============================================================================= 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. HIS 21 0.900 -18.380 -0.724 -5.835 -99.200 -91.000 TRP 22 1.040 -10.940 -0.908 -1.690 -99.200 -91.000 TRP6 22 1.020 -11.060 -1.338 0.632 -99.200 -91.000 PHE 42 1.000 -25.012 3.442 10.765 -99.200 -91.000 PHE 50 1.000 -10.954 -2.065 19.443 -99.200 -91.000 PHE 55 1.000 -18.269 -8.483 22.669 -99.200 -91.000 TRP 56 1.040 -8.505 -8.681 26.997 -99.200 -91.000 TRP6 56 1.020 -7.594 -10.680 26.118 -99.200 -91.000 PHE 62 1.000 -18.990 -12.586 33.541 -99.200 -91.000 TYR 69 0.840 -16.565 -14.060 25.874 -99.200 -91.000 PHE 75 1.000 -19.844 -10.624 27.537 -99.200 -91.000 TRP 76 1.040 -24.585 -11.869 26.060 -99.200 -91.000 TRP6 76 1.020 -23.392 -10.665 24.415 -99.200 -91.000 TRP 83 1.040 -17.980 -4.179 31.914 -99.200 -91.000 TRP6 83 1.020 -17.589 -6.501 31.743 -99.200 -91.000 PHE 86 1.000 -13.493 0.702 31.027 -99.200 -91.000 HIS 100 0.900 -27.175 7.036 6.074 -99.200 -91.000 PHE 108 1.000 -35.090 1.593 12.747 -99.200 -91.000 PHE 109 1.000 -26.974 2.837 16.146 -99.200 -91.000 PHE 129 1.000 -21.090 6.827 17.060 -99.200 -91.000 HIS 130 0.900 -21.575 14.286 18.853 -99.200 -91.000 PHE 141 1.000 -29.347 -4.554 23.048 -99.200 -91.000 TRP 154 1.040 -34.818 -8.206 14.938 -99.200 -91.000 TRP6 154 1.020 -36.603 -7.203 16.117 -99.200 -91.000 PHE 163 1.000 -27.253 -4.199 9.464 -99.200 -91.000 TYR 164 0.840 -23.849 2.341 6.246 -99.200 -91.000 TYR 192 0.840 -16.315 -11.935 15.812 -99.200 -91.000 PHE 201 1.000 -20.763 -12.686 1.650 -99.200 -91.000 TYR 211 0.840 -8.717 5.820 10.773 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2b82B1 SER 2 HA 0.01 -0.14 -0.08 -0.75 4.49 3.53 2b82B1 SER 2 HB2 0.01 -0.06 0.00 -0.04 3.95 3.86 2b82B1 SER 2 HB3 0.01 -0.02 0.01 -0.04 3.93 3.88 2b82B1 PRO 3 HA 0.00 0.02 0.32 -0.51 4.44 4.28 2b82B1 PRO 3 HB2 0.00 0.02 -0.04 -0.04 2.28 2.22 2b82B1 PRO 3 HB3 0.00 -0.00 0.08 -0.04 2.02 2.07 2b82B1 PRO 3 HG2 0.00 0.01 0.04 -0.04 2.03 2.04 2b82B1 PRO 3 HG3 0.00 -0.01 0.07 -0.04 2.03 2.06 2b82B1 PRO 3 HD2 0.01 0.11 0.32 -0.04 3.68 4.08 2b82B1 PRO 3 HD3 0.01 0.06 0.20 -0.04 3.65 3.88 2b82B1 SER 4 H 0.00 0.25 0.16 -0.55 8.46 8.33 2b82B1 SER 4 HA 0.00 0.14 0.61 -0.75 4.49 4.50 2b82B1 SER 4 HB2 0.00 0.02 0.10 -0.04 3.95 4.03 2b82B1 SER 4 HB3 0.00 0.10 -0.15 -0.04 3.93 3.85 2b82B1 PRO 5 HA 0.00 -0.01 0.27 -0.51 4.44 4.19 2b82B1 PRO 5 HB2 0.00 0.00 -0.18 -0.04 2.28 2.06 2b82B1 PRO 5 HB3 0.00 0.01 -0.00 -0.04 2.02 1.99 2b82B1 PRO 5 HG2 0.00 0.08 0.06 -0.04 2.03 2.13 2b82B1 PRO 5 HG3 0.00 0.03 0.06 -0.04 2.03 2.08 2b82B1 PRO 5 HD2 0.00 0.12 0.15 -0.04 3.68 3.91 2b82B1 PRO 5 HD3 0.00 0.14 0.20 -0.04 3.65 3.95 2b82B1 LEU 6 H 0.00 0.08 0.15 -0.55 8.37 8.05 2b82B1 LEU 6 HA 0.00 0.12 0.48 -0.75 4.35 4.20 2b82B1 LEU 6 HB2 0.00 0.01 