============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 6 1.000 -8.372 99.667 26.961 -99.200 -91.000 PHE 11 1.000 -5.717 93.927 34.348 -99.200 -91.000 PHE 20 1.000 -13.809 94.378 38.255 -99.200 -91.000 TYR 25 0.840 -10.426 88.338 42.907 -99.200 -91.000 TYR 46 0.840 -11.652 100.556 28.339 -99.200 -91.000 HIS 51 0.900 -19.684 104.984 16.276 -99.200 -91.000 TRP 53 1.040 -21.514 98.555 13.307 -99.200 -91.000 TRP6 53 1.020 -23.483 99.384 12.331 -99.200 -91.000 PHE 63 1.000 -11.452 95.023 16.844 -99.200 -91.000 PHE 67 1.000 -6.069 88.779 25.311 -99.200 -91.000 PHE 69 1.000 -4.861 83.317 27.792 -99.200 -91.000 TYR 77 0.840 -2.798 63.898 33.313 -99.200 -91.000 PHE 83 1.000 -8.787 84.753 28.397 -99.200 -91.000 PHE 85 1.000 -11.329 91.260 22.958 -99.200 -91.000 PHE 86 1.000 -17.312 89.350 26.673 -99.200 -91.000 TYR 100 0.840 -23.767 76.275 25.909 -99.200 -91.000 PHE 104 1.000 -21.113 83.007 21.752 -99.200 -91.000 TYR 109 0.840 -25.903 83.475 12.808 -99.200 -91.000 PHE 120 1.000 -7.276 82.853 23.304 -99.200 -91.000 PHE 123 1.000 -14.772 69.203 29.592 -99.200 -91.000 TYR 124 0.840 -14.683 66.348 22.270 -99.200 -91.000 TRP 128 1.040 -19.529 73.161 21.930 -99.200 -91.000 TRP6 128 1.020 -20.964 72.717 23.736 -99.200 -91.000 HIS 136 0.900 -11.349 73.833 20.736 -99.200 -91.000 TRP 152 1.040 -3.492 77.011 22.708 -99.200 -91.000 TRP6 152 1.020 -5.051 77.318 24.456 -99.200 -91.000 HIS 161 0.900 4.190 87.595 24.891 -99.200 -91.000 PHE 166 1.000 -12.968 93.619 11.546 -99.200 -91.000 TYR 179 0.840 1.701 78.998 25.400 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2b7yA1 ASP 2 HA 0.27 -0.06 0.17 -0.75 4.63 4.26 2b7yA1 ASP 2 HB2 0.09 -0.03 0.03 -0.04 2.71 2.77 2b7yA1 ASP 2 HB3 0.07 0.02 0.00 -0.04 2.70 2.75 2b7yA1 GLU 3 H 0.06 0.31 -0.03 -0.55 8.60 8.39 2b7yA1 GLU 3 HA 0.05 0.01 0.46 -0.75 4.29 4.05 2b7yA1 GLU 3 HB2 0.04 0.08 -0.10 -0.04 2.09 2.06 2b7yA1 GLU 3 HB3 0.04 -0.01 0.07 -0.04 1.99 2.04 2b7yA1 GLU 3 HG2 0.03 -0.01 -0.16 -0.04 2.34 2.17 2b7yA1 GLU 3 HG3 0.03 -0.02 0.05 -0.04 2.34 2.36 2b7yA1 ILE 4 H 0.05 0.09 0.07 -0.55 8.25 7.92 2b7yA1 ILE 4 HA 0.05 -0.02 0.44 -0.75 4.18 3.90 2b7yA1 ILE 4 HB 0.04 0.17 0.32 -0.04 1.89 2.38 2b7yA1 ILE 4 HG12 0.03 -0.14 -0.60 -0.04 1.49 0.74 2b7yA1 ILE 4 HG13 0.03 0.01 -0.09 -0.04 1.21 1.11 2b7yA1 ILE 4 HG23 0.03 -0.02 -0.15 -0.04 0.93 0.75 2b7yA1 ILE 4 HD13 0.03 -0.00 -0.00 -0.04 0.88 0.86 2b7yA1 THR 5 H 0.06 0.27 0.17 -0.55 8.28 8.22 2b7yA1 THR 5 HA 0.08 0.15 0.61 -0.75 4.39 4.48 2b7yA1 THR 5 HB 0.09 -0.04 0.04 -0.04 4.32 4.37 2b7yA1 THR 5 HG23 0.15 0.03 0.02 -0.04 1.22 1.37 2b7yA1 SER 6 H 0.10 0.36 0.19 -0.55 8.46 8.56 2b7yA1 SER 6 HA -0.05 0.11 0.39 -0.75 4.49 4.18 2b7yA1 SER 6 HB2 -0.07 0.07 0.16 -0.04 3.95 4.07 2b7yA1 SER 6 HB3 -0.01 0.04 -0.01 -0.04 3.93 3.91 2b7yA1 PHE 7 H -0.40 0.30 0.23 -0.55 8.34 7.91 2b7yA1 PHE 7 HA 0.00 0.14 0.52 -0.75 4.62 4.53 2b7yA1 PHE 7 HB2 0.03 -0.01 0.16 -0.04 3.15 3.29 2b7yA1 PHE 7 HB3 0.05 0.09 -0.02 -0.04 3.06 3.14 2b7yA1 PHE 7 HD2 -0.21 -0.03 -0.21 -0.04 7.28 6.78 2b7yA1 PHE 7 HE2 -0.48 0.03 -0.06 -0.04 7.38 6.83 2b7yA1 PHE 7 HZ -0.41 -0.00 -0.02 -0.04 7.32 6.86 2b7yA1 SER 8 H 0.20 0.36 0.20 -0.55 8.46 8.68 2b7yA1 SER 8 HA -0.05 0.09 0.36 -0.75 4.49 4.13 2b7yA1 SER 8 HB2 -0.03 0.01 0.06 -0.04 3.95 3.95 2b7yA1 SER 8 HB3 -0.05 0.11 -0.04 -0.04 3.93 3.91 2b7yA1 ILE 9 H 0.02 0.32 0.05 -0.55 8.25 8.09 2b7yA1 ILE 9 HA -0.05 0.17 0.81 -0.75 4.18 4.35 2b7yA1 ILE 9 HB -0.04 -0.02 0.11 -0.04 1.89 1.90 2b7yA1 ILE 9 HG12 -0.01 0.07 -0.04 -0.04 1.49 1.47 2b7yA1 ILE 9 HG13 0.24 -0.13 -0.40 -0.04 1.21 0.87 2b7yA1 ILE 9 HG23 -0.71 0.03 -0.20 -0.04 0.93 0.00 2b7yA1 ILE 9 HD13 0.05 0.00 -0.07 -0.04 0.88 0.82 2b7yA1 PRO 10 HA -0.02 0.13 0.72 -0.51 4.44 4.75 2b7yA1 PRO 10 HB2 -0.01 0.04 -0.04 -0.04 2.28 2.22 2b7yA1 PRO 10 HB3 -0.01 0.01 0.07 -0.04 2.02 2.05 2b7yA1 PRO 10 HG2 -0.01 0.05 0.04 -0.04 2.03 2.07 2b7yA1 PRO 10 HG3 -0.01 0.01 -0.08 -0.04 2.03 1.91 2b7yA1 PRO 10 HD2 -0.06 0.07 0.27 -0.04 3.68 3.92 2b7yA1 PRO 10 HD3 -0.03 0.23 0.26 -0.04 3.65 4.07 2b7yA1 LYS 11 H -0.12 0.21 0.14 -0.55 8.42 8.10 2b7yA1 LYS 11 HA 0.05 0.23 0.76 -0.75 4.32 4.60 2b7yA1 LYS 11 HB2 -0.00 -0.10 0.02 -0.04 1.87 1.75 2b7yA1 LYS 11 HB3 0.05 0.14 -0.05 -0.04 1.79 1.89 2b7yA1 LYS 11 HG2 0.06 0.07 0.11 -0.04 1.46 1.65 2b7yA1 LYS 11 HG3 0.02 -0.07 -0.16 -0.04 1.46 1.22 2b7yA1 LYS 11 HD2 0.05 0.08 0.02 -0.04 1.69 1.80 2b7yA1 LYS 11 HD3 0.04 -0.05 -0.01 -0.04 1.68 1.62 2b7yA1 LYS 11 HE2 0.02 -0.04 -0.03 -0.04 2.99 2.90 2b7yA1 LYS 11 HE3 0.02 0.00 -0.04 -0.04 2.99 2.93 2b7yA1 PHE 12 H 0.35 0.72 0.11 -0.55 8.34 8.97 2b7yA1 PHE 12 HA 0.07 0.10 0.94 -0.75 4.62 4.98 2b7yA1 PHE 12 HB2 0.05 0.10 -0.49 -0.04 3.15 2.77 2b7yA1 PHE 12 HB3 0.08 0.01 -0.26 -0.04 3.06 2.85 2b7yA1 PHE 12 HD2 0.08 0.09 -0.11 -0.04 7.28 7.31 2b7yA1 PHE 12 HE2 0.09 0.00 -0.10 -0.04 7.38 7.34 2b7yA1 PHE 12 HZ 0.12 -0.00 -0.06 -0.04 7.32 7.33 2b7yA1 ARG 13 H 0.16 0.11 0.02 -0.55 8.46 8.20 2b7yA1 ARG 13 HA 0.10 0.37 0.77 -0.75 4.34 4.83 2b7yA1 ARG 13 HB2 0.06 -0.05 -0.02 -0.04 1.90 1.84 2b7yA1 ARG 13 HB3 0.07 0.03 0.00 -0.04 1.80 1.86 2b7yA1 ARG 13 HG2 0.05 0.00 0.08 -0.04 1.67 1.76 2b7yA1 ARG 13 HG3 0.05 0.05 -0.02 -0.04 1.67 1.70 2b7yA1 ARG 13 HD2 0.03 -0.03 -0.01 -0.04 3.22 3.18 2b7yA1 ARG 13 HD3 0.04 0.00 0.01 -0.04 3.22 3.23 2b7yA1 PRO 14 HA 0.07 0.30 0.36 -0.51 4.44 4.66 2b7yA1 PRO 14 HB2 0.04 -0.10 0.09 -0.04 2.28 2.28 2b7yA1 PRO 14 HB3 0.04 -0.01 0.06 -0.04 2.02 2.07 2b7yA1 PRO 14 HG2 0.05 -0.03 0.08 -0.04 2.03 2.09 2b7yA1 PRO 14 HG3 0.06 -0.04 -0.05 -0.04 2.03 1.96 2b7yA1 PRO 14 HD2 0.06 0.03 0.25 -0.04 3.68 3.98 2b7yA1 PRO 14 HD3 0.08 0.41 0.22 -0.04 3.65 4.32 2b7yA1 ASP 15 H 0.06 0.03 -0.10 -0.55 8.40 7.85 2b7yA1 ASP 15 HA 0.09 0.36 1.48 -0.75 4.63 5.80 2b7yA1 ASP 15 HB2 0.04 -0.04 0.06 -0.04 2.71 2.73 2b7yA1 ASP 15 HB3 0.05 -0.04 0.05 -0.04 2.70 2.72 2b7yA1 GLN 16 H 0.24 0.21 0.06 -0.55 8.47 8.43 2b7yA1 GLN 16 HA 0.09 0.22 1.01 -0.75 4.36 4.93 2b7yA1 GLN 16 HB2 0.38 0.04 0.16 -0.04 2.15 2.69 2b7yA1 GLN 16 HB3 0.12 -0.12 0.09 -0.04 2.02 2.06 2b7yA1 GLN 16 HG2 0.21 0.48 -0.39 -0.04 2.40 2.65 2b7yA1 GLN 16 HG3 0.36 -0.03 -0.11 -0.04 2.39 2.57 2b7yA1 GLN 16 HE21 0.03 0.00 0.05 -0.04 6.97 7.01 2b7yA1 GLN 16 HE22 0.07 -0.06 0.11 -0.04 7.69 7.76 2b7yA1 PRO 17 HA 0.01 0.10 0.43 -0.51 4.44 4.48 2b7yA1 PRO 17 HB2 -0.03 0.02 -0.08 -0.04 2.28 2.15 2b7yA1 PRO 17 HB3 -0.01 0.03 0.11 -0.04 2.02 2.10 2b7yA1 PRO 17 HG2 0.00 0.04 0.04 -0.04 2.03 2.08 2b7yA1 PRO 17 HG3 0.02 0.03 0.04 -0.04 2.03 2.07 2b7yA1 PRO 17 HD2 0.03 0.14 0.16 -0.04 3.68 3.96 2b7yA1 PRO 17 HD3 0.05 0.14 -0.38 -0.04 3.65 3.42 2b7yA1 ASN 18 H -0.05 0.03 -0.56 -0.55 8.53 7.41 2b7yA1 ASN 18 HA -0.20 0.27 0.98 -0.75 4.76 