.74 7.83 2f6bB1 VAL 194 H -0.30 0.90 0.32 -0.55 8.24 8.61 2f6bB1 VAL 194 HA -0.30 0.13 1.01 -0.75 4.13 4.21 2f6bB1 VAL 194 HB -1.06 0.11 0.26 -0.04 2.12 1.39 2f6bB1 VAL 194 HG13 -0.26 0.00 -0.03 -0.04 0.97 0.64 2f6bB1 VAL 194 HG23 -0.51 -0.02 -0.15 -0.04 0.95 0.22 2f6bB1 TYR 195 H -0.45 0.23 0.06 -0.55 8.29 7.59 2f6bB1 TYR 195 HA -0.05 0.07 0.28 -0.75 4.56 4.11 2f6bB1 TYR 195 HB2 -0.02 0.00 0.09 -0.04 3.06 3.09 2f6bB1 TYR 195 HB3 -0.03 -0.02 -0.00 -0.04 2.98 2.88 2f6bB1 TYR 195 HD2 -0.02 -0.00 -0.19 -0.04 7.15 6.90 2f6bB1 TYR 195 HE2 -0.02 0.02 -0.17 -0.04 6.85 6.63 2f6bB1 SER 196 H -0.25 0.40 -0.23 -0.55 8.46 7.83 2f6bB1 SER 196 HA 0.03 0.09 0.64 -0.75 4.49 4.50 2f6bB1 SER 196 HB2 0.19 0.14 -0.17 -0.04 3.95 4.07 2f6bB1 SER 196 HB3 -0.04 -0.10 -0.05 -0.04 3.93 3.70 2f6bB1 ASN 197 H 0.00 0.16 0.00 -0.55 8.53 8.15 2f6bB1 ASN 197 HA 0.07 0.11 0.68 -0.75 4.76 4.87 2f6bB1 ASN 197 HB2 -0.03 0.11 -0.16 -0.04 2.88 2.75 2f6bB1 ASN 197 HB3 -0.09 -0.02 -0.38 -0.04 2.79 2.27 2f6bB1 ASN 197 HD21 0.09 0.20 0.15 -0.04 7.03 7.43 2f6bB1 ASN 197 HD22 0.01 0.71 0.15 -0.04 7.74 8.57 2f6bB1 THR 198 H 0.10 0.69 0.30 -0.55 8.28 8.82 2f6bB1 THR 198 HA 0.23 0.14 1.03 -0.75 4.39 5.03 2f6bB1 THR 198 HB 0.10 -0.06 0.20 -0.04 4.32 4.51 2f6bB1 THR 198 HG23 0.12 0.01 -0.02 -0.04 1.22 1.30 2f6bB1 LEU 199 H 0.41 0.20 0.15 -0.55 8.37 8.58 2f6bB1 LEU 199 HA 0.13 0.17 1.01 -0.75 4.35 4.91 2f6bB1 LEU 199 HB2 0.22 -0.01 0.03 -0.04 1.64 1.84 2f6bB1 LEU 199 HB3 0.16 0.01 0.12 -0.04 1.64 1.90 2f6bB1 LEU 199 HG 0.07 0.03 -0.45 -0.04 1.64 1.25 2f6bB1 LEU 199 HD13 0.10 0.01 -0.10 -0.04 0.93 0.90 2f6bB1 LEU 199 HD23 0.07 0.01 -0.10 -0.04 0.89 0.82 2f6bB1 ARG 200 H 0.07 0.69 0.31 -0.55 8.46 8.98 2f6bB1 ARG 200 HA 0.05 0.32 0.63 -0.75 4.34 4.58 2f6bB1 ARG 200 HB2 0.04 -0.03 0.02 -0.04 1.90 1.89 2f6bB1 ARG 200 HB3 0.03 -0.11 -0.35 -0.04 1.80 1.34 2f6bB1 ARG 200 HG2 0.05 0.07 -0.37 -0.04 1.67 1.37 2f6bB1 ARG 200 HG3 0.06 -0.05 -0.30 -0.04 1.67 