0.16 -0.04 1.64 1.77 2b82B1 LEU 6 HB3 0.00 -0.06 0.13 -0.04 1.64 1.67 2b82B1 LEU 6 HG 0.00 0.01 -0.12 -0.04 1.64 1.49 2b82B1 LEU 6 HD13 0.00 0.01 0.07 -0.04 0.93 0.96 2b82B1 LEU 6 HD23 0.00 -0.01 0.01 -0.04 0.89 0.85 2b82B1 ASN 7 H 0.00 0.05 -0.20 -0.55 8.53 7.84 2b82B1 ASN 7 HA 0.00 0.22 0.83 -0.75 4.76 5.06 2b82B1 ASN 7 HB2 0.00 -0.03 0.14 -0.04 2.88 2.95 2b82B1 ASN 7 HB3 0.00 -0.01 0.07 -0.04 2.79 2.81 2b82B1 ASN 7 HD21 -0.00 0.02 -0.06 -0.04 7.03 6.95 2b82B1 ASN 7 HD22 0.00 -0.03 -0.03 -0.04 7.74 7.64 2b82B1 PRO 8 HA 0.00 0.02 0.33 -0.51 4.44 4.28 2b82B1 PRO 8 HB2 0.00 0.10 -0.00 -0.04 2.28 2.34 2b82B1 PRO 8 HB3 0.00 0.01 0.06 -0.04 2.02 2.05 2b82B1 PRO 8 HG2 0.00 0.02 0.06 -0.04 2.03 2.06 2b82B1 PRO 8 HG3 0.00 0.06 0.02 -0.04 2.03 2.07 2b82B1 PRO 8 HD2 0.00 0.06 0.12 -0.04 3.68 3.82 2b82B1 PRO 8 HD3 0.00 0.40 -0.29 -0.04 3.65 3.72 2b82B1 GLY 9 H 0.00 0.02 -0.23 -0.55 8.43 7.68 2b82B1 GLY 9 HA2 0.00 -0.03 0.27 -0.51 4.01 3.74 2b82B1 GLY 9 HA3 0.00 0.09 0.46 -0.51 4.01 4.05 2b82B1 THR 10 H 0.00 0.25 0.22 -0.55 8.28 8.20 2b82B1 THR 10 HA 0.00 0.15 0.42 -0.75 4.39 4.21 2b82B1 THR 10 HB 0.00 0.15 -0.17 -0.04 4.32 4.26 2b82B1 THR 10 HG23 0.00 -0.02 -0.18 -0.04 1.22 0.98 2b82B1 ASN 11 H 0.00 0.26 0.24 -0.55 8.53 8.50 2b82B1 ASN 11 HA 0.00 0.20 0.60 -0.75 4.76 4.81 2b82B1 ASN 11 HB2 0.00 -0.05 0.19 -0.04 2.88 2.98 2b82B1 ASN 11 HB3 0.00 0.20 -0.04 -0.04 2.79 2.91 2b82B1 ASN 11 HD21 0.00 0.06 -0.03 -0.04 7.03 7.03 2b82B1 ASN 11 HD22 0.00 0.12 -0.13 -0.04 7.74 7.69 2b82B1 VAL 12 H 0.00 0.22 0.17 -0.55 8.24 8.09 2b82B1 VAL 12 HA 0.00 0.12 0.31 -0.75 4.13 3.81 2b82B1 VAL 12 HB 0.00 0.02 0.10 -0.04 2.12 2.21 2b82B1 VAL 12 HG13 0.00 0.02 -0.05 -0.04 0.97 0.90 2b82B1 VAL 12 HG23 0.00 0.03 0.04 -0.04 0.95 0.98 2b82B1 ALA 13 H 0.00 0.05 -0.13 -0.55 8.40 7.78 2b82B1 ALA 13 HA 0.01 0.15 0.55 -0.75 4.34 4.28 2b82B1 ALA 13 HB3 0.01 0.02 0.05 -0.04 1.41 1.45 2b82B1 ARG 14 H 0.01 0.02 -0.18 -0.55 8.46 7.75 2b82B1 ARG 14 HA 0.01 0.10 0.41 -0.75 4.34 4.10 2b82B1 ARG 14 HB2 0.01 -0.05 0.19 -0.04 1.90 2.00 2b82B1 ARG 14 HB3 0.01 0.08 0.05 -0.04 1.80 1.90 2b82B1 ARG 14 HG2 0.01 0.04 0.00 -0.04 1.67 1.68 2b82B1 ARG 14 HG3 0.01 -0.10 0.04 -0.04 1.67 1.57 2b82B1 ARG 14 HD2 0.01 -0.01 0.04 -0.04 3.22 3.21 2b82B1 ARG 14 HD3 0.01 0.05 0.01 -0.04 3.22 3.25 2b82B1 LEU 15 H 0.00 0.31 -0.07 -0.55 8.37 8.07 2b82B1 LEU 15 HA 0.00 0.06 0.35 -0.75 4.35 4.01 2b82B1 LEU 15 HB2 0.00 -0.03 0.09 -0.04 1.64 1.66 2b82B1 LEU 15 HB3 0.00 0.01 -0.01 -0.04 1.64 1.60 2b82B1 LEU 15 HG 0.00 0.06 -0.01 -0.04 1.64 1.65 2b82B1 LEU 15 HD13 -0.00 -0.03 -0.13 -0.04 0.93 0.73 2b82B1 LEU 15 HD23 0.00 0.01 -0.03 -0.04 0.89 0.83 2b82B1 ALA 16 H 0.01 0.33 -0.32 -0.55 8.40 7.87 2b82B1 ALA 16 HA 0.00 0.11 0.66 -0.75 4.34 4.36 2b82B1 ALA 16 HB3 0.01 -0.02 0.10 -0.04 1.41 1.45 2b82B1 GLU 17 H 0.01 0.24 -0.41 -0.55 8.60 7.90 2b82B1 GLU 17 HA 0.02 -0.05 0.30 -0.75 4.29 3.80 2b82B1 GLU 17 HB2 0.02 0.07 0.12 -0.04 2.09 2.26 2b82B1 GLU 17 HB3 0.02 0.05 0.10 -0.04 1.99 2.11 2b82B1 GLU 17 HG2 0.03 0.02 -0.28 -0.04 2.34 2.07 2b82B1 GLU 17 HG3 0.02 -0.03 -0.02 -0.04 2.34 2.27 2b82B1 GLN 18 H 0.04 0.15 0.21 -0.55 8.47 8.32 2b82B1 GLN 18 HA 0.08 0.13 0.94 -0.75 4.36 4.76 2b82B1 GLN 18 HB2 0.07 -0.06 0.08 -0.04 2.15 2.20 2b82B1 GLN 18 HB3 0.12 0.06 0.05 -0.04 2.02 2.21 2b82B1 GLN 18 HG2 0.04 0.19 -0.06 -0.04 2.40 2.52 2b82B1 GLN 18 HG3 0.05 -0.07 0.01 -0.04 2.39 2.35 2b82B1 GLN 18 HE21 0.00 -0.07 -0.09 -0.04 6.97 6.77 2b82B1 GLN 18 HE22 0.02 0.26 -0.33 -0.04 7.69 7.60 2b82B1 ALA 19 H 0.12 0.11 0.10 -0.55 8.40 8.19 2b82B1 ALA 19 HA 0.04 0.14 0.68 -0.75 4.34 4.45 2b82B1 ALA 19 HB3 0.07 0.01 0.03 -0.04 1.41 1.47 2b82B1 PRO 20 HA 0.03 0.09 0.56 -0.51 4.44 4.61 2b82B1 PRO 20 HB2 -0.01 0.02 0.12 -0.04 2.28 2.37 2b82B1 PRO 20 HB3 0.01 0.03 0.10 -0.04 2.02 2.11 2b82B1 PRO 20 HG2 -0.02 0.02 0.14 -0.04 2.03 2.14 2b82B1 PRO 20 HG3 -0.00 0.02 0.10 -0.04 2.03 2.11 2b82B1 PRO 20 HD2 0.00 0.05 0.17 -0.04 3.68 3.86 2b82B1 PRO 20 HD3 0.02 0.19 0.22 -0.04 3.65 4.03 2b82B1 ILE 21 H 0.02 0.39 0.24 -0.55 8.25 8.34 2b82B1 ILE 21 HA -0.18 0.17 0.81 -0.75 4.18 4.23 2b82B1 ILE 21 HB -0.44 0.02 -0.01 -0.04 1.89 1.42 2b82B1 ILE 21 HG12 -0.25 0.05 -0.10 -0.04 1.49 1.16 2b82B1 ILE 21 HG13 -0.11 -0.09 -0.70 -0.04 1.21 0.27 2b82B1 ILE 21 HG23 -1.23 -0.03 -0.30 -0.04 0.93 -0.67 2b82B1 ILE 21 HD13 -0.15 -0.01 -0.10 -0.04 0.88 0.58 2b82B1 HIS 22 H -0.09 0.25 0.03 -0.55 8.41 8.06 2b82B1 HIS 22 HA -0.03 0.13 0.74 -0.75 4.63 4.72 2b82B1 HIS 22 HB2 -0.06 0.06 0.02 -0.04 3.26 3.24 2b82B1 HIS 22 HB3 -0.09 0.03 0.04 -0.04 3.20 3.13 2b82B1 HIS 22 HD2 0.04 0.17 -0.20 -0.04 6.97 6.95 2b82B1 HIS 22 HE1 0.00 0.02 -0.02 -0.04 7.75 7.70 2b82B1 TRP 23 H 0.25 0.33 0.07 -0.55 7.97 8.07 2b82B1 TRP 23 HA 0.04 0.22 0.71 -0.75 4.62 4.83 2b82B1 TRP 23 HB2 0.06 0.01 0.13 -0.04 3.23 3.39 2b82B1 TRP 23 HB3 0.04 -0.06 0.02 -0.04 3.23 3.19 2b82B1 TRP 23 HD1 0.04 0.09 0.07 -0.04 7.22 7.38 2b82B1 TRP 23 HE1 0.02 0.05 0.02 -0.04 10.20 10.25 2b82B1 TRP 23 HE3 0.02 0.13 -0.27 -0.04 7.59 7.43 2b82B1 TRP 23 HZ2 0.02 0.03 -0.03 -0.04 7.44 7.41 2b82B1 TRP 23 HZ3 0.01 0.06 -0.27 -0.04 7.13 6.89 2b82B1 TRP 23 HH2 0.02 -0.03 -0.06 -0.04 7.19 7.08 2b82B1 VAL 24 H 0.26 0.63 0.40 -0.55 8.24 8.98 2b82B1 VAL 24 HA 0.14 0.17 0.78 -0.75 4.13 4.47 2b82B1 VAL 24 HB 0.03 -0.02 0.05 -0.04 2.12 2.14 2b82B1 VAL 24 HG13 -0.15 0.04 -0.24 -0.04 0.97 0.58 2b82B1 VAL 24 HG23 0.02 -0.01 -0.30 -0.04 0.95 0.63 2b82B1 SER 25 H 0.07 0.15 0.17 -0.55 8.46 8.30 2b82B1 SER 25 HA 0.05 0.24 0.97 -0.75 4.49 5.00 2b82B1 SER 25 HB2 0.02 -0.01 0.18 -0.04 3.95 4.10 2b82B1 SER 25 HB3 0.04 0.12 0.07 -0.04 3.93 4.12 2b82B1 VAL 26 H 0.02 0.23 0.15 -0.55 8.24 8.09 