5.05 2b7yA1 ASN 18 HB2 -0.39 -0.06 0.20 -0.04 2.88 2.59 2b7yA1 ASN 18 HB3 -0.15 0.01 0.02 -0.04 2.79 2.62 2b7yA1 ASN 18 HD21 -0.02 0.02 -0.01 -0.04 7.03 6.98 2b7yA1 ASN 18 HD22 -0.06 0.00 0.01 -0.04 7.74 7.66 2b7yA1 LEU 19 H -0.14 0.64 -0.15 -0.55 8.37 8.18 2b7yA1 LEU 19 HA -0.28 0.22 1.07 -0.75 4.35 4.61 2b7yA1 LEU 19 HB2 -0.37 0.06 0.06 -0.04 1.64 1.36 2b7yA1 LEU 19 HB3 -0.60 -0.01 -0.22 -0.04 1.64 0.76 2b7yA1 LEU 19 HG -0.01 -0.11 -0.24 -0.04 1.64 1.25 2b7yA1 LEU 19 HD13 0.17 -0.00 -0.16 -0.04 0.93 0.90 2b7yA1 LEU 19 HD23 -0.03 0.07 -0.21 -0.04 0.89 0.68 2b7yA1 ILE 20 H -0.29 0.68 0.20 -0.55 8.25 8.29 2b7yA1 ILE 20 HA -0.18 0.11 0.71 -0.75 4.18 4.07 2b7yA1 ILE 20 HB -0.14 -0.01 0.13 -0.04 1.89 1.83 2b7yA1 ILE 20 HG12 -0.09 -0.00 -0.03 -0.04 1.49 1.32 2b7yA1 ILE 20 HG13 -0.16 -0.08 -0.25 -0.04 1.21 0.67 2b7yA1 ILE 20 HG23 -0.05 0.01 -0.11 -0.04 0.93 0.73 2b7yA1 ILE 20 HD13 -0.13 0.04 -0.08 -0.04 0.88 0.66 2b7yA1 PHE 21 H -0.05 0.18 0.20 -0.55 8.34 8.11 2b7yA1 PHE 21 HA 0.01 0.17 1.01 -0.75 4.62 5.05 2b7yA1 PHE 21 HB2 0.02 -0.08 0.06 -0.04 3.15 3.12 2b7yA1 PHE 21 HB3 0.03 0.29 0.12 -0.04 3.06 3.46 2b7yA1 PHE 21 HD2 0.01 -0.02 -0.06 -0.04 7.28 7.16 2b7yA1 PHE 21 HE2 0.00 -0.04 -0.08 -0.04 7.38 7.22 2b7yA1 PHE 21 HZ 0.05 -0.03 -0.02 -0.04 7.32 7.28 2b7yA1 GLN 22 H 0.15 0.63 0.41 -0.55 8.47 9.11 2b7yA1 GLN 22 HA 0.08 0.11 0.60 -0.75 4.36 4.40 2b7yA1 GLN 22 HB2 0.03 -0.07 -0.09 -0.04 2.15 1.98 2b7yA1 GLN 22 HB3 0.03 -0.02 0.11 -0.04 2.02 2.10 2b7yA1 GLN 22 HG2 0.02 0.14 -0.46 -0.04 2.40 2.07 2b7yA1 GLN 22 HG3 0.03 0.01 -0.48 -0.04 2.39 1.91 2b7yA1 GLN 22 HE21 -0.01 0.39 -0.07 -0.04 6.97 7.24 2b7yA1 GLN 22 HE22 -0.01 -0.03 -0.13 -0.04 7.69 7.48 2b7yA1 GLY 23 H 0.04 0.12 0.15 -0.55 8.43 8.20 2b7yA1 GLY 23 HA2 0.03 0.01 0.36 -0.51 4.01 3.91 2b7yA1 GLY 23 HA3 0.05 0.08 0.52 -0.51 4.01 4.14 2b7yA1 GLY 24 H 0.06 0.66 0.46 -0.55 8.43 9.07 2b7yA1 GLY 24 HA2 0.07 0.05 0.46 -0.51 4.01 4.07 2b7yA1 GLY 24 HA3 0.08 -0.03 0.34 -0.51 4.01 3.90 2b7yA1 GLY 25 H 0.11 0.08 -0.21 -0.55 8.43 7.85 2b7yA1 GLY 25 HA2 0.07 0.20 0.55 -0.51 4.01 4.33 2b7yA1 GLY 25 HA3 0.18 -0.03 0.31 -0.51 4.01 3.96 2b7yA1 TYR 26 H -0.15 0.48 0.38 -0.55 8.29 8.45 2b7yA1 TYR 26 HA -0.69 0.12 0.61 -0.75 4.56 3.85 2b7yA1 TYR 26 HB2 -0.23 -0.01 0.05 -0.04 3.06 2.83 2b7yA1 TYR 26 HB3 -0.16 0.08 -0.10 -0.04 2.98 2.76 2b7yA1 TYR 26 HD2 -0.07 0.26 -0.20 -0.04 7.15 7.10 2b7yA1 TYR 26 HE2 -0.02 -0.06 -0.13 -0.04 6.85 6.60 2b7yA1 THR 27 H -0.27 0.27 0.11 -0.55 8.28 7.84 2b7yA1 THR 27 HA -0.26 -0.05 1.00 -0.75 4.39 4.33 2b7yA1 THR 27 HB 0.15 -0.11 -0.10 -0.04 4.32 4.23 2b7yA1 THR 27 HG23 0.06 -0.02 -0.00 -0.04 1.22 1.22 2b7yA1 THR 28 H -0.25 0.02 0.02 -0.55 8.28 7.52 2b7yA1 THR 28 HA 0.18 0.11 0.49 -0.75 4.39 4.41 2b7yA1 THR 28 HB 0.17 0.06 0.07 -0.04 4.32 4.58 2b7yA1 THR 28 HG23 -0.09 -0.07 -0.08 -0.04 1.22 0.95 2b7yA1 LYS 29 H 0.07 0.06 0.14 -0.55 8.42 8.14 2b7yA1 LYS 29 HA 0.07 0.10 0.44 -0.75 4.32 4.17 2b7yA1 LYS 29 HB2 0.05 -0.08 0.18 -0.04 1.87 1.98 2b7yA1 LYS 29 HB3 0.05 0.04 0.01 -0.04 1.79 1.85 2b7yA1 LYS 29 HG2 0.04 0.04 0.10 -0.04 1.46 1.61 2b7yA1 LYS 29 HG3 0.05 -0.03 0.10 -0.04 1.46 1.54 2b7yA1 LYS 29 HD2 0.04 -0.01 0.04 -0.04 1.69 1.71 2b7yA1 LYS 29 HD3 0.03 0.02 0.04 -0.04 1.68 1.72 2b7yA1 LYS 29 HE2 0.03 0.01 0.03 -0.04 2.99 3.01 2b7yA1 LYS 29 HE3 0.03 -0.01 0.04 -0.04 2.99 3.01 2b7yA1 GLU 30 H 0.07 -0.21 -0.09 -0.55 8.60 7.82 2b7yA1 GLU 30 HA 0.11 0.40 1.13 -0.75 4.29 5.18 2b7yA1 GLU 30 HB2 0.07 -0.08 0.02 -0.04 2.09 2.06 2b7yA1 GLU 30 HB3 0.09 0.01 0.05 -0.04 1.99 2.10 2b7yA1 GLU 30 HG2 0.06 0.11 -0.51 -0.04 2.34 1.96 2b7yA1 GLU 30 HG3 0.05 -0.06 -0.09 -0.04 2.34 2.20 2b7yA1 LYS 31 H 0.05 -0.18 0.01 -0.55 8.42 7.75 2b7yA1 LYS 31 HA 0.11 0.20 0.58 -0.75 4.32 4.45 2b7yA1 LYS 31 HB2 -0.04 -0.06 -0.08 -0.04 1.87 1.65 2b7yA1 LYS 31 HB3 -0.03 0.05 0.05 -0.04 1.79 1.82 2b7yA1 LYS 31 HG2 0.05 0.09 -0.07 -0.04 1.46 1.49 2b7yA1 LYS 31 HG3 0.05 -0.14 -0.05 -0.04 1.46 1.28 2b7yA1 LYS 31 HD2 0.02 -0.05 -0.02 -0.04 1.69 1.60 2b7yA1 LYS 31 HD3 0.01 0.04 -0.03 -0.04 1.68 1.65 2b7yA1 LYS 31 HE2 0.03 0.04 -0.03 -0.04 2.99 2.98 2b7yA1 LYS 31 HE3 0.03 -0.02 -0.02 -0.04 2.99 2.94 2b7yA1 LEU 32 H -0.28 0.25 0.11 -0.55 8.37 7.91 2b7yA1 LEU 32 HA -0.31 0.16 0.72 -0.75 4.35 4.16 2b7yA1 LEU 32 HB2 -0.99 0.07 -0.05 -0.04 1.64 0.63 2b7yA1 LEU 32 HB3 -0.98 -0.02 0.09 -0.04 1.64 0.69 2b7yA1 LEU 32 HG -0.18 -0.09 -0.36 -0.04 1.64 0.97 2b7yA1 LEU 32 HD13 0.01 0.04 -0.28 -0.04 0.93 0.66 2b7yA1 LEU 32 HD23 -0.23 0.00 -0.10 -0.04 0.89 0.53 2b7yA1 THR 33 H -0.47 0.47 0.18 -0.55 8.28 7.91 2b7yA1 THR 33 HA -0.11 0.14 1.09 -0.75 4.39 4.76 2b7yA1 THR 33 HB -0.37 0.07 0.05 -0.04 4.32 4.03 2b7yA1 THR 33 HG23 0.01 -0.06 0.03 -0.04 1.22 1.16 2b7yA1 LEU 34 H 0.01 0.21 0.14 -0.55 8.37 8.18 2b7yA1 LEU 34 HA 0.05 0.10 0.58 -0.75 4.35 4.33 2b7yA1 LEU 34 HB2 0.13 0.00 0.07 -0.04 1.64 1.80 2b7yA1 LEU 34 HB3 0.11 0.04 -0.01 -0.04 1.64 1.74 2b7yA1 LEU 34 HG 0.04 0.01 -0.19 -0.04 1.64 1.46 2b7yA1 LEU 34 HD13 0.13 0.02 -0.04 -0.04 0.93 1.01 2b7yA1 LEU 34 HD23 0.06 0.01 -0.32 -0.04 0.89 0.60 2b7yA1 THR 35 H 0.05 0.12 -0.08 -0.55 8.28 7.82 2b7yA1 THR 35 HA 0.09 0.12 0.65 -0.75 4.39 4.50 2b7yA1 THR 35 HB 0.11 -0.10 -0.22 -0.04 4.32 4.07 2b7yA1 THR 35 HG23 0.08 -0.00 -0.32 -0.04 1.22 0.94 2b7yA1 LYS 36 H 0.08 0.21 0.10 -0.55 8.42 8.25 2b7yA1 LYS 36 HA 0.07 0.17 0.94 -0.75 4.32 4.75 2b7yA1 LYS 36 HB2 0.06 0.02 -0.04 -0.04 1.87 1.87 2b7yA1 LYS 36 HB3 0.06 0.04 -0.03 -0.04 1.79 1.81 2b7yA1 LYS 36 HG2 0.15 0.02 -0.15 -0.04 1.46 1.43 2b7yA1 LYS 36 HG3 0.15 -0.00 -0.18 -0.04 1.46 1.38 2b7yA1 LYS 36 HD2 0.03 0.03 -0.06 -0.04 1.69 1.65 2b7yA1 LYS 36 HD3 0.04 0.01 -0.05 -0.04 1.68 1.64 2b7yA1 LYS 36 HE2 0.10 -0.02 -0.03 -0.04 2.99 3.00 2b7yA1 LYS 36 HE3 0.27 0.01 -0.08 -0.04 2.99 3.15 2b7yA1 ALA 37 H 0.05 0.15 0.12 -0.55 8.40 8.17 2b7yA1 ALA 37 HA 0.04 0.04 0.58 -0.75 4.34 4.25 2b7yA1 ALA 37 HB3 0.03 0.02 0.20 -0.04 1.41 1.62 2b7yA1 VAL 38 H 0.04 0.31 0.23 -0.55 8.24 8.28 2b7yA1 VAL 38 HA 0.02 0.02 0.61 -0.75 4.13 4.03 2b7yA1 VAL 38 HB 0.04 -0.08 -0.43 -0.04 2.12 1.60 2b7yA1 VAL 38 HG13 0.03 -0.00 -0.25 -0.04 0.97 0.71 2b7yA1 VAL 38 HG23 0.02 0.03 -0.03 -0.04 0.95 0.93 2b7yA1 LYS 39 H 0.02 0.10 0.12 -0.55 8.42 8.10 2b7yA1 LYS 39 HA 0.02 -0.01 0.39 -0.75 4.32 3.96 2b7yA1 LYS 39 HB2 0.01 0.02 0.12 -0.04 1.87 1.98 2b7yA1 LYS 39 HB3 0.01 0.02 0.01 -0.04 1.79 1.79 2b7yA1 LYS 39 HG2 0.01 -0.01 0.06 -0.04 1.46 1.48 2b7yA1 LYS 39 HG3 0.02 -0.01 0.07 -0.04 1.46 1.50 2b7yA1 LYS 39 HD2 0.01 0.01 0.02 -0.04 1.69 1.68 2b7yA1 LYS 39 HD3 0.01 0.01 0.02 -0.04 1.68 1.67 2b7yA1 LYS 39 HE2 0.02 0.00 0.02 -0.04 2.99 2.99 2b7yA1 LYS 39 HE3 0.01 0.01 0.02 -0.04 2.99 2.99 2b7yA1 ASN 40 H 0.01 0.05 