1.34 2f6bB1 ARG 200 HD2 0.03 -0.11 -0.15 -0.04 3.22 2.95 2f6bB1 ARG 200 HD3 0.03 0.36 -0.28 -0.04 3.22 3.29 2f6bB1 ILE 201 H 0.04 0.69 0.07 -0.55 8.25 8.50 2f6bB1 ILE 201 HA 0.04 0.26 0.89 -0.75 4.18 4.62 2f6bB1 ILE 201 HB 0.05 0.11 0.14 -0.04 1.89 2.15 2f6bB1 ILE 201 HG12 0.11 -0.03 -0.15 -0.04 1.49 1.38 2f6bB1 ILE 201 HG13 0.09 -0.10 -0.38 -0.04 1.21 0.78 2f6bB1 ILE 201 HG23 0.04 -0.01 -0.13 -0.04 0.93 0.79 2f6bB1 ILE 201 HD13 0.16 0.02 -0.07 -0.04 0.88 0.95 2f6bB1 ASN 202 H 0.02 0.67 0.24 -0.55 8.53 8.91 2f6bB1 ASN 202 HA 0.01 -0.05 0.39 -0.75 4.76 4.36 2f6bB1 ASN 202 HB2 0.01 0.14 0.18 -0.04 2.88 3.18 2f6bB1 ASN 202 HB3 0.01 -0.01 0.20 -0.04 2.79 2.95 2f6bB1 ASN 202 HD21 0.01 0.21 0.06 -0.04 7.03 7.26 2f6bB1 ASN 202 HD22 0.01 0.05 -0.10 -0.04 7.74 7.66 2f6bB1 GLY 203 H 0.01 0.06 -0.27 -0.55 8.43 7.69 2f6bB1 GLY 203 HA2 0.02 -0.06 0.23 -0.51 4.01 3.68 2f6bB1 GLY 203 HA3 0.01 0.08 0.34 -0.51 4.01 3.93 2f6bB1 ASN 204 H 0.02 0.66 -0.83 -0.55 8.53 7.83 2f6bB1 ASN 204 HA 0.02 0.11 0.63 -0.75 4.76 4.76 2f6bB1 ASN 204 HB2 0.02 0.33 0.24 -0.04 2.88 3.43 2f6bB1 ASN 204 HB3 0.02 -0.06 0.25 -0.04 2.79 2.96 2f6bB1 ASN 204 HD21 0.01 -0.08 0.02 -0.04 7.03 6.94 2f6bB1 ASN 204 HD22 0.01 0.09 -0.00 -0.04 7.74 7.80 2f6bB1 PRO 205 HA 0.05 0.10 0.32 -0.51 4.44 4.41 2f6bB1 PRO 205 HB2 0.04 0.05 -0.00 -0.04 2.28 2.33 2f6bB1 PRO 205 HB3 0.07 -0.08 0.13 -0.04 2.02 2.10 2f6bB1 PRO 205 HG2 0.04 0.02 0.09 -0.04 2.03 2.13 2f6bB1 PRO 205 HG3 0.04 -0.02 0.06 -0.04 2.03 2.08 2f6bB1 PRO 205 HD2 0.02 0.08 0.26 -0.04 3.68 4.00 2f6bB1 PRO 205 HD3 0.03 0.53 0.38 -0.04 3.65 4.55 2f6bB1 LEU 206 H 0.06 -0.00 0.14 -0.55 8.37 8.02 2f6bB1 LEU 206 HA -0.07 0.29 0.84 -0.75 4.35 4.65 2f6bB1 LEU 206 HB2 -0.21 0.03 0.13 -0.04 1.64 1.55 2f6bB1 LEU 206 HB3 -0.66 0.01 0.10 -0.04 1.64 1.05 2f6bB1 LEU 206 HG -0.22 0.02 0.10 -0.04 1.64 1.50 2f6bB1 LEU 206 HD13 -0.07 0.04 -0.06 -0.04 0.93 0.79 2f6bB1 LEU 206 HD23 -0.47 -0.01 0.04 -0.04 0.89 0.41