2b82B1 VAL 26 HA 0.02 0.14 0.48 -0.75 4.13 4.01 2b82B1 VAL 26 HB -0.00 -0.03 0.10 -0.04 2.12 2.16 2b82B1 VAL 26 HG13 -0.02 0.04 -0.17 -0.04 0.97 0.78 2b82B1 VAL 26 HG23 -0.01 0.02 0.04 -0.04 0.95 0.95 2b82B1 ALA 27 H 0.01 0.08 -0.09 -0.55 8.40 7.85 2b82B1 ALA 27 HA 0.00 0.15 0.39 -0.75 4.34 4.13 2b82B1 ALA 27 HB3 0.01 0.02 0.05 -0.04 1.41 1.45 2b82B1 GLN 28 H 0.03 -0.03 -0.31 -0.55 8.47 7.61 2b82B1 GLN 28 HA 0.03 0.11 0.46 -0.75 4.36 4.20 2b82B1 GLN 28 HB2 0.05 -0.09 0.18 -0.04 2.15 2.25 2b82B1 GLN 28 HB3 0.05 0.10 0.03 -0.04 2.02 2.17 2b82B1 GLN 28 HG2 0.05 0.09 0.04 -0.04 2.40 2.54 2b82B1 GLN 28 HG3 0.04 -0.09 0.03 -0.04 2.39 2.33 2b82B1 GLN 28 HE21 0.07 0.06 0.01 -0.04 6.97 7.08 2b82B1 GLN 28 HE22 0.05 0.02 0.01 -0.04 7.69 7.73 2b82B1 ILE 29 H 0.03 0.42 -0.15 -0.55 8.25 8.00 2b82B1 ILE 29 HA 0.03 0.06 0.42 -0.75 4.18 3.94 2b82B1 ILE 29 HB 0.05 0.06 0.14 -0.04 1.89 2.10 2b82B1 ILE 29 HG12 0.05 0.01 -0.07 -0.04 1.49 1.45 2b82B1 ILE 29 HG13 0.05 0.02 -0.03 -0.04 1.21 1.20 2b82B1 ILE 29 HG23 0.12 0.01 -0.16 -0.04 0.93 0.86 2b82B1 ILE 29 HD13 0.16 -0.03 -0.16 -0.04 0.88 0.80 2b82B1 GLU 30 H -0.00 0.57 -0.08 -0.55 8.60 8.55 2b82B1 GLU 30 HA -0.04 0.07 0.32 -0.75 4.29 3.89 2b82B1 GLU 30 HB2 -0.04 -0.01 0.08 -0.04 2.09 2.08 2b82B1 GLU 30 HB3 -0.01 0.03 0.11 -0.04 1.99 2.08 2b82B1 GLU 30 HG2 -0.01 -0.01 -0.17 -0.04 2.34 2.11 2b82B1 GLU 30 HG3 -0.04 0.05 -0.01 -0.04 2.34 2.30 2b82B1 ASN 31 H 0.01 0.51 -0.17 -0.55 8.53 8.33 2b82B1 ASN 31 HA 0.01 0.01 0.47 -0.75 4.76 4.49 2b82B1 ASN 31 HB2 0.01 -0.01 0.13 -0.04 2.88 2.96 2b82B1 ASN 31 HB3 0.02 0.06 0.16 -0.04 2.79 2.99 2b82B1 ASN 31 HD21 0.01 -0.02 0.02 -0.04 7.03 7.00 2b82B1 ASN 31 HD22 0.01 -0.01 0.06 -0.04 7.74 7.75 2b82B1 SER 32 H 0.02 0.47 -0.22 -0.55 8.46 8.19 2b82B1 SER 32 HA 0.02 -0.01 0.40 -0.75 4.49 4.14 2b82B1 SER 32 HB2 0.02 -0.07 0.11 -0.04 3.95 3.98 2b82B1 SER 32 HB3 0.03 -0.00 0.14 -0.04 3.93 4.05 2b82B1 LEU 33 H 0.01 0.31 -0.55 -0.55 8.37 7.59 2b82B1 LEU 33 HA 0.02 0.13 0.75 -0.75 4.35 4.50 2b82B1 LEU 33 HB2 0.01 0.06 0.04 -0.04 1.64 1.71 2b82B1 LEU 33 HB3 0.03 -0.01 0.10 -0.04 1.64 1.72 2b82B1 LEU 33 HG 0.03 0.12 -0.10 -0.04 1.64 1.65 2b82B1 LEU 33 HD13 0.09 -0.04 -0.11 -0.04 0.93 0.83 2b82B1 LEU 33 HD23 0.04 0.01 -0.10 -0.04 0.89 0.80 2b82B1 ALA 34 H 0.01 0.37 -0.23 -0.55 8.40 8.00 2b82B1 ALA 34 HA 0.01 -0.03 0.35 -0.75 4.34 3.92 2b82B1 ALA 34 HB3 0.01 -0.02 0.14 -0.04 1.41 1.49 2b82B1 GLY 35 H 0.01 0.11 0.18 -0.55 8.43 8.18 2b82B1 GLY 35 HA2 0.01 -0.06 0.34 -0.51 4.01 3.79 2b82B1 GLY 35 HA3 0.01 0.05 0.50 -0.51 4.01 4.06 2b82B1 ARG 36 H 0.02 0.55 -0.33 -0.55 8.46 8.14 2b82B1 ARG 36 HA 0.02 0.04 0.64 -0.75 4.34 4.29 2b82B1 ARG 36 HB2 0.03 0.14 0.16 -0.04 1.90 2.18 2b82B1 ARG 36 HB3 0.02 0.03 0.01 -0.04 1.80 1.83 2b82B1 ARG 36 HG2 0.01 -0.06 -0.02 -0.04 1.67 1.56 2b82B1 ARG 36 HG3 0.02 