0.19 -0.55 8.53 8.24 2b7yA1 ASN 40 HA 0.02 -0.05 0.40 -0.75 4.76 4.38 2b7yA1 ASN 40 HB2 0.01 0.12 -0.21 -0.04 2.88 2.76 2b7yA1 ASN 40 HB3 0.01 0.01 0.16 -0.04 2.79 2.94 2b7yA1 ASN 40 HD21 0.00 0.01 -0.02 -0.04 7.03 6.99 2b7yA1 ASN 40 HD22 0.01 0.05 -0.10 -0.04 7.74 7.65 2b7yA1 THR 41 H 0.03 0.14 0.11 -0.55 8.28 8.02 2b7yA1 THR 41 HA 0.03 0.23 1.03 -0.75 4.39 4.92 2b7yA1 THR 41 HB 0.04 0.07 0.12 -0.04 4.32 4.51 2b7yA1 THR 41 HG23 0.03 0.02 -0.04 -0.04 1.22 1.20 2b7yA1 VAL 42 H 0.03 0.21 0.27 -0.55 8.24 8.21 2b7yA1 VAL 42 HA 0.04 0.19 0.69 -0.75 4.13 4.30 2b7yA1 VAL 42 HB 0.02 -0.08 -0.04 -0.04 2.12 1.97 2b7yA1 VAL 42 HG13 0.01 0.01 -0.15 -0.04 0.97 0.80 2b7yA1 VAL 42 HG23 0.00 0.03 -0.02 -0.04 0.95 0.92 2b7yA1 GLY 43 H 0.05 0.41 0.22 -0.55 8.43 8.56 2b7yA1 GLY 43 HA2 0.07 -0.01 0.82 -0.51 4.01 4.39 2b7yA1 GLY 43 HA3 0.08 0.26 0.45 -0.51 4.01 4.29 2b7yA1 ARG 44 H 0.09 0.64 0.38 -0.55 8.46 9.02 2b7yA1 ARG 44 HA 0.10 0.12 0.79 -0.75 4.34 4.60 2b7yA1 ARG 44 HB2 0.05 -0.07 -0.13 -0.04 1.90 1.70 2b7yA1 ARG 44 HB3 0.09 0.06 -0.17 -0.04 1.80 1.74 2b7yA1 ARG 44 HG2 0.12 0.03 -0.04 -0.04 1.67 1.74 2b7yA1 ARG 44 HG3 -0.01 0.07 -0.15 -0.04 1.67 1.54 2b7yA1 ARG 44 HD2 -0.08 -0.11 -0.13 -0.04 3.22 2.85 2b7yA1 ARG 44 HD3 -0.02 -0.02 -0.25 -0.04 3.22 2.89 2b7yA1 ALA 45 H 0.01 0.27 0.15 -0.55 8.40 8.29 2b7yA1 ALA 45 HA -0.10 0.37 0.81 -0.75 4.34 4.67 2b7yA1 ALA 45 HB3 -0.05 -0.02 -0.11 -0.04 1.41 1.19 2b7yA1 LEU 46 H -0.20 0.50 0.16 -0.55 8.37 8.29 2b7yA1 LEU 46 HA -0.17 0.14 0.94 -0.75 4.35 4.51 2b7yA1 LEU 46 HB2 -0.11 -0.03 0.03 -0.04 1.64 1.49 2b7yA1 LEU 46 HB3 -0.11 0.11 -0.08 -0.04 1.64 1.52 2b7yA1 LEU 46 HG -0.02 0.00 -0.28 -0.04 1.64 1.30 2b7yA1 LEU 46 HD13 -0.01 0.02 -0.16 -0.04 0.93 0.74 2b7yA1 LEU 46 HD23 0.04 0.03 -0.25 -0.04 0.89 0.66 2b7yA1 TYR 47 H 0.01 0.12 0.13 -0.55 8.29 8.00 2b7yA1 TYR 47 HA -0.21 0.04 0.58 -0.75 4.56 4.21 2b7yA1 TYR 47 HB2 -0.07 -0.05 0.15 -0.04 3.06 3.05 2b7yA1 TYR 47 HB3 -0.11 0.11 0.07 -0.04 2.98 3.01 2b7yA1 TYR 47 HD2 -0.29 0.11 -0.00 -0.04 7.15 6.93 2b7yA1 TYR 47 HE2 -0.55 -0.00 -0.01 -0.04 6.85 6.24 2b7yA1 SER 48 H -0.58 0.60 0.39 -0.55 8.46 8.33 2b7yA1 SER 48 HA -0.22 0.04 0.34 -0.75 4.49 3.90 2b7yA1 SER 48 HB2 -0.27 -0.06 -0.26 -0.04 3.95 3.33 2b7yA1 SER 48 HB3 -0.47 -0.02 0.22 -0.04 3.93 3.61 2b7yA1 LEU 49 H -0.72 -0.01 -0.05 -0.55 8.37 7.05 2b7yA1 LEU 49 HA -0.13 0.06 0.63 -0.75 4.35 4.16 2b7yA1 LEU 49 HB2 -0.26 -0.10 0.13 -0.04 1.64 1.37 2b7yA1 LEU 49 HB3 0.14 -0.02 0.07 -0.04 1.64 1.79 2b7yA1 LEU 49 HG -0.02 0.12 0.09 -0.04 1.64 1.79 2b7yA1 LEU 49 HD13 -0.05 -0.03 0.04 -0.04 0.93 0.85 2b7yA1 LEU 49 HD23 0.09 0.02 0.03 -0.04 0.89 0.98 2b7yA1 PRO 50 HA -0.03 0.06 0.55 -0.51 4.44 4.52 2b7yA1 PRO 50 HB2 -0.04 -0.04 -0.07 -0.04 2.28 2.09 2b7yA1 PRO 50 HB3 -0.05 -0.04 0.09 -0.04 2.02 1.97 2b7yA1 PRO 50 HG2 -0.06 -0.03 0.11 -0.04 2.03 2.01 2b7yA1 PRO 50 HG3 -0.06 0.07 0.15 -0.04 2.03 2.14 2b7yA1 PRO 50 HD2 -0.08 -0.03 0.33 -0.04 3.68 3.85 2b7yA1 PRO 50 HD3 -0.09 0.51 0.32 -0.04 3.65 4.36 2b7yA1 ILE 51 H -0.02 0.16 0.09 -0.55 8.25 7.93 2b7yA1 ILE 51 HA 0.05 0.12 0.75 -0.75 4.18 4.34 2b7yA1 ILE 51 HB 0.08 0.17 -0.28 -0.04 1.89 1.82 2b7yA1 ILE 51 HG12 0.02 0.01 -0.54 -0.04 1.49 0.93 2b7yA1 ILE 51 HG13 0.04 0.00 -0.13 -0.04 1.21 1.09 2b7yA1 ILE 51 HG23 -0.01 -0.02 0.00 -0.04 0.93 0.86 2b7yA1 ILE 51 HD13 -0.09 -0.02 -0.13 -0.04 0.88 0.60 2b7yA1 HIS 52 H 0.12 0.24 0.04 -0.55 8.41 8.26 2b7yA1 HIS 52 HA -0.10 0.03 0.26 -0.75 4.63 4.06 2b7yA1 HIS 52 HB2 -0.04 0.02 0.07 -0.04 3.26 3.27 2b7yA1 HIS 52 HB3 -0.01 0.11 0.18 -0.04 3.20 3.43 2b7yA1 HIS 52 HD2 -0.26 -0.05 0.06 -0.04 6.97 6.68 2b7yA1 HIS 52 HE1 -0.04 -0.09 -0.02 -0.04 7.75 7.55 2b7yA1 ILE 53 H -0.01 0.23 0.32 -0.55 8.25 8.24 2b7yA1 ILE 53 HA 0.05 0.05 0.29 -0.75 4.18 3.81 2b7yA1 ILE 53 HB 0.07 0.01 0.14 -0.04 1.89 2.07 2b7yA1 ILE 53 HG12 -0.05 0.06 -0.08 -0.04 1.49 1.38 2b7yA1 ILE 53 HG13 -0.05 0.02 0.02 -0.04 1.21 1.15 2b7yA1 ILE 53 HG23 0.23 -0.01 -0.04 -0.04 0.93 1.07 2b7yA1 ILE 53 HD13 -0.19 -0.01 -0.06 -0.04 0.88 0.58 2b7yA1 TRP 54 H -0.29 0.21 -0.17 -0.55 7.97 7.16 2b7yA1 TRP 54 HA -0.12 0.20 0.63 -0.75 4.62 4.58 2b7yA1 TRP 54 HB2 -0.00 0.08 0.01 -0.04 3.23 3.28 2b7yA1 TRP 54 HB3 0.00 0.19 -0.04 -0.04 3.23 3.34 2b7yA1 TRP 54 HD1 -0.00 0.01 -0.18 -0.04 7.22 7.00 2b7yA1 TRP 54 HE1 0.02 0.02 -0.06 -0.04 10.20 10.14 2b7yA1 TRP 54 HE3 0.02 0.02 -0.53 -0.04 7.59 7.07 2b7yA1 TRP 54 HZ2 0.03 0.02 -0.04 -0.04 7.44 7.40 2b7yA1 TRP 54 HZ3 0.04 -0.04 -0.13 -0.04 7.13 6.95 2b7yA1 TRP 54 HH2 0.03 0.00 -0.05 -0.04 7.19 7.14 2b7yA1 ASP 55 H 0.30 0.61 0.12 -0.55 8.40 8.88 2b7yA1 ASP 55 HA 0.06 0.20 1.15 -0.75 4.63 5.29 2b7yA1 ASP 55 HB2 -0.15 0.15 -0.16 -0.04 2.71 2.51 2b7yA1 ASP 55 HB3 0.06 -0.00 0.15 -0.04 2.70 2.86 2b7yA1 SER 56 H 0.07 0.24 0.17 -0.55 8.46 8.39 2b7yA1 SER 56 HA 0.40 0.13 0.34 -0.75 4.49 4.61 2b7yA1 SER 56 HB2 0.18 0.06 0.00 -0.04 3.95 4.15 2b7yA1 SER 56 HB3 0.26 0.04 0.09 -0.04 3.93 4.28 2b7yA1 GLU 57 H 0.10 0.02 -0.11 -0.55 8.60 8.07 2b7yA1 GLU 57 HA 0.06 0.07 0.36 -0.75 4.29 4.03 2b7yA1 GLU 57 HB2 0.08 -0.06 0.09 -0.04 2.09 2.16 2b7yA1 GLU 57 HB3 0.07 0.04 -0.06 -0.04 1.99 2.00 2b7yA1 GLU 57 HG2 0.04 0.00 0.03 -0.04 2.34 2.36 2b7yA1 GLU 57 HG3 0.04 0.03 -0.01 -0.04 2.34 2.35 2b7yA1 THR 58 H 0.11 0.01 -0.39 -0.55 8.28 7.46 2b7yA1 THR 58 HA 0.06 0.19 0.76 -0.75 4.39 4.65 2b7yA1 THR 58 HB 0.05 0.01 0.01 -0.04 4.32 4.36 2b7yA1 THR 58 HG23 0.05 -0.00 -0.11 -0.04 1.22 1.12 2b7yA1 GLY 59 H 0.15 0.76 0.23 -0.55 8.43 9.02 2b7yA1 GLY 59 HA2 0.14 -0.02 0.36 -0.51 4.01 3.97 2b7yA1 GLY 59 HA3 0.07 0.18 0.89 -0.51 4.01 4.64 2b7yA1 ASN 60 H 0.09 -0.00 -0.12 -0.55 8.53 7.95 2b7yA1 ASN 60 HA 0.06 0.11 0.46 -0.75 4.76 4.64 2b7yA1 ASN 60 HB2 0.06 -0.02 -0.08 -0.04 2.88 2.80 2b7yA1 ASN 60 HB3 0.06 0.07 0.04 -0.04 2.79 2.92 2b7yA1 ASN 60 HD21 0.03 -0.00 -0.02 -0.04 7.03 7.00 2b7yA1 ASN 60 HD22 0.04 0.02 -0.02 -0.04 7.74 7.74 2b7yA1 VAL 61 H 0.10 0.18 0.24 -0.55 8.24 8.21 2b7yA1 VAL 61 HA 0.24 0.12 0.95 -0.75 4.13 4.69 2b7yA1 VAL 61 HB 0.12 -0.03 0.16 -0.04 2.12 2.34 2b7yA1 VAL 61 HG13 0.30 0.09 -0.09 -0.04 0.97 1.22 2b7yA1 VAL 61 HG23 0.20 0.01 0.10 -0.04 0.95 1.22 2b7yA1 ALA 62 H 0.19 0.58 0.16 -0.55 8.40 8.78 2b7yA1 ALA 62 HA 0.13 0.02 0.58 -0.75 4.34 4.31 2b7yA1 ALA 62 HB3 0.17 0.03 0.01 -0.04 1.41 1.58 2b7yA1 ASP 63 H 0.14 0.15 0.23 -0.55 8.40 8.36 2b7yA1 ASP 63 HA 0.38 0.21 0.47 -0.75 4.63 4.94 2b7yA1 ASP 63 HB2 -0.05 0.35 0.31 -0.04 2.71 3.28 2b7yA1 ASP 63 HB3 -0.04 -0.24 0.21 -0.04 2.70 2.59 2b7yA1 PHE 64 H -0.33 0.27 0.27 -0.55 8.34 8.00 2b7yA1 PHE 64 HA 0.04 0.19 0.94 -0.75 4.62 5.04 2b7yA1 PHE 64 HB2 0.04 0.02 0.02 -0.04 3.15 3.19 2b7yA1 PHE 64 HB3 0.07 0.05 -0.25 -0.04 3.06 2.89 2b7yA1 PHE 64 HD2 0.09 