0.07 -0.12 -0.04 1.67 1.60 2b82B1 ARG 36 HD2 0.02 0.01 0.04 -0.04 3.22 3.25 2b82B1 ARG 36 HD3 0.02 -0.00 0.01 -0.04 3.22 3.20 2b82B1 PRO 37 HA 0.02 0.08 0.41 -0.51 4.44 4.44 2b82B1 PRO 37 HB2 0.02 0.10 0.06 -0.04 2.28 2.43 2b82B1 PRO 37 HB3 0.02 -0.06 0.14 -0.04 2.02 2.08 2b82B1 PRO 37 HG2 0.02 0.05 0.04 -0.04 2.03 2.09 2b82B1 PRO 37 HG3 0.01 -0.04 0.09 -0.04 2.03 2.05 2b82B1 PRO 37 HD2 0.02 0.03 0.24 -0.04 3.68 3.92 2b82B1 PRO 37 HD3 0.01 0.17 0.26 -0.04 3.65 4.06 2b82B1 PRO 38 HA 0.06 0.01 0.32 -0.51 4.44 4.32 2b82B1 PRO 38 HB2 0.04 -0.10 0.05 -0.04 2.28 2.22 2b82B1 PRO 38 HB3 0.04 0.34 0.01 -0.04 2.02 2.37 2b82B1 PRO 38 HG2 0.03 -0.08 0.12 -0.04 2.03 2.06 2b82B1 PRO 38 HG3 0.04 0.23 0.18 -0.04 2.03 2.44 2b82B1 PRO 38 HD2 0.03 -0.01 0.22 -0.04 3.68 3.87 2b82B1 PRO 38 HD3 0.03 0.13 0.21 -0.04 3.65 3.98 2b82B1 MET 39 H 0.07 0.17 0.23 -0.55 8.47 8.39 2b82B1 MET 39 HA 0.04 0.13 0.69 -0.75 4.52 4.63 2b82B1 MET 39 HB2 0.02 -0.02 0.16 -0.04 2.15 2.28 2b82B1 MET 39 HB3 0.03 0.16 -0.14 -0.04 2.03 2.04 2b82B1 MET 39 HG2 0.07 -0.00 -0.05 -0.04 2.63 2.60 2b82B1 MET 39 HG3 0.04 -0.02 -0.37 -0.04 2.56 2.17 2b82B1 MET 39 HE3 0.04 0.05 -0.07 -0.04 2.10 2.08 2b82B1 ALA 40 H 0.05 0.24 0.22 -0.55 8.40 8.36 2b82B1 ALA 40 HA 0.17 0.21 0.93 -0.75 4.34 4.89 2b82B1 ALA 40 HB3 0.12 0.04 -0.00 -0.04 1.41 1.53 2b82B1 VAL 41 H 0.11 0.82 0.43 -0.55 8.24 9.05 2b82B1 VAL 41 HA -0.07 0.01 0.91 -0.75 4.13 4.22 2b82B1 VAL 41 HB -0.36 -0.03 0.13 -0.04 2.12 1.82 2b82B1 VAL 41 HG13 -0.15 0.00 -0.18 -0.04 0.97 0.60 2b82B1 VAL 41 HG23 -0.35 0.02 -0.10 -0.04 0.95 0.48 2b82B1 GLY 42 H -0.13 0.64 0.40 -0.55 8.43 8.80 2b82B1 GLY 42 HA2 0.12 0.31 1.05 -0.51 4.01 4.99 2b82B1 GLY 42 HA3 0.30 -0.05 0.24 -0.51 4.01 3.98 2b82B1 PHE 43 H 0.12 0.60 0.38 -0.55 8.34 8.90 2b82B1 PHE 43 HA -0.28 0.11 1.07 -0.75 4.62 4.76 2b82B1 PHE 43 HB2 -0.33 -0.02 0.13 -0.04 3.15 2.90 2b82B1 PHE 43 HB3 -0.01 0.13 0.03 -0.04 3.06 3.17 2b82B1 PHE 43 HD2 -0.32 0.05 -0.11 -0.04 7.28 6.85 2b82B1 PHE 43 HE2 -0.37 0.01 -0.14 -0.04 7.38 6.84 2b82B1 PHE 43 HZ -0.14 0.02 -0.29 -0.04 7.32 6.87 2b82B1 ASP 44 H -0.48 0.75 0.34 -0.55 8.40 8.45 2b82B1 ASP 44 HA 0.18 0.27 0.74 -0.75 4.63 5.06 2b82B1 ASP 44 HB2 -0.09 0.06 0.26 -0.04 2.71 2.90 2b82B1 ASP 44 HB3 -0.02 -0.01 0.17 -0.04 2.70 2.80 2b82B1 ILE 45 H 0.14 0.03 0.12 -0.55 8.25 7.99 2b82B1 ILE 45 HA 0.15 0.29 0.98 -0.75 4.18 4.85 2b82B1 ILE 45 HB 0.09 -0.11 0.15 -0.04 1.89 1.98 2b82B1 ILE 45 HG12 0.04 0.12 -0.13 -0.04 1.49 1.48 2b82B1 ILE 45 HG13 0.11 0.00 -0.22 -0.04 1.21 1.07 2b82B1 ILE 45 HG23 0.07 0.01 -0.14 -0.04 0.93 0.84 2b82B1 ILE 45 HD13 -0.14 0.01 -0.09 -0.04 0.88 0.61 2b82B1 ASP 46 H 0.14 0.06 0.17 -0.55 8.40 8.23 2b82B1 ASP 46 HA 0.15 0.13 0.45 -0.75 4.63 4.61 2b82B1 ASP 46 HB2 0.12 -0.00 0.18 -0.04 2.71 2.96 2b82B1 ASP 46 HB3 0.05 0.04 0.06 -0.04 2.70 2.80 