0.02 -0.30 -0.04 7.28 7.05 2b7yA1 PHE 64 HE2 -0.08 0.02 -0.14 -0.04 7.38 7.14 2b7yA1 PHE 64 HZ 0.01 0.01 -0.14 -0.04 7.32 7.16 2b7yA1 THR 65 H 0.16 0.25 0.19 -0.55 8.28 8.33 2b7yA1 THR 65 HA -0.02 0.35 1.11 -0.75 4.39 5.07 2b7yA1 THR 65 HB -0.02 -0.02 0.17 -0.04 4.32 4.42 2b7yA1 THR 65 HG23 -0.05 0.01 -0.10 -0.04 1.22 1.03 2b7yA1 THR 66 H 0.01 0.60 0.37 -0.55 8.28 8.71 2b7yA1 THR 66 HA -0.08 0.26 1.15 -0.75 4.39 4.97 2b7yA1 THR 66 HB -0.04 0.00 -0.08 -0.04 4.32 4.16 2b7yA1 THR 66 HG23 -0.51 0.01 -0.07 -0.04 1.22 0.61 2b7yA1 THR 67 H 0.00 0.24 0.20 -0.55 8.28 8.17 2b7yA1 THR 67 HA -0.10 0.25 1.08 -0.75 4.39 4.86 2b7yA1 THR 67 HB -0.05 -0.04 -0.01 -0.04 4.32 4.17 2b7yA1 THR 67 HG23 -0.04 -0.00 -0.17 -0.04 1.22 0.97 2b7yA1 PHE 68 H -0.49 0.41 0.33 -0.55 8.34 8.04 2b7yA1 PHE 68 HA 0.08 0.23 0.91 -0.75 4.62 5.09 2b7yA1 PHE 68 HB2 0.16 0.08 -0.01 -0.04 3.15 3.34 2b7yA1 PHE 68 HB3 0.12 0.06 -0.08 -0.04 3.06 3.12 2b7yA1 PHE 68 HD2 0.03 -0.04 -0.37 -0.04 7.28 6.86 2b7yA1 PHE 68 HE2 -0.32 -0.02 -0.17 -0.04 7.38 6.84 2b7yA1 PHE 68 HZ 0.12 -0.02 -0.13 -0.04 7.32 7.24 2b7yA1 ILE 69 H 0.29 0.25 0.23 -0.55 8.25 8.46 2b7yA1 ILE 69 HA 0.10 0.47 1.04 -0.75 4.18 5.04 2b7yA1 ILE 69 HB 0.15 -0.02 0.14 -0.04 1.89 2.12 2b7yA1 ILE 69 HG12 0.25 0.03 -0.03 -0.04 1.49 1.70 2b7yA1 ILE 69 HG13 0.14 -0.09 -0.32 -0.04 1.21 0.90 2b7yA1 ILE 69 HG23 0.01 -0.00 -0.16 -0.04 0.93 0.74 2b7yA1 ILE 69 HD13 0.13 -0.00 -0.03 -0.04 0.88 0.94 2b7yA1 PHE 70 H 0.21 0.36 0.18 -0.55 8.34 8.53 2b7yA1 PHE 70 HA -0.03 0.22 0.77 -0.75 4.62 4.82 2b7yA1 PHE 70 HB2 -0.50 0.00 0.09 -0.04 3.15 2.70 2b7yA1 PHE 70 HB3 -0.13 0.01 -0.08 -0.04 3.06 2.82 2b7yA1 PHE 70 HD2 -0.46 0.04 -0.16 -0.04 7.28 6.65 2b7yA1 PHE 70 HE2 -0.33 0.01 -0.16 -0.04 7.38 6.85 2b7yA1 PHE 70 HZ -0.31 0.01 -0.14 -0.04 7.32 6.84 2b7yA1 VAL 71 H -0.03 0.22 0.13 -0.55 8.24 8.02 2b7yA1 VAL 71 HA -0.32 0.26 0.75 -0.75 4.13 4.07 2b7yA1 VAL 71 HB -0.04 -0.03 0.00 -0.04 2.12 2.01 2b7yA1 VAL 71 HG13 -0.04 -0.02 -0.39 -0.04 0.97 0.48 2b7yA1 VAL 71 HG23 -0.08 0.03 -0.39 -0.04 0.95 0.48 2b7yA1 ILE 72 H -0.12 0.29 0.02 -0.55 8.25 7.89 2b7yA1 ILE 72 HA 0.06 0.24 1.01 -0.75 4.18 4.73 2b7yA1 ILE 72 HB 0.11 0.00 0.07 -0.04 1.89 2.03 2b7yA1 ILE 72 HG12 0.22 0.07 -0.12 -0.04 1.49 1.62 2b7yA1 ILE 72 HG13 0.26 -0.04 -0.38 -0.04 1.21 1.01 2b7yA1 ILE 72 HG23 0.13 -0.01 -0.28 -0.04 0.93 0.74 2b7yA1 ILE 72 HD13 0.47 -0.00 -0.15 -0.04 0.88 1.15 2b7yA1 ASP 73 H 0.03 0.29 -0.01 -0.55 8.40 8.16 2b7yA1 ASP 73 HA -0.01 0.02 0.67 -0.75 4.63 4.56 2b7yA1 ASP 73 HB2 -0.00 -0.01 -0.05 -0.04 2.71 2.61 2b7yA1 ASP 73 HB3 0.01 0.03 0.12 -0.04 2.70 2.82 2b7yA1 ALA 74 H -0.01 0.19 0.12 -0.55 8.40 8.16 2b7yA1 ALA 74 HA 0.03 0.21 0.72 -0.75 4.34 4.54 2b7yA1 ALA 74 HB3 0.02 0.01 -0.15 -0.04 1.41 1.25 2b7yA1 PRO 75 HA -0.01 0.08 0.41 -0.51 4.44 4.41 2b7yA1 PRO 75 HB2 0.01 -0.01 0.08 -0.04 2.28 2.32 2b7yA1 PRO 75 HB3 0.01 0.05 0.09 -0.04 2.02 2.12 2b7yA1 PRO 75 HG2 0.02 0.04 0.10 -0.04 2.03 2.15 2b7yA1 PRO 75 HG3 0.02 0.07 0.12 -0.04 2.03 2.19 2b7yA1 PRO 75 HD2 0.03 0.10 0.23 -0.04 3.68 3.99 2b7yA1 PRO 75 HD3 0.02 0.24 0.27 -0.04 3.65 4.14 2b7yA1 ASN 76 H 0.01 0.18 -0.14 -0.55 8.53 8.03 2b7yA1 ASN 76 HA -0.07 0.29 1.07 -0.75 4.76 5.29 2b7yA1 ASN 76 HB2 0.00 0.06 -0.02 -0.04 2.88 2.89 2b7yA1 ASN 76 HB3 0.03 -0.04 0.20 -0.04 2.79 2.95 2b7yA1 ASN 76 HD21 -0.19 0.03 -0.01 -0.04 7.03 6.82 2b7yA1 ASN 76 HD22 -0.12 0.13 0.13 -0.04 7.74 7.85 2b7yA1 GLY 77 H -0.13 0.29 -0.05 -0.55 8.43 7.99 2b7yA1 GLY 77 HA2 -0.08 0.02 0.26 -0.51 4.01 3.69 2b7yA1 GLY 77 HA3 -0.21 0.05 0.27 -0.51 4.01 3.61 2b7yA1 TYR 78 H -0.06 -0.04 -0.97 -0.55 8.29 6.68 2b7yA1 TYR 78 HA -0.00 0.19 0.92 -0.75 4.56 4.91 2b7yA1 TYR 78 HB2 0.01 -0.07 0.08 -0.04 3.06 3.04 2b7yA1 TYR 78 HB3 0.01 0.01 -0.01 -0.04 2.98 2.95 2b7yA1 TYR 78 HD2 -0.01 0.06 -0.03 -0.04 7.15 7.13 2b7yA1 TYR 78 HE2 -0.02 0.01 -0.03 -0.04 6.85 6.77 2b7yA1 ASN 79 H 0.14 0.14 0.12 -0.55 8.53 8.38 2b7yA1 ASN 79 HA 0.16 0.19 0.76 -0.75 4.76 5.12 2b7yA1 ASN 79 HB2 0.10 -0.05 0.27 -0.04 2.88 3.16 2b7yA1 ASN 79 HB3 0.12 0.01 0.10 -0.04 2.79 2.98 2b7yA1 ASN 79 HD21 0.10 0.01 0.02 -0.04 7.03 7.12 2b7yA1 ASN 79 HD22 0.08 -0.01 0.06 -0.04 7.74 7.83 2b7yA1 VAL 80 H 0.15 0.41 0.02 -0.55 8.24 8.27 2b7yA1 VAL 80 HA 0.10 0.14 0.81 -0.75 4.13 4.42 2b7yA1 VAL 80 HB 0.09 -0.07 -0.01 -0.04 2.12 2.09 2b7yA1 VAL 80 HG13 0.05 0.02 -0.43 -0.04 0.97 0.57 2b7yA1 VAL 80 HG23 0.11 0.01 -0.22 -0.04 0.95 0.81 2b7yA1 ALA 81 H 0.12 0.36 0.14 -0.55 8.40 8.48 2b7yA1 ALA 81 HA 0.24 0.09 0.13 -0.75 4.34 4.05 2b7yA1 ALA 81 HB3 -0.03 0.03 -0.02 -0.04 1.41 1.35 2b7yA1 ASP 82 H 0.13 -0.02 0.18 -0.55 8.40 8.15 2b7yA1 ASP 82 HA 0.16 0.06 0.30 -0.75 4.63 4.40 2b7yA1 ASP 82 HB2 0.06 0.03 -0.01 -0.04 2.71 2.74 2b7yA1 ASP 82 HB3 0.12 0.19 -0.24 -0.04 2.70 2.74 2b7yA1 GLY 83 H 0.19 0.02 0.21 -0.55 8.43 8.29 2b7yA1 GLY 83 HA2 0.33 0.07 0.23 -0.51 4.01 4.13 2b7yA1 GLY 83 HA3 0.27 0.18 0.81 -0.51 4.01 4.76 2b7yA1 PHE 84 H 0.40 0.51 0.29 -0.55 8.34 8.99 2b7yA1 PHE 84 HA 0.09 0.19 0.74 -0.75 4.62 4.90 2b7yA1 PHE 84 HB2 0.13 0.02 -0.17 -0.04 3.15 3.09 2b7yA1 PHE 84 HB3 0.11 0.02 -0.00 -0.04 3.06 3.14 2b7yA1 PHE 84 HD2 -0.38 -0.00 -0.14 -0.04 7.28 6.72 2b7yA1 PHE 84 HE2 -0.46 0.02 -0.10 -0.04 7.38 6.79 2b7yA1 PHE 84 HZ -0.58 0.03 -0.12 -0.04 7.32 6.60 2b7yA1 THR 85 H -1.57 0.21 0.10 -0.55 8.28 6.47 2b7yA1 THR 85 HA 0.03 0.22 0.99 -0.75 4.39 4.88 2b7yA1 THR 85 HB 0.03 -0.03 -0.76 -0.04 4.32 3.52 2b7yA1 THR 85 HG23 -0.02 0.01 -0.15 -0.04 1.22 1.03 2b7yA1 PHE 86 H 0.19 0.50 0.36 -0.55 8.34 8.83 2b7yA1 PHE 86 HA -0.31 0.18 0.96 -0.75 4.62 4.69 2b7yA1 PHE 86 HB2 -0.33 -0.01 0.03 -0.04 3.15 2.79 2b7yA1 PHE 86 HB3 0.11 -0.05 0.12 -0.04 3.06 3.20 2b7yA1 PHE 86 HD2 -0.12 -0.04 -0.12 -0.04 7.28 6.96 2b7yA1 PHE 86 HE2 -0.02 -0.01 -0.10 -0.04 7.38 7.21 2b7yA1 PHE 86 HZ -0.11 -0.00 -0.08 -0.04 7.32 7.08 2b7yA1 PHE 87 H -1.22 0.29 0.23 -0.55 8.34 7.08 2b7yA1 PHE 87 HA -0.27 0.23 1.13 -0.75 4.62 4.96 2b7yA1 PHE 87 HB2 -0.24 0.05 -0.08 -0.04 3.15 2.85 2b7yA1 PHE 87 HB3 -0.22 -0.02 -0.42 -0.04 3.06 2.36 2b7yA1 PHE 87 HD2 -0.25 0.01 -0.28 -0.04 7.28 6.72 2b7yA1 PHE 87 HE2 -0.18 -0.01 -0.08 -0.04 7.38 7.06 2b7yA1 PHE 87 HZ -0.15 -0.01 -0.15 -0.04 7.32 6.97 2b7yA1 ILE 88 H -0.01 0.71 0.34 -0.55 8.25 8.75 2b7yA1 ILE 88 HA -0.26 0.14 0.87 -0.75 4.18 4.18 2b7yA1 ILE 88 HB -0.04 -0.05 0.15 -0.04 1.89 1.90 2b7yA1 ILE 88 HG12 -0.30 0.07 -0.31 -0.04 1.49 0.91 2b7yA1 ILE 88 HG13 -0.02 0.01 -0.13 -0.04 1.21 1.03 2b7yA1 ILE 88 HG23 -0.14 0.02 -0.04 -0.04 0.93 0.73 2b7yA1 ILE 88 HD13 -0.03 -0.01 -0.10 -0.04 0.88 0.71 2b7yA1 ALA 89 H -0.05 0.41 0.26 -0.55 8.40 8.47 2b7yA1 ALA 89 HA -0.01 0.16 0.60 -0.75 4.34 4.34 2b7yA1 ALA 89 HB3 0.10 0.01 -0.13 -0.04 1.41 