2b82B1 ASP 47 H 0.12 0.59 0.43 -0.55 8.40 9.00 2b82B1 ASP 47 HA 0.17 0.04 0.32 -0.75 4.63 4.41 2b82B1 ASP 47 HB2 0.11 0.11 -0.01 -0.04 2.71 2.88 2b82B1 ASP 47 HB3 0.11 0.05 0.25 -0.04 2.70 3.06 2b82B1 THR 48 H 0.12 0.21 -0.61 -0.55 8.28 7.45 2b82B1 THR 48 HA 0.09 0.21 0.71 -0.75 4.39 4.65 2b82B1 THR 48 HB 0.11 0.05 -0.40 -0.04 4.32 4.04 2b82B1 THR 48 HG23 0.10 0.04 -0.24 -0.04 1.22 1.07 2b82B1 VAL 49 H 0.12 0.39 0.20 -0.55 8.24 8.40 2b82B1 VAL 49 HA 0.06 0.19 1.03 -0.75 4.13 4.65 2b82B1 VAL 49 HB -0.34 0.01 0.09 -0.04 2.12 1.85 2b82B1 VAL 49 HG13 -0.05 0.06 -0.09 -0.04 0.97 0.84 2b82B1 VAL 49 HG23 0.05 -0.01 -0.02 -0.04 0.95 0.93 2b82B1 LEU 50 H 0.15 0.33 0.20 -0.55 8.37 8.51 2b82B1 LEU 50 HA 0.21 0.32 0.80 -0.75 4.35 4.93 2b82B1 LEU 50 HB2 0.16 -0.15 -0.07 -0.04 1.64 1.54 2b82B1 LEU 50 HB3 0.17 0.02 -0.30 -0.04 1.64 1.49 2b82B1 LEU 50 HG 0.14 -0.05 -0.28 -0.04 1.64 1.42 2b82B1 LEU 50 HD13 0.09 -0.01 -0.12 -0.04 0.93 0.85 2b82B1 LEU 50 HD23 0.12 0.08 -0.24 -0.04 0.89 0.81 2b82B1 PHE 51 H 0.30 0.90 0.13 -0.55 8.34 9.11 2b82B1 PHE 51 HA 0.12 -0.02 0.89 -0.75 4.62 4.85 2b82B1 PHE 51 HB2 0.09 0.10 0.17 -0.04 3.15 3.46 2b82B1 PHE 51 HB3 0.09 0.05 0.35 -0.04 3.06 3.51 2b82B1 PHE 51 HD2 0.08 0.03 0.10 -0.04 7.28 7.45 2b82B1 PHE 51 HE2 0.03 0.02 -0.11 -0.04 7.38 7.28 2b82B1 PHE 51 HZ -0.01 0.30 -0.23 -0.04 7.32 7.33 2b82B1 SER 52 H -0.02 0.17 0.07 -0.55 8.46 8.14 2b82B1 SER 52 HA 0.16 0.24 0.67 -0.75 4.49 4.80 2b82B1 SER 52 HB2 0.39 0.01 0.09 -0.04 3.95 4.40 2b82B1 SER 52 HB3 0.23 0.05 -0.08 -0.04 3.93 4.09 2b82B1 SER 53 H -0.61 0.07 -0.09 -0.55 8.46 7.28 2b82B1 SER 53 HA 0.07 -0.01 0.43 -0.75 4.49 4.23 2b82B1 SER 53 HB2 -1.00 0.14 0.07 -0.04 3.95 3.11 2b82B1 SER 53 HB3 -0.15 0.13 0.03 -0.04 3.93 3.89 2b82B1 PRO 54 HA 0.09 0.08 0.44 -0.51 4.44 4.55 2b82B1 PRO 54 HB2 0.11 0.01 -0.05 -0.04 2.28 2.31 2b82B1 PRO 54 HB3 0.02 0.07 0.06 -0.04 2.02 2.13 2b82B1 PRO 54 HG2 0.24 0.42 0.08 -0.04 2.03 2.72 2b82B1 PRO 54 HG3 0.22 0.03 0.04 -0.04 2.03 2.28 2b82B1 PRO 54 HD2 0.06 0.00 -0.29 -0.04 3.68 3.41 2b82B1 PRO 54 HD3 -0.23 0.01 -0.10 -0.04 3.65 3.29 2b82B1 GLY 55 H 0.17 0.26 -0.19 -0.55 8.43 8.12 2b82B1 GLY 55 HA2 -0.13 0.08 0.43 -0.51 4.01 3.87 2b82B1 GLY 55 HA3 0.27 0.04 0.25 -0.51 4.01 4.05 2b82B1 PHE 56 H 0.48 0.31 -0.12 -0.55 8.34 8.46 2b82B1 PHE 56 HA 0.42 0.05 0.46 -0.75 4.62 4.79 2b82B1 PHE 56 HB2 0.16 -0.01 0.10 -0.04 3.15 3.36 2b82B1 PHE 56 HB3 0.22 0.05 -0.05 -0.04 3.06 3.24 2b82B1 PHE 56 HD2 0.19 0.13 -0.10 -0.04 7.28 7.46 2b82B1 PHE 56 HE2 0.29 -0.01 -0.06 -0.04 7.38 7.56 2b82B1 PHE 56 HZ 0.48 -0.05 -0.05 -0.04 7.32 7.66 2b82B1 TRP 57 H 0.35 0.71 -0.09 -0.55 7.97 8.40 2b82B1 TRP 57 HA -0.10 0.04 0.47 -0.75 4.62 4.28 2b82B1 TRP 57 HB2 -0.02 -0.04 0.10 -0.04 3.23 3.23 2b82B1 TRP 57 HB3 -0.08 0.11 0.18 -0.04 3.23 3.41 2b82B1 TRP 57 HD1 -0.12 0.01 -0.05 -0.04 7.22 7.01 2b82B1 TRP 57 HE1 -0.08 0.01 -0.04 -0.04 10.20 10.05 2b82B1 TRP 57 HE3 -0.04 -0.04 0.03 -0.04 7.59 7.50 2b82B1 TRP 57 HZ2 -0.04 0.01 -0.01 -0.04 7.44 7.35 2b82B1 TRP 57 HZ3 -0.03 0.03 0.01 -0.04 7.13 7.11 2b82B1 TRP 57 HH2 -0.03 0.03 0.00 -0.04 7.19 7.15 2b82B1 ARG 58 H -0.06 0.62 -0.01 -0.55 8.46 8.46 2b82B1 ARG 58 HA -0.44 0.04 0.45 -0.75 4.34 3.63 2b82B1 ARG 58 HB2 -0.53 0.06 0.13 -0.04 1.90 1.52 2b82B1 ARG 58 HB3 -0.82 0.04 0.15 -0.04 1.80 1.13 2b82B1 ARG 58 HG2 -1.56 -0.02 -0.05 -0.04 1.67 -0.01 2b82B1 ARG 58 HG3 -0.59 -0.04 -0.17 -0.04 1.67 0.83 2b82B1 ARG 58 HD2 -0.39 -0.00 0.04 -0.04 3.22 2.83 2b82B1 ARG 58 HD3 -0.52 0.01 0.00 -0.04 3.22 2.67 2b82B1 GLY 59 H 0.03 0.52 -0.29 -0.55 8.43 8.15 2b82B1 GLY 59 HA2 0.62 -0.01 0.37 -0.51 4.01 4.47 2b82B1 GLY 59 HA3 0.24 0.05 0.29 -0.51 4.01 4.07 2b82B1 LYS 60 H -0.67 0.60 -0.13 -0.55 8.42 7.67 2b82B1 LYS 60 HA -1.05 -0.10 0.43 -0.75 4.32 2.85 2b82B1 LYS 60 HB2 -1.24 -0.01 0.13 -0.04 1.87 0.71 2b82B1 LYS 60 HB3 -0.62 0.09 0.13 -0.04 1.79 1.34 2b82B1 LYS 60 HG2 -0.36 0.03 -0.18 -0.04 1.46 0.92 2b82B1 LYS 60 HG3 -0.41 -0.03 0.10 -0.04 1.46 1.08 2b82B1 LYS 60 HD2 -0.04 -0.08 0.02 -0.04 1.69 1.54 2b82B1 LYS 60 HD3 -0.17 -0.01 -0.01 -0.04 1.68 1.46 2b82B1 LYS 60 HE2 0.05 0.08 -0.00 -0.04 2.99 3.08 2b82B1 LYS 60 HE3 0.04 -0.06 -0.04 -0.04 2.99 2.89 2b82B1 LYS 61 H -0.60 0.50 -0.15 -0.55 8.42 7.62 2b82B1 LYS 61 HA -0.39 0.02 0.37 -0.75 4.32 3.56 2b82B1 LYS 61 HB2 -0.51 0.08 0.14 -0.04 1.87 1.54 2b82B1 LYS 61 HB3 -0.39 -0.04 0.03 -0.04 1.79 1.35 2b82B1 LYS 61 HG2 -0.72 -0.02 0.04 -0.04 1.46 0.72 2b82B1 LYS 61 HG3 -1.26 0.15 0.08 -0.04 1.46 0.39 2b82B1 LYS 61 HD2 -0.42 -0.02 0.00 -0.04 1.69 1.21 2b82B1 LYS 61 HD3 -0.89 -0.03 -0.01 -0.04 1.68 0.71 2b82B1 LYS 61 HE2 -1.39 -0.03 -0.23 -0.04 2.99 1.30 2b82B1 LYS 61 HE3 -0.55 0.02 -0.01 -0.04 2.99 2.41 2b82B1 THR 62 H -0.30 0.47 -0.23 -0.55 8.28 7.67 2b82B1 THR 62 HA -0.31 0.05 0.49 -0.75 4.39 3.87 2b82B1 THR 62 HB -0.51 -0.01 0.11 -0.04 4.32 3.87 2b82B1 THR 62 HG23 -0.76 -0.03 -0.07 -0.04 1.22 0.32 2b82B1 PHE 63 H -0.11 0.52 -0.03 -0.55 8.34 8.17 2b82B1 PHE 63 HA -0.02 0.18 0.74 -0.75 4.62 4.77 2b82B1 PHE 63 HB2 -0.02 0.07 0.10 -0.04 3.15 3.25 2b82B1 PHE 63 HB3 0.02 -0.09 0.04 -0.04 3.06 2.99 2b82B1 PHE 63 HD2 0.09 0.08 0.05 -0.04 7.28 7.46 2b82B1 PHE 63 HE2 0.13 -0.00 -0.05 -0.04 7.38 7.42 2b82B1 PHE 63 HZ -0.02 0.03 -0.13 -0.04 7.32 7.15 2b82B1 SER 64 H -0.08 0.53 0.03 -0.55 8.46 8.39 2b82B1 SER 64 HA 0.00 0.12 0.50 -0.75 4.49 4.36 2b82B1 SER 64 HB2 0.05 -0.15 0.08 -0.04 3.95 3.88 2b82B1 SER 64 HB3 0.09 0.10 -0.19 -0.04 3.93 3.90 2b82B1 PRO 65 HA -0.20 0.08 0.29 -0.51 4.44 4.10 2b82B1 PRO 65 HB2 -0.11 -0.01 0.01 -0.04 2.28 2.12 2b82B1 PRO 65 HB3 -0.18 0.10 0.16 -0.04 2.02 2.06 2b82B1 PRO 65 HG2 -0.07 -0.06 0.03 -0.04 2.03 1.90 2b82B1 PRO 