1.34 2b7yA1 PRO 90 HA -0.02 0.13 0.63 -0.51 4.44 4.67 2b7yA1 PRO 90 HB2 -0.03 -0.04 -0.03 -0.04 2.28 2.13 2b7yA1 PRO 90 HB3 -0.02 0.04 0.14 -0.04 2.02 2.14 2b7yA1 PRO 90 HG2 -0.03 -0.04 0.14 -0.04 2.03 2.06 2b7yA1 PRO 90 HG3 -0.00 0.22 0.17 -0.04 2.03 2.38 2b7yA1 PRO 90 HD2 -0.05 0.05 0.15 -0.04 3.68 3.78 2b7yA1 PRO 90 HD3 -0.04 0.18 0.09 -0.04 3.65 3.84 2b7yA1 VAL 91 H -0.04 0.13 0.18 -0.55 8.24 7.96 2b7yA1 VAL 91 HA -0.04 0.14 0.00 -0.75 4.13 3.47 2b7yA1 VAL 91 HB -0.05 -0.05 0.21 -0.04 2.12 2.19 2b7yA1 VAL 91 HG13 -0.05 0.00 -0.09 -0.04 0.97 0.80 2b7yA1 VAL 91 HG23 -0.05 0.02 0.13 -0.04 0.95 1.00 2b7yA1 ASP 92 H -0.04 0.01 -0.46 -0.55 8.40 7.37 2b7yA1 ASP 92 HA -0.04 0.26 0.76 -0.75 4.63 4.87 2b7yA1 ASP 92 HB2 -0.03 0.02 0.16 -0.04 2.71 2.82 2b7yA1 ASP 92 HB3 -0.04 0.04 -0.14 -0.04 2.70 2.52 2b7yA1 THR 93 H -0.03 0.40 0.05 -0.55 8.28 8.15 2b7yA1 THR 93 HA -0.07 -0.05 0.43 -0.75 4.39 3.96 2b7yA1 THR 93 HB -0.12 0.12 -0.12 -0.04 4.32 4.16 2b7yA1 THR 93 HG23 -0.08 0.03 0.02 -0.04 1.22 1.15 2b7yA1 LYS 94 H -0.09 0.15 0.12 -0.55 8.42 8.04 2b7yA1 LYS 94 HA -0.05 0.20 0.65 -0.75 4.32 4.36 2b7yA1 LYS 94 HB2 -0.06 0.04 -0.06 -0.04 1.87 1.76 2b7yA1 LYS 94 HB3 -0.04 -0.02 0.11 -0.04 1.79 1.80 2b7yA1 LYS 94 HG2 -0.05 0.07 -0.50 -0.04 1.46 0.95 2b7yA1 LYS 94 HG3 -0.05 -0.06 -0.06 -0.04 1.46 1.24 2b7yA1 LYS 94 HD2 -0.03 -0.04 -0.05 -0.04 1.69 1.53 2b7yA1 LYS 94 HD3 -0.03 -0.05 -0.02 -0.04 1.68 1.54 2b7yA1 LYS 94 HE2 -0.02 0.01 -0.01 -0.04 2.99 2.93 2b7yA1 LYS 94 HE3 -0.03 0.15 -0.13 -0.04 2.99 2.94 2b7yA1 PRO 95 HA -0.13 0.16 0.46 -0.51 4.44 4.42 2b7yA1 PRO 95 HB2 -0.05 -0.02 0.04 -0.04 2.28 2.21 2b7yA1 PRO 95 HB3 -0.04 -0.01 -0.00 -0.04 2.02 1.92 2b7yA1 PRO 95 HG2 -0.02 -0.02 0.03 -0.04 2.03 1.98 2b7yA1 PRO 95 HG3 -0.02 0.02 -0.08 -0.04 2.03 1.92 2b7yA1 PRO 95 HD2 -0.03 0.09 0.17 -0.04 3.68 3.86 2b7yA1 PRO 95 HD3 -0.03 0.18 0.03 -0.04 3.65 3.79 2b7yA1 GLN 96 H -0.20 0.50 -0.08 -0.55 8.47 8.14 2b7yA1 GLN 96 HA -0.12 0.11 0.52 -0.75 4.36 4.11 2b7yA1 GLN 96 HB2 -0.21 -0.13 -0.75 -0.04 2.15 1.03 2b7yA1 GLN 96 HB3 -0.15 -0.14 -0.34 -0.04 2.02 1.35 2b7yA1 GLN 96 HG2 -0.29 0.16 -0.21 -0.04 2.40 2.02 2b7yA1 GLN 96 HG3 -0.27 0.13 -0.42 -0.04 2.39 1.80 2b7yA1 GLN 96 HE21 -0.11 -0.09 -0.23 -0.04 6.97 6.51 2b7yA1 GLN 96 HE22 -0.15 0.44 -0.59 -0.04 7.69 7.34 2b7yA1 THR 97 H -0.14 0.14 -0.03 -0.55 8.28 7.70 2b7yA1 THR 97 HA -0.06 -0.01 0.32 -0.75 4.39 3.89 2b7yA1 THR 97 HB -0.30 0.10 0.15 -0.04 4.32 4.22 2b7yA1 THR 97 HG23 -0.06 0.00 -0.05 -0.04 1.22 1.07 2b7yA1 GLY 98 H 0.02 0.09 0.07 -0.55 8.43 8.07 2b7yA1 GLY 98 HA2 0.06 0.03 0.47 -0.51 4.01 4.06 2b7yA1 GLY 98 HA3 0.05 0.02 0.31 -0.51 4.01 3.88 2b7yA1 GLY 99 H 0.06 0.17 0.06 -0.55 8.43 8.18 2b7yA1 GLY 99 HA2 0.04 0.07 0.29 -0.51 4.01 3.90 2b7yA1 GLY 99 HA3 0.08 0.01 0.48 -0.51 4.01 4.07 2b7yA1 GLY 100 H 0.12 0.11 0.14 -0.55 8.43 8.26 2b7yA1 GLY 100 HA2 0.25 0.07 0.38 -0.51 4.01 4.20 2b7yA1 GLY 100 HA3 0.35 0.01 0.29 -0.51 4.01 4.16 2b7yA1 TYR 101 H 0.27 0.61 -0.50 -0.55 8.29 8.12 2b7yA1 TYR 101 HA -0.01 0.14 0.53 -0.75 4.56 4.46 2b7yA1 TYR 101 HB2 -0.02 0.28 -0.12 -0.04 3.06 3.17 2b7yA1 TYR 101 HB3 -0.01 -0.16 -0.09 -0.04 2.98 2.68 2b7yA1 TYR 101 HD2 -0.10 0.04 -0.31 -0.04 7.15 6.74 2b7yA1 TYR 101 HE2 -0.16 -0.13 -0.28 -0.04 6.85 6.24 2b7yA1 LEU 102 H 0.13 0.59 -0.46 -0.55 8.37 8.09 2b7yA1 LEU 102 HA 0.08 0.01 0.14 -0.75 4.35 3.83 2b7yA1 LEU 102 HB2 0.07 0.06 -0.21 -0.04 1.64 1.52 2b7yA1 LEU 102 HB3 0.07 -0.01 -0.11 -0.04 1.64 1.56 2b7yA1 LEU 102 HG 0.15 0.08 -0.54 -0.04 1.64 1.29 2b7yA1 LEU 102 HD13 0.16 -0.00 -0.24 -0.04 0.93 0.80 2b7yA1 LEU 102 HD23 0.17 0.01 -0.35 -0.04 0.89 0.68 2b7yA1 GLY 103 H 0.04 0.24 -0.26 -0.55 8.43 7.90 2b7yA1 GLY 103 HA2 -0.07 0.24 -0.25 -0.51 4.01 3.42 2b7yA1 GLY 103 HA3 -0.09 -0.03 0.35 -0.51 4.01 3.73 2b7yA1 VAL 104 H -0.13 0.41 -0.28 -0.55 8.24 7.69 2b7yA1 VAL 104 HA -0.58 0.20 0.90 -0.75 4.13 3.89 2b7yA1 VAL 104 HB -1.13 -0.08 -0.19 -0.04 2.12 0.68 2b7yA1 VAL 104 HG13 -0.88 0.01 -0.25 -0.04 0.97 -0.18 2b7yA1 VAL 104 HG23 -0.11 0.04 -0.23 -0.04 0.95 0.61 2b7yA1 PHE 105 H -0.00 0.34 0.11 -0.55 8.34 8.24 2b7yA1 PHE 105 HA -0.12 0.23 0.79 -0.75 4.62 4.76 2b7yA1 PHE 105 HB2 0.02 0.03 -0.12 -0.04 3.15 3.04 2b7yA1 PHE 105 HB3 -0.06 -0.17 -0.00 -0.04 3.06 2.79 2b7yA1 PHE 105 HD2 -0.08 0.04 -0.23 -0.04 7.28 6.97 2b7yA1 PHE 105 HE2 -0.07 -0.02 -0.17 -0.04 7.38 7.08 2b7yA1 PHE 105 HZ -0.05 -0.01 -0.37 -0.04 7.32 6.84 2b7yA1 ASN 106 H 0.00 0.09 0.18 -0.55 8.53 8.26 2b7yA1 ASN 106 HA -0.71 0.15 0.61 -0.75 4.76 4.06 2b7yA1 ASN 106 HB2 -0.18 0.05 0.02 -0.04 2.88 2.72 2b7yA1 ASN 106 HB3 -0.28 0.01 0.15 -0.04 2.79 2.63 2b7yA1 ASN 106 HD21 -0.11 0.10 -0.14 -0.04 7.03 6.83 2b7yA1 ASN 106 HD22 -0.09 0.03 -0.02 -0.04 7.74 7.62 2b7yA1 GLY 107 H -0.02 0.04 0.15 -0.55 8.43 8.06 2b7yA1 GLY 107 HA2 -0.04 0.22 1.04 -0.51 4.01 4.72 2b7yA1 GLY 107 HA3 -0.05 0.09 0.29 -0.51 4.01 3.83 2b7yA1 LYS 108 H 0.04 0.21 0.10 -0.55 8.42 8.21 2b7yA1 LYS 108 HA -0.20 0.02 0.56 -0.75 4.32 3.95 2b7yA1 LYS 108 HB2 0.07 0.09 0.09 -0.04 1.87 2.08 2b7yA1 LYS 108 HB3 0.06 0.01 0.04 -0.04 1.79 1.86 2b7yA1 LYS 108 HG2 0.18 0.04 0.00 -0.04 1.46 1.64 2b7yA1 LYS 108 HG3 0.09 -0.09 0.11 -0.04 1.46 1.53 2b7yA1 LYS 108 HD2 0.07 -0.01 -0.02 -0.04 1.69 1.69 2b7yA1 LYS 108 HD3 0.05 0.01 -0.19 -0.04 1.68 1.50 2b7yA1 LYS 108 HE2 0.09 -0.00 -0.01 -0.04 2.99 3.02 2b7yA1 LYS 108 HE3 0.06 -0.00 -0.05 -0.04 2.99 2.96 2b7yA1 ASP 109 H -0.03 -0.07 -0.63 -0.55 8.40 7.12 2b7yA1 ASP 109 HA 0.02 0.20 0.81 -0.75 4.63 4.91 2b7yA1 ASP 109 HB2 0.00 -0.07 -0.00 -0.04 2.71 2.59 2b7yA1 ASP 109 HB3 0.03 0.11 -0.15 -0.04 2.70 2.65 2b7yA1 TYR 110 H 0.12 0.13 0.15 -0.55 8.29 8.14 2b7yA1 TYR 110 HA -0.04 0.25 0.46 -0.75 4.56 4.46 2b7yA1 TYR 110 HB2 -0.03 0.04 0.15 -0.04 3.06 3.19 2b7yA1 TYR 110 HB3 -0.01 -0.06 0.19 -0.04 2.98 3.06 2b7yA1 TYR 110 HD2 -0.01 -0.00 -0.06 -0.04 7.15 7.03 2b7yA1 TYR 110 HE2 0.00 -0.01 -0.05 -0.04 6.85 6.75 2b7yA1 ASP 111 H -0.33 0.54 0.32 -0.55 8.40 8.38 2b7yA1 ASP 111 HA -0.05 0.09 0.82 -0.75 4.63 4.73 2b7yA1 ASP 111 HB2 -0.05 0.03 0.04 -0.04 2.71 2.69 2b7yA1 ASP 111 HB3 -0.08 0.11 0.29 -0.04 2.70 2.98 2b7yA1 LYS 112 H -0.09 0.23 -0.14 -0.55 8.42 7.86 2b7yA1 LYS 112 HA -0.27 0.04 0.25 -0.75 4.32 3.59 2b7yA1 LYS 112 HB2 0.28 0.01 0.07 -0.04 1.87 2.19 2b7yA1 LYS 112 HB3 0.10 -0.04 0.08 -0.04 1.79 1.89 2b7yA1 LYS 112 HG2 0.04 -0.03 -0.20 -0.04 1.46 1.23 2b7yA1 LYS 112 HG3 0.03 0.06 -0.12 -0.04 1.46 1.39 2b7yA1 LYS 112 HD2 0.06 -0.00 -0.04 -0.04 1.69 1.66 2b7yA1 LYS 112 HD3 0.11 0.01 -0.02 -0.04 1.68 1.74 2b7yA1 LYS 112 HE2 0.07 -0.00 -0.02 -0.04 2.99 3.00 2b7yA1 LYS 112 HE3 0.13 -0.00 -0.00 -0.04 2.99 3.07 2b7yA1 THR 113 H -0.04 -0.08 -0.57 -0.55 8.28 7.04 2b7yA1 THR 113 HA -0.01 0.00 0.09 -0.75 4.39 3.72 2b7yA1 THR 113 HB -0.01 -0.04 0.07 -0.04 4.32 4.29 2b7yA1 THR 113 HG23 -0.03 0.06 0.07 -0.04 1.22 1.28 2b7yA1 ALA 114 H -0.05 0.03 0.08 -0.55 8.40 7.92 2b7yA1 ALA 114 HA -0.05 -0.01 0.56 -0.75 4.34 4.08 2b7yA1 ALA 114 HB3 -0.06 -0.00 0.13 -0.04 1.41 1.43 2b7yA1 GLN 115 H -0.04 0.05 0.20 -0.55 8.47 8.13 2b7yA1 GLN 115 HA -0.02 0.18 0.47 -0.75 4.36 4.23 2b7yA1 GLN 115 HB2 0.03 -0.09 0.09 -0.04 2.15 2.14 2b7yA1 GLN 115 HB3 0.00 0.31 0.04 -0.04 2.02 2.33 2b7yA1 GLN 115 HG2 -0.01 0.06 0.31 -0.04 2.40 2.72 2b7yA1 GLN 115 HG3 0.01 -0.11 0.26 -0.04 2.39 2.51 2b7yA1 GLN 115 HE21 0.04 -0.05 0.05 -0.04 6.97 6.97 2b7yA1 GLN 115 HE22 0.01 -0.03 0.10 -0.04 7.69 7.72 2b7yA1 THR 116 H 0.03 0.28 0.31 -0.55 8.28 8.35 2b7yA1 THR 116 HA 0.00 0.30 1.10 -0.75 4.39 5.04 2b7yA1 THR 116 HB -0.10 0.02 -0.10 -0.04 4.32 4.10 2b7yA1 THR 116 HG23 -0.20 0.02 -0.23 -0.04 1.22 0.77 2b7yA1 VAL 117 H 0.05 0.68 0.44 -0.55 8.24 8.86 2b7yA1 VAL 117 HA 0.20 0.16 1.03 -0.75 4.13 4.77 2b7yA1 VAL 117 HB 0.09 -0.03 0.19 -0.04 2.12 2.33 2b7yA1 VAL 117 HG13 0.05 -0.01 0.06 -0.04 0.97 1.03 2b7yA1 VAL 117 HG23 0.12 0.00 -0.11 -0.04 0.95 0.92 2b7yA1 ALA 118 H 0.18 0.77 0.40 -0.55 8.40 9.21 2b7yA1 ALA 118 HA 0.14 0.22 1.06 -0.75 4.34 5.01 2b7yA1 ALA 118 HB3 0.19 0.00 -0.24 -0.04 1.41 1.32 2b7yA1 VAL 119 H 0.20 0.89 0.41 -0.55 8.24 9.19 2b7yA1 VAL 119 HA 0.02 0.28 1.04 -0.75 4.13 4.71 2b7yA1 VAL 119 HB 0.31 0.00 0.17 -0.04 2.12 2.56 2b7yA1 VAL 119 HG13 -0.03 -0.03 -0.16 -0.04 0.97 0.71 2b7yA1 VAL 119 HG23 0.11 -0.00 -0.11 -0.04 0.95 0.91 2b7yA1 GLU 120 H -0.12 0.68 0.38 -0.55 8.60 9.00 2b7yA1 GLU 120 HA 0.09 0.21 1.08 -0.75 4.29 4.91 2b7yA1 GLU 120 HB2 0.11 0.04 -0.08 -0.04 2.09 2.12 2b7yA1 GLU 120 HB3 0.10 0.01 -0.19 -0.04 1.99 1.88 2b7yA1 GLU 120 HG2 0.05 0.11 -0.02 -0.04 2.34 2.44 2b7yA1 GLU 120 HG3 0.02 -0.16 0.08 -0.04 2.34 2.24 2b7yA1 PHE 121 H 0.37 0.83 0.27 -0.55 8.34 9.25 2b7yA1 PHE 121 HA -0.20 0.16 0.93 -0.75 4.62 4.76 2b7yA1 PHE 121 HB2 0.20 -0.08 0.11 -0.04 3.15 3.34 2b7yA1 PHE 121 HB3 -0.37 0.02 -0.02 -0.04 3.06 2.65 2b7yA1 PHE 121 HD2 -0.38 0.06 -0.19 -0.04 7.28 6.72 2b7yA1 PHE 121 HE2 -0.01 0.00 -0.18 -0.04 7.38 7.15 2b7yA1 PHE 121 HZ 0.05 0.00 -0.18 -0.04 7.32 7.15 2b7yA1 ASP 122 H 0.02 0.75 0.28 -0.55 8.40 8.90 2b7yA1 ASP 122 HA 0.21 0.06 0.46 -0.75 4.63 4.60 2b7yA1 ASP 122 HB2 -0.10 -0.01 -0.00 -0.04 2.71 2.56 2b7yA1 ASP 122 HB3 -1.10 -0.01 0.14 -0.04 2.70 1.69 2b7yA1 THR 123 H 0.27 0.42 0.13 -0.55 8.28 8.55 2b7yA1 THR 123 HA 0.19 0.25 1.11 -0.75 4.39 5.18 2b7yA1 THR 123 HB 0.14 0.01 0.03 -0.04 4.32 4.46 2b7yA1 THR 123 HG23 0.41 0.04 -0.29 -0.04 1.22 1.34 2b7yA1 PHE 124 H 0.29 0.22 0.00 -0.55 8.34 8.30 2b7yA1 PHE 124 HA 0.11 0.18 0.79 -0.75 4.62 4.96 2b7yA1 PHE 124 HB2 0.09 0.08 0.03 -0.04 3.15 3.31 2b7yA1 PHE 124 HB3 0.10 -0.08 0.12 -0.04 3.06 3.17 2b7yA1 PHE 124 HD2 0.01 0.10 -0.20 -0.04 7.28 7.15 2b7yA1 PHE 124 HE2 -0.04 -0.04 -0.00 -0.04 7.38 7.26 2b7yA1 PHE 124 HZ -0.02 -0.04 0.02 -0.04 7.32 7.24 2b7yA1 TYR 125 H -0.32 0.21 0.08 -0.55 8.29 7.71 2b7yA1 TYR 125 HA -0.07 0.06 0.37 -0.75 4.56 4.16 2b7yA1 TYR 125 HB2 -0.16 0.19 0.07 -0.04 3.06 3.11 2b7yA1 TYR 125 HB3 -0.38 -0.01 0.16 -0.04 2.98 2.71 2b7yA1 TYR 125 HD2 -0.16 0.01 -0.06 -0.04 7.15 6.90 2b7yA1 TYR 125 HE2 -0.12 0.13 -0.23 -0.04 6.85 6.59 2b7yA1 ASN 126 H -0.33 0.23 0.20 -0.55 8.53 8.08 2b7yA1 ASN 126 HA -0.55 0.17 1.02 -0.75 4.76 4.65 2b7yA1 ASN 126 HB2 -1.90 -0.02 0.25 -0.04 2.88 1.17 2b7yA1 ASN 126 HB3 -1.89 -0.05 0.12 -0.04 2.79 0.92 2b7yA1 ASN 126 HD21 0.13 -0.06 -0.05 -0.04 7.03 7.01 2b7yA1 ASN 126 HD22 -0.06 -0.01 0.02 -0.04 7.74 7.66 2b7yA1 ALA 127 H -0.76 0.26 0.03 -0.55 8.40 7.38 2b7yA1 ALA 127 HA -1.18 0.08 0.12 -0.75 4.34 2.61 2b7yA1 ALA 127 HB3 -0.30 0.02 0.05 -0.04 1.41 1.14 2b7yA1 ALA 128 H -0.56 -0.10 -0.62 -0.55 8.40 6.58 2b7yA1 ALA 128 HA -0.07 0.08 0.28 -0.75 4.34 3.88 2b7yA1 ALA 128 HB3 -0.05 -0.02 -0.00 -0.04 1.41 1.30 2b7yA1 TRP 129 H -0.85 0.31 -0.01 -0.55 7.97 6.87 2b7yA1 TRP 129 HA -0.00 0.25 0.93 -0.75 4.62 5.04 2b7yA1 TRP 129 HB2 -0.02 -0.01 -0.03 -0.04 3.23 3.14 2b7yA1 TRP 129 HB3 -0.02 -0.05 -0.19 -0.04 3.23 2.93 2b7yA1 TRP 129 HD1 0.02 0.02 -0.36 -0.04 7.22 6.86 2b7yA1 TRP 129 HE1 -0.00 0.07 0.00 -0.04 10.20 10.23 2b7yA1 TRP 129 HE3 -0.04 0.03 -0.22 -0.04 7.59 7.31 2b7yA1 TRP 129 HZ2 -0.25 0.00 -0.03 -0.04 7.44 7.13 2b7yA1 TRP 129 HZ3 -0.06 0.00 -0.08 -0.04 7.13 6.95 2b7yA1 TRP 129 HH2 -0.35 -0.06 -0.06 -0.04 7.19 6.68 2b7yA1 ASP 130 H -0.59 0.18 0.17 -0.55 8.40 7.62 2b7yA1 ASP 130 HA 0.19 0.08 0.47 -0.75 4.63 4.62 2b7yA1 ASP 130 HB2 0.01 -0.13 0.08 -0.04 2.71 2.63 2b7yA1 ASP 130 HB3 0.14 0.13 0.07 -0.04 2.70 3.00 2b7yA1 PRO 131 HA -0.02 0.13 0.43 -0.51 4.44 4.47 2b7yA1 PRO 131 HB2 -0.15 -0.04 -0.12 -0.04 2.28 1.93 2b7yA1 PRO 131 HB3 -0.07 0.04 0.01 -0.04 2.02 1.95 2b7yA1 PRO 131 HG2 -0.31 0.05 -0.07 -0.04 2.03 1.67 2b7yA1 PRO 131 HG3 -0.12 0.09 -0.01 -0.04 2.03 1.95 2b7yA1 PRO 131 HD2 -0.72 0.11 0.09 -0.04 3.68 3.13 2b7yA1 PRO 131 HD3 -0.39 0.10 0.15 -0.04 3.65 3.47 2b7yA1 SER 132 H -0.04 0.24 0.05 -0.55 8.46 8.17 2b7yA1 SER 132 HA -0.18 0.10 0.65 -0.75 4.49 4.31 2b7yA1 SER 132 HB2 0.08 0.18 -0.05 -0.04 3.95 4.12 2b7yA1 SER 132 HB3 0.00 0.00 0.18 -0.04 3.93 4.08 2b7yA1 ASN 133 H -0.34 -1.12 0.42 -0.55 8.53 6.94 2b7yA1 ASN 133 HA -0.13 0.10 0.34 -0.75 4.76 4.31 2b7yA1 ASN 133 HB2 -0.08 0.01 0.08 -0.04 2.88 2.85 2b7yA1 ASN 133 HB3 -0.07 0.14 0.13 -0.04 2.79 2.95 2b7yA1 ASN 133 HD21 -0.03 0.03 -0.14 -0.04 7.03 6.85 2b7yA1 ASN 133 HD22 -0.03 0.04 -0.08 -0.04 7.74 7.63 2b7yA1 GLY 134 H -0.39 -0.06 0.18 -0.55 8.43 7.61 2b7yA1 GLY 134 HA2 -0.93 0.17 0.30 -0.51 4.01 3.04 2b7yA1 GLY 134 HA3 -0.81 0.05 0.19 -0.51 4.01 2.93 2b7yA1 LYS 135 H -0.12 -0.05 -0.47 -0.55 8.42 7.23 2b7yA1 LYS 135 HA -0.03 0.08 0.61 -0.75 4.32 4.23 2b7yA1 LYS 135 HB2 0.01 -0.07 -0.01 -0.04 1.87 1.76 2b7yA1 LYS 135 HB3 0.05 0.06 0.01 -0.04 1.79 1.87 2b7yA1 LYS 135 HG2 -0.04 0.06 -0.02 -0.04 1.46 1.42 2b7yA1 LYS 135 HG3 -0.04 -0.02 -0.07 -0.04 1.46 1.30 2b7yA1 LYS 135 HD2 0.02 -0.04 -0.03 -0.04 1.69 1.60 2b7yA1 LYS 135 HD3 0.01 -0.01 -0.02 -0.04 1.68 1.62 2b7yA1 LYS 135 HE2 -0.00 -0.02 -0.01 -0.04 2.99 2.91 2b7yA1 LYS 135 HE3 -0.02 0.02 -0.00 -0.04 2.99 2.94 2b7yA1 ARG 136 H 0.04 0.07 0.16 -0.55 8.46 8.18 2b7yA1 ARG 136 HA 0.26 0.06 0.43 -0.75 4.34 4.33 2b7yA1 ARG 136 HB2 -0.07 0.10 0.15 -0.04 1.90 2.04 2b7yA1 ARG 136 HB3 0.12 0.13 0.19 -0.04 1.80 2.20 2b7yA1 ARG 136 HG2 0.07 -0.02 0.03 -0.04 1.67 1.72 2b7yA1 ARG 136 HG3 -0.01 -0.06 0.15 -0.04 1.67 1.71 2b7yA1 ARG 136 HD2 -0.22 -0.11 0.11 -0.04 3.22 2.96 2b7yA1 ARG 136 HD3 -0.16 -0.02 0.06 -0.04 3.22 3.06 2b7yA1 HIS 137 H 0.23 0.54 0.32 -0.55 8.41 8.95 2b7yA1 HIS 137 HA 0.38 0.05 0.75 -0.75 4.63 5.06 2b7yA1 HIS 137 HB2 0.14 0.12 0.06 -0.04 3.26 3.54 2b7yA1 HIS 137 HB3 0.16 0.05 -0.33 -0.04 3.20 3.04 2b7yA1 HIS 137 HD2 0.12 0.03 -0.30 -0.04 6.97 6.78 2b7yA1 HIS 137 HE1 0.19 -0.06 -0.12 -0.04 7.75 7.72 2b7yA1 ILE 138 H 0.16 0.34 0.26 -0.55 8.25 8.47 2b7yA1 ILE 138 HA -0.24 0.38 1.21 -0.75 4.18 4.76 2b7yA1 ILE 138 HB -0.84 0.04 0.11 -0.04 1.89 1.17 2b7yA1 ILE 138 HG12 -0.08 -0.11 0.11 -0.04 1.49 1.37 2b7yA1 ILE 138 HG13 -0.23 0.00 -0.20 -0.04 1.21 0.75 2b7yA1 ILE 138 HG23 -0.64 0.00 -0.16 -0.04 0.93 0.10 2b7yA1 ILE 138 HD13 -0.23 0.00 -0.09 -0.04 0.88 0.53 2b7yA1 GLY 139 H -0.19 0.52 0.42 -0.55 8.43 8.63 2b7yA1 GLY 139 HA2 0.02 0.28 1.15 -0.51 4.01 4.95 2b7yA1 GLY 139 HA3 0.09 0.01 0.29 -0.51 4.01 3.89 2b7yA1 ILE 140 H 0.02 0.34 0.21 -0.55 8.25 8.27 2b7yA1 ILE 140 HA 0.04 0.27 1.12 -0.75 4.18 4.86 2b7yA1 ILE 140 HB 0.04 -0.03 0.15 -0.04 1.89 2.01 2b7yA1 ILE 140 HG12 0.04 0.02 -0.07 -0.04 1.49 1.44 2b7yA1 ILE 140 HG13 -0.01 -0.10 -0.24 -0.04 1.21 0.82 2b7yA1 ILE 140 HG23 0.07 0.01 -0.08 -0.04 0.93 0.90 2b7yA1 ILE 140 HD13 0.02 0.01 -0.05 -0.04 0.88 0.82 2b7yA1 ASP 141 H 0.08 0.92 0.42 -0.55 8.40 9.27 2b7yA1 ASP 141 HA -0.05 0.04 0.76 -0.75 4.63 4.62 2b7yA1 ASP 141 HB2 0.16 -0.08 0.01 -0.04 2.71 2.75 2b7yA1 ASP 141 HB3 -0.35 0.37 -0.04 -0.04 2.70 2.64 2b7yA1 VAL 142 H -0.10 0.28 0.10 -0.55 8.24 7.98 2b7yA1 VAL 142 HA 0.11 0.20 0.99 -0.75 4.13 4.67 2b7yA1 VAL 142 HB 0.09 0.05 0.05 -0.04 2.12 2.27 2b7yA1 VAL 142 HG13 0.07 -0.01 -0.27 -0.04 0.97 0.73 2b7yA1 VAL 142 HG23 0.11 -0.00 0.04 -0.04 0.95 1.06 2b7yA1 ASN 143 H 0.18 0.73 0.29 -0.55 8.53 9.19 2b7yA1 ASN 143 HA 0.11 0.13 0.39 -0.75 4.76 4.64 2b7yA1 ASN 143 HB2 -0.63 0.07 -0.27 -0.04 2.88 2.02 2b7yA1 ASN 143 HB3 -0.60 -0.27 -0.01 -0.04 2.79 1.88 2b7yA1 ASN 143 HD21 -0.09 0.07 -0.06 -0.04 7.03 6.91 2b7yA1 ASN 143 HD22 -0.48 -0.12 -0.14 -0.04 7.74 6.96 2b7yA1 THR 144 H -0.70 0.12 -0.59 -0.55 8.28 6.56 2b7yA1 THR 144 HA -0.39 0.25 0.58 -0.75 4.39 4.08 2b7yA1 THR 144 HB -0.26 0.05 -0.20 -0.04 4.32 3.87 2b7yA1 THR 144 HG23 -0.16 -0.04 -0.20 -0.04 1.22 0.79 2b7yA1 ILE 145 H -0.44 0.42 0.03 -0.55 8.25 7.71 2b7yA1 ILE 145 HA -0.51 0.16 0.57 -0.75 4.18 3.65 2b7yA1 ILE 145 HB -0.17 -0.09 -0.14 -0.04 1.89 1.44 2b7yA1 ILE 145 HG12 -0.49 -0.02 -0.15 -0.04 1.49 0.79 2b7yA1 ILE 145 HG13 -0.46 -0.02 0.01 -0.04 1.21 0.70 2b7yA1 ILE 145 HG23 -1.25 0.01 -0.39 -0.04 0.93 -0.74 2b7yA1 ILE 145 HD13 0.13 0.03 -0.07 -0.04 0.88 0.92 2b7yA1 LYS 146 H -0.31 0.04 -0.43 -0.55 8.42 7.17 2b7yA1 LYS 146 HA 0.04 0.14 0.62 -0.75 4.32 4.37 2b7yA1 LYS 146 HB2 -0.10 -0.10 0.03 -0.04 1.87 1.65 2b7yA1 LYS 146 HB3 -0.05 0.00 0.11 -0.04 1.79 1.81 2b7yA1 LYS 146 HG2 0.10 0.10 -0.01 -0.04 1.46 1.61 2b7yA1 LYS 146 HG3 0.17 -0.01 0.07 -0.04 1.46 1.64 2b7yA1 LYS 146 HD2 0.04 0.03 0.06 -0.04 1.69 1.77 2b7yA1 LYS 146 HD3 0.04 -0.00 -0.06 -0.04 1.68 1.61 2b7yA1 LYS 146 HE2 0.07 0.04 -0.00 -0.04 2.99 3.06 2b7yA1 LYS 146 HE3 0.10 0.01 0.06 -0.04 2.99 3.12 2b7yA1 SER 147 H 0.07 0.13 -0.01 -0.55 8.46 8.11 2b7yA1 SER 147 HA -0.02 0.00 0.00 -0.75 4.49 3.72 2b7yA1 SER 147 HB2 0.06 0.01 0.00 -0.04 3.95 3.98 2b7yA1 SER 147 HB3 0.05 0.00 -0.18 -0.04 3.93 3.76 2b7yA1 ILE 148 H 0.01 0.39 0.38 -0.55 8.25 8.48 2b7yA1 ILE 148 HA 0.02 0.09 0.49 -0.75 4.18 4.03 2b7yA1 ILE 148 HB 0.03 -0.03 0.21 -0.04 1.89 2.06 2b7yA1 ILE 148 HG12 0.03 -0.02 0.03 -0.04 1.49 1.50 2b7yA1 ILE 148 HG13 0.03 0.02 0.05 -0.04 1.21 1.27 2b7yA1 ILE 148 HG23 0.04 -0.01 0.10 -0.04 0.93 1.01 2b7yA1 ILE 148 HD13 0.05 -0.01 -0.01 -0.04 0.88 0.86 2b7yA1 SER 149 H 0.03 0.04 -1.06 -0.55 8.46 6.92 2b7yA1 SER 149 HA 0.02 0.06 0.59 -0.75 4.49 4.41 2b7yA1 SER 149 HB2 0.02 0.26 -0.31 -0.04 3.95 3.88 2b7yA1 SER 149 HB3 0.02 -0.11 -0.19 -0.04 3.93 3.61 2b7yA1 THR 150 H 0.03 0.27 0.23 -0.55 8.28 8.26 2b7yA1 THR 150 HA 0.06 0.28 0.86 -0.75 4.39 4.84 2b7yA1 THR 150 HB 0.16 0.12 0.08 -0.04 4.32 4.63 2b7yA1 THR 150 HG23 0.00 -0.00 -0.33 -0.04 1.22 0.85 2b7yA1 LYS 151 H 0.08 0.35 0.34 -0.55 8.42 8.64 2b7yA1 LYS 151 HA 0.07 0.12 0.83 -0.75 4.32 4.58 2b7yA1 LYS 151 HB2 0.04 -0.05 0.11 -0.04 1.87 1.93 2b7yA1 LYS 151 HB3 0.12 0.07 -0.01 -0.04 1.79 1.92 2b7yA1 LYS 151 HG2 0.06 -0.03 0.07 -0.04 1.46 1.53 2b7yA1 LYS 151 HG3 0.09 0.06 0.14 -0.04 1.46 1.71 2b7yA1 LYS 151 HD2 0.05 0.04 0.23 -0.04 1.69 1.97 2b7yA1 LYS 151 HD3 0.04 -0.02 0.04 -0.04 1.68 1.70 2b7yA1 LYS 151 HE2 0.05 -0.02 0.08 -0.04 2.99 3.06 2b7yA1 LYS 151 HE3 0.03 -0.00 0.06 -0.04 2.99 3.04 2b7yA1 SER 152 H 0.11 0.07 0.13 -0.55 8.46 8.22 2b7yA1 SER 152 HA 0.24 0.28 0.79 -0.75 4.49 5.04 2b7yA1 SER 152 HB2 0.09 -0.06 0.11 -0.04 3.95 4.05 2b7yA1 SER 152 HB3 0.11 -0.02 0.00 -0.04 3.93 3.99 2b7yA1 TRP 153 H 0.29 0.65 -0.03 -0.55 7.97 8.34 2b7yA1 TRP 153 HA 0.11 0.08 0.71 -0.75 4.62 4.76 2b7yA1 TRP 153 HB2 0.12 0.06 -0.34 -0.04 3.23 3.03 2b7yA1 TRP 153 HB3 0.14 -0.08 -0.30 -0.04 3.23 2.95 2b7yA1 TRP 153 HD1 0.17 0.01 -0.17 -0.04 7.22 7.19 2b7yA1 TRP 153 HE1 0.26 0.02 -0.22 -0.04 10.20 10.22 2b7yA1 TRP 153 HE3 0.13 0.01 -0.24 -0.04 7.59 7.44 2b7yA1 TRP 153 HZ2 0.31 0.00 -0.15 -0.04 7.44 7.56 2b7yA1 TRP 153 HZ3 0.25 0.06 -0.55 -0.04 7.13 6.85 2b7yA1 TRP 153 HH2 0.38 -0.02 -0.19 -0.04 7.19 7.32 2b7yA1 ASN 154 H 0.09 0.15 0.02 -0.55 8.53 8.24 2b7yA1 ASN 154 HA -0.25 0.01 0.57 -0.75 4.76 4.33 2b7yA1 ASN 154 HB2 -0.01 -0.02 0.11 -0.04 2.88 2.93 2b7yA1 ASN 154 HB3 -0.12 0.11 -0.01 -0.04 2.79 2.73 2b7yA1 ASN 154 HD21 0.03 0.02 -0.05 -0.04 7.03 6.99 2b7yA1 ASN 154 HD22 0.07 -0.02 0.01 -0.04 7.74 7.76 2b7yA1 LEU 155 H -0.54 0.13 0.22 -0.55 8.37 7.63 2b7yA1 LEU 155 HA -0.74 0.07 0.47 -0.75 4.35 3.39 2b7yA1 LEU 155 HB2 -0.69 0.06 0.06 -0.04 1.64 1.03 2b7yA1 LEU 155 HB3 -0.32 0.00 0.09 -0.04 1.64 1.38 2b7yA1 LEU 155 HG -0.17 -0.13 -0.27 -0.04 1.64 1.02 2b7yA1 LEU 155 HD13 -0.03 -0.05 -0.12 -0.04 0.93 0.70 2b7yA1 LEU 155 HD23 -0.06 0.01 -0.08 -0.04 0.89 0.72 2b7yA1 GLN 156 H -0.18 0.17 0.02 -0.55 8.47 7.94 2b7yA1 GLN 156 HA -0.25 0.14 0.71 -0.75 4.36 4.21 2b7yA1 GLN 156 HB2 -0.86 -0.00 0.13 -0.04 2.15 1.38 2b7yA1 GLN 156 HB3 -0.41 0.03 0.06 -0.04 2.02 1.66 2b7yA1 GLN 156 HG2 -0.36 0.09 -0.19 -0.04 2.40 1.90 2b7yA1 GLN 156 HG3 -0.76 0.06 -0.36 -0.04 2.39 1.29 2b7yA1 GLN 156 HE21 -0.11 -0.01 -0.06 -0.04 6.97 6.74 2b7yA1 GLN 156 HE22 -0.17 0.02 -0.10 -0.04 7.69 7.40 2b7yA1 ASN 157 H -0.14 0.14 -0.04 -0.55 8.53 7.95 2b7yA1 ASN 157 HA -0.06 0.19 0.52 -0.75 4.76 4.66 2b7yA1 ASN 157 HB2 -0.09 0.01 0.15 -0.04 2.88 2.91 2b7yA1 ASN 157 HB3 -0.08 0.03 0.06 -0.04 2.79 2.76 2b7yA1 ASN 157 HD21 -0.02 0.02 0.07 -0.04 7.03 7.05 2b7yA1 ASN 157 HD22 -0.05 -0.00 -0.01 -0.04 7.74 7.63 2b7yA1 GLY 158 H -0.05 0.37 0.11 -0.55 8.43 8.32 2b7yA1 GLY 158 HA2 -0.04 -0.08 0.21 -0.51 4.01 3.59 2b7yA1 GLY 158 HA3 -0.05 0.08 0.20 -0.51 4.01 3.74 2b7yA1 GLU 159 H -0.09 0.35 -0.44 -0.55 8.60 7.88 2b7yA1 GLU 159 HA -0.05 0.12 0.89 -0.75 4.29 4.49 2b7yA1 GLU 159 HB2 -0.13 0.07 -0.08 -0.04 2.09 1.91 2b7yA1 GLU 159 HB3 -0.15 0.02 -0.02 -0.04 1.99 1.80 2b7yA1 GLU 159 HG2 -0.05 0.05 0.03 -0.04 2.34 2.33 2b7yA1 GLU 159 HG3 -0.04 -0.12 0.15 -0.04 2.34 2.29 2b7yA1 GLU 160 H -0.04 0.10 0.17 -0.55 8.60 8.29 2b7yA1 GLU 160 HA -0.14 0.16 0.47 -0.75 4.29 4.03 2b7yA1 GLU 160 HB2 -0.06 -0.02 0.10 -0.04 2.09 2.06 2b7yA1 GLU 160 HB3 -0.07 0.03 -0.02 -0.04 1.99 1.89 2b7yA1 GLU 160 HG2 -0.03 -0.00 -0.10 -0.04 2.34 2.17 2b7yA1 GLU 160 HG3 -0.03 -0.03 0.05 -0.04 2.34 2.29 2b7yA1 ALA 161 H -0.31 0.42 0.35 -0.55 8.40 8.31 2b7yA1 ALA 161 HA -0.35 0.41 1.02 -0.75 4.34 4.66 2b7yA1 ALA 161 HB3 -0.43 -0.03 0.05 -0.04 1.41 0.96 2b7yA1 HIS 162 H -0.48 0.38 0.30 -0.55 8.41 8.06 2b7yA1 HIS 162 HA -0.12 0.25 1.03 -0.75 4.63 5.03 2b7yA1 HIS 162 HB2 -0.09 -0.07 -0.02 -0.04 3.26 3.04 2b7yA1 HIS 162 HB3 -0.10 0.04 0.05 -0.04 3.20 3.14 2b7yA1 HIS 162 HD2 -0.03 0.03 -0.08 -0.04 6.97 6.84 2b7yA1 HIS 162 HE1 -0.01 -0.03 -0.09 -0.04 7.75 7.58 2b7yA1 VAL 163 H -0.26 0.53 0.33 -0.55 8.24 8.30 2b7yA1 VAL 163 HA -0.13 0.46 1.01 -0.75 4.13 4.71 2b7yA1 VAL 163 HB -1.27 -0.04 0.10 -0.04 2.12 0.87 2b7yA1 VAL 163 HG13 -0.11 -0.03 -0.22 -0.04 0.97 0.58 2b7yA1 VAL 163 HG23 -0.17 -0.02 -0.22 -0.04 0.95 0.50 2b7yA1 ALA 164 H -0.09 0.49 0.32 -0.55 8.40 8.57 2b7yA1 ALA 164 HA -0.14 0.31 1.05 -0.75 4.34 4.81 2b7yA1 ALA 164 HB3 -0.07 -0.01 0.05 -0.04 1.41 1.34 2b7yA1 ILE 165 H -0.07 0.60 0.28 -0.55 8.25 8.51 2b7yA1 ILE 165 HA -0.02 0.41 1.31 -0.75 4.18 5.12 2b7yA1 ILE 165 HB -0.06 -0.08 0.06 -0.04 1.89 1.77 2b7yA1 ILE 165 HG12 0.08 0.00 -0.07 -0.04 1.49 1.46 2b7yA1 ILE 165 HG13 0.03 -0.09 -0.47 -0.04 1.21 0.63 2b7yA1 ILE 165 HG23 0.11 0.01 -0.21 -0.04 0.93 0.79 2b7yA1 ILE 165 HD13 0.21 -0.00 -0.12 -0.04 0.88 0.93 2b7yA1 SER 166 H -0.04 0.67 0.38 -0.55 8.46 8.92 2b7yA1 SER 166 HA -0.21 0.32 1.08 -0.75 4.49 4.93 2b7yA1 SER 166 HB2 -0.13 0.05 0.06 -0.04 3.95 3.88 2b7yA1 SER 166 HB3 -0.08 -0.02 -0.08 -0.04 3.93 3.70 2b7yA1 PHE 167 H -0.45 0.60 0.35 -0.55 8.34 8.29 2b7yA1 PHE 167 HA -0.21 0.32 0.94 -0.75 4.62 4.91 2b7yA1 PHE 167 HB2 -0.68 -0.00 -0.05 -0.04 3.15 2.38 2b7yA1 PHE 167 HB3 -1.08 -0.16 0.20 -0.04 3.06 1.98 2b7yA1 PHE 167 HD2 -0.03 -0.03 -0.17 -0.04 7.28 7.01 2b7yA1 PHE 167 HE2 0.05 0.11 -0.12 -0.04 7.38 7.37 2b7yA1 PHE 167 HZ 0.03 -0.00 -0.02 -0.04 7.32 7.29 2b7yA1 ASN 168 H -0.48 0.69 0.21 -0.55 8.53 8.41 2b7yA1 ASN 168 HA -0.25 0.13 0.97 -0.75 4.76 4.85 2b7yA1 ASN 168 HB2 -0.17 0.08 0.07 -0.04 2.88 2.81 2b7yA1 ASN 168 HB3 -0.24 0.04 0.15 -0.04 2.79 2.69 2b7yA1 ASN 168 HD21 -0.09 0.05 0.02 -0.04 7.03 6.96 2b7yA1 ASN 168 HD22 -0.11 0.09 0.06 -0.04 7.74 7.74 2b7yA1 ALA 169 H -0.18 0.20 0.14 -0.55 8.40 8.01 2b7yA1 ALA 169 HA -0.30 0.14 0.26 -0.75 4.34 3.69 2b7yA1 ALA 169 HB3 0.07 0.07 -0.22 -0.04 1.41 1.29 2b7yA1 THR 170 H -0.16 0.01 -0.30 -0.55 8.28 7.29 2b7yA1 THR 170 HA -0.06 0.31 0.69 -0.75 4.39 4.58 2b7yA1 THR 170 HB -0.04 0.06 0.11 -0.04 4.32 4.41 2b7yA1 THR 170 HG23 -0.05 -0.01 -0.01 -0.04 1.22 1.11 2b7yA1 THR 171 H -0.22 0.17 -0.37 -0.55 8.28 7.32 2b7yA1 THR 171 HA -0.07 0.21 0.76 -0.75 4.39 4.54 2b7yA1 THR 171 HB -0.07 0.05 0.09 -0.04 4.32 4.35 2b7yA1 THR 171 HG23 -0.09 0.01 -0.29 -0.04 1.22 0.81 2b7yA1 ASN 172 H -0.21 0.15 -0.10 -0.55 8.53 7.83 2b7yA1 ASN 172 HA -0.61 0.10 0.28 -0.75 4.76 3.78 2b7yA1 ASN 172 HB2 0.06 0.07 0.05 -0.04 2.88 3.02 2b7yA1 ASN 172 HB3 0.30 -0.02 0.15 -0.04 2.79 3.18 2b7yA1 ASN 172 HD21 0.01 0.05 -0.12 -0.04 7.03 6.93 2b7yA1 ASN 172 HD22 -0.00 0.03 -0.33 -0.04 7.74 7.39 2b7yA1 VAL 173 H -0.30 -0.02 -0.35 -0.55 8.24 7.02 2b7yA1 VAL 173 HA -0.01 0.23 1.03 -0.75 4.13 4.62 2b7yA1 VAL 173 HB -0.12 -0.12 0.06 -0.04 2.12 1.90 2b7yA1 VAL 173 HG13 -0.03 -0.01 -0.24 -0.04 0.97 0.65 2b7yA1 VAL 173 HG23 -0.05 0.04 -0.01 -0.04 0.95 0.89 2b7yA1 LEU 174 H 0.10 0.24 0.20 -0.55 8.37 8.36 2b7yA1 LEU 174 HA 0.15 0.22 1.00 -0.75 4.35 4.96 2b7yA1 LEU 174 HB2 0.32 0.01 -0.00 -0.04 1.64 1.93 2b7yA1 LEU 174 HB3 0.15 -0.01 0.14 -0.04 1.64 1.88 2b7yA1 LEU 174 HG 0.11 -0.06 -0.23 -0.04 1.64 1.42 2b7yA1 LEU 174 HD13 0.11 0.02 -0.14 -0.04 0.93 0.88 2b7yA1 LEU 174 HD23 0.18 -0.01 -0.13 -0.04 0.89 0.90 2b7yA1 SER 175 H 0.01 0.84 0.36 -0.55 8.46 9.12 2b7yA1 SER 175 HA 0.01 0.13 0.92 -0.75 4.49 4.80 2b7yA1 SER 175 HB2 -0.02 0.04 -0.04 -0.04 3.95 3.90 2b7yA1 SER 175 HB3 -0.02 0.01 -0.13 -0.04 3.93 3.75 2b7yA1 VAL 176 H -0.01 0.21 0.18 -0.55 8.24 8.07 2b7yA1 VAL 176 HA 0.00 0.32 1.10 -0.75 4.13 4.80 2b7yA1 VAL 176 HB 0.02 0.00 -0.06 -0.04 2.12 2.05 2b7yA1 VAL 176 HG13 -0.06 -0.00 -0.03 -0.04 0.97 0.83 2b7yA1 VAL 176 HG23 -0.03 -0.01 -0.25 -0.04 0.95 0.62 2b7yA1 THR 177 H -0.02 0.61 0.34 -0.55 8.28 8.67 2b7yA1 THR 177 HA -0.01 0.14 0.80 -0.75 4.39 4.57 2b7yA1 THR 177 HB -0.03 0.03 0.12 -0.04 4.32 4.41 2b7yA1 THR 177 HG23 -0.02 -0.01 -0.34 -0.04 1.22 0.81 2b7yA1 LEU 178 H -0.02 0.22 0.16 -0.55 8.37 8.18 2b7yA1 LEU 178 HA -0.06 0.35 1.21 -0.75 4.35 5.09 2b7yA1 LEU 178 HB2 0.08 -0.02 -0.08 -0.04 1.64 1.57 2b7yA1 LEU 178 HB3 -0.06 -0.04 0.04 -0.04 1.64 1.54 2b7yA1 LEU 178 HG -0.19 -0.01 -0.39 -0.04 1.64 1.00 2b7yA1 LEU 178 HD13 -0.24 0.01 -0.03 -0.04 0.93 0.63 2b7yA1 LEU 178 HD23 -0.11 -0.01 -0.15 -0.04 0.89 0.57 2b7yA1 LEU 179 H -0.17 0.80 0.37 -0.55 8.37 8.82 2b7yA1 LEU 179 HA -0.08 0.13 0.96 -0.75 4.35 4.61 2b7yA1 LEU 179 HB2 0.02 -0.02 -0.29 -0.04 1.64 1.31 2b7yA1 LEU 179 HB3 0.05 -0.07 0.03 -0.04 1.64 1.61 2b7yA1 LEU 179 HG 0.06 0.02 -0.24 -0.04 1.64 1.44 2b7yA1 LEU 179 HD13 0.04 -0.03 0.09 -0.04 0.93 0.98 2b7yA1 LEU 179 HD23 0.12 -0.02 -0.09 -0.04 0.89 0.85 2b7yA1 TYR 180 H 0.04 0.17 0.15 -0.55 8.29 8.10 2b7yA1 TYR 180 HA -0.12 0.35 1.01 -0.75 4.56 5.04 2b7yA1 TYR 180 HB2 0.01 -0.07 -0.02 -0.04 3.06 2.94 2b7yA1 TYR 180 HB3 -0.03 0.13 -0.00 -0.04 2.98 3.03 2b7yA1 TYR 180 HD2 0.00 0.11 -0.09 -0.04 7.15 7.14 2b7yA1 TYR 180 HE2 0.11 0.11 -0.11 -0.04 6.85 6.91 2b7yA1 PRO 181 HA 0.05 -0.01 0.53 -0.51 4.44 4.50 2b7yA1 PRO 181 HB2 0.02 0.02 0.02 -0.04 2.28 2.30 2b7yA1 PRO 181 HB3 0.03 0.01 0.12 -0.04 2.02 2.13 2b7yA1 PRO 181 HG2 0.02 0.02 0.16 -0.04 2.03 2.19 2b7yA1 PRO 181 HG3 -0.00 0.01 0.13 -0.04 2.03 2.12 2b7yA1 PRO 181 HD2 0.10 0.29 0.34 -0.04 3.68 4.38 2b7yA1 PRO 181 HD3 -0.12 0.10 0.15 -0.04 3.65 3.74 2b7yA1 ASN 182 H 0.05 0.08 0.12 -0.55 8.53 8.23 2b7yA1 ASN 182 HA 0.02 0.08 0.05 -0.75 4.76 4.16 2b7yA1 ASN 182 HB2 0.07 0.03 -0.22 -0.04 2.88 2.72 2b7yA1 ASN 182 HB3 0.03 -0.04 0.05 -0.04 2.79 2.79 2b7yA1 ASN 182 HD21 -0.05 -0.03 -0.04 -0.04 7.03 6.86 2b7yA1 ASN 182 HD22 0.06 -0.08 -0.11 -0.04 7.74 7.57