65 HG3 -0.10 0.10 0.05 -0.04 2.03 2.03 2b82B1 PRO 65 HD2 -0.06 0.04 -0.02 -0.04 3.68 3.61 2b82B1 PRO 65 HD3 -0.12 0.29 -0.15 -0.04 3.65 3.62 2b82B1 GLU 66 H -0.04 -0.01 -0.40 -0.55 8.60 7.60 2b82B1 GLU 66 HA -0.02 0.23 0.78 -0.75 4.29 4.52 2b82B1 GLU 66 HB2 -0.01 -0.04 -0.00 -0.04 2.09 2.00 2b82B1 GLU 66 HB3 -0.01 0.00 0.10 -0.04 1.99 2.05 2b82B1 GLU 66 HG2 -0.02 0.04 -0.05 -0.04 2.34 2.27 2b82B1 GLU 66 HG3 -0.04 -0.06 -0.21 -0.04 2.34 1.99 2b82B1 SER 67 H 0.00 0.30 -0.13 -0.55 8.46 8.08 2b82B1 SER 67 HA 0.03 0.24 0.73 -0.75 4.49 4.74 2b82B1 SER 67 HB2 0.04 -0.05 0.20 -0.04 3.95 4.09 2b82B1 SER 67 HB3 0.02 0.10 -0.18 -0.04 3.93 3.84 2b82B1 GLU 68 H 0.06 0.18 0.15 -0.55 8.60 8.44 2b82B1 GLU 68 HA 0.21 0.26 0.89 -0.75 4.29 4.90 2b82B1 GLU 68 HB2 0.04 0.02 0.08 -0.04 2.09 2.19 2b82B1 GLU 68 HB3 0.03 -0.02 0.18 -0.04 1.99 2.15 2b82B1 GLU 68 HG2 0.07 -0.02 -0.07 -0.04 2.34 2.28 2b82B1 GLU 68 HG3 0.07 0.03 0.00 -0.04 2.34 2.41 2b82B1 ASP 69 H 0.07 0.12 -0.12 -0.55 8.40 7.93 2b82B1 ASP 69 HA 0.01 0.10 0.29 -0.75 4.63 4.28 2b82B1 ASP 69 HB2 0.05 0.03 0.06 -0.04 2.71 2.81 2b82B1 ASP 69 HB3 0.04 0.06 -0.01 -0.04 2.70 2.74 2b82B1 TYR 70 H 0.24 0.17 -0.41 -0.55 8.29 7.74 2b82B1 TYR 70 HA -0.15 0.06 0.30 -0.75 4.56 4.01 2b82B1 TYR 70 HB2 -0.39 0.01 -0.06 -0.04 3.06 2.57 2b82B1 TYR 70 HB3 -0.13 0.04 -0.05 -0.04 2.98 2.80 2b82B1 TYR 70 HD2 -1.08 -0.04 -0.15 -0.04 7.15 5.83 2b82B1 TYR 70 HE2 -0.22 -0.01 0.02 -0.04 6.85 6.60 2b82B1 LEU 71 H -0.60 0.39 -0.33 -0.55 8.37 7.28 2b82B1 LEU 71 HA -0.50 0.01 0.33 -0.75 4.35 3.44 2b82B1 LEU 71 HB2 -0.21 0.17 0.07 -0.04 1.64 1.63 2b82B1 LEU 71 HB3 0.03 -0.02 0.08 -0.04 1.64 1.68 2b82B1 LEU 71 HG -1.60 -0.04 0.01 -0.04 1.64 -0.03 2b82B1 LEU 71 HD13 -0.15 0.01 0.03 -0.04 0.93 0.78 2b82B1 LEU 71 HD23 -0.15 -0.02 -0.03 -0.04 0.89 0.65 2b82B1 LYS 72 H -0.03 0.46 -0.39 -0.55 8.42 7.91 2b82B1 LYS 72 HA 0.27 0.18 0.85 -0.75 4.32 4.87 2b82B1 LYS 72 HB2 0.05 0.03 0.08 -0.04 1.87 1.99 2b82B1 LYS 72 HB3 0.08 -0.01 0.19 -0.04 1.79 2.01 2b82B1 LYS 72 HG2 0.06 -0.08 -0.23 -0.04 1.46 1.16 2b82B1 LYS 72 HG3 0.05 -0.02 -0.01 -0.04 1.46 1.44 2b82B1 LYS 72 HD2 0.08 -0.00 0.06 -0.04 1.69 1.79 2b82B1 LYS 72 HD3 0.16 0.14 0.03 -0.04 1.68 1.97 2b82B1 LYS 72 HE2 0.08 -0.06 -0.09 -0.04 2.99 2.88 2b82B1 LYS 72 HE3 0.06 -0.04 -0.01 -0.04 2.99 2.96 2b82B1 ASN 73 H -0.01 0.42 -0.20 -0.55 8.53 8.20 2b82B1 ASN 73 HA 0.01 0.21 0.78 -0.75 4.76 5.01 2b82B1 ASN 73 HB2 -0.04 0.12 0.05 -0.04 2.88 2.96 2b82B1 ASN 73 HB3 -0.20 0.01 0.27 -0.04 2.79 2.83 2b82B1 ASN 73 HD21 0.05 0.04 0.02 -0.04 7.03 7.09 2b82B1 ASN 73 HD22 0.04 0.07 -0.02 -0.04 7.74 7.79 2b82B1 PRO 74 HA 0.19 0.09 0.35 -0.51 4.44 4.56 2b82B1 PRO 74 HB2 -0.01 0.02 -0.00 -0.04 2.28 2.25 2b82B1 PRO 74 HB3 0.04 0.10 0.11 -0.04 2.02 2.23 2b82B1 PRO 74 HG2 -0.01 -0.02 0.11 -0.04 2.03 2.06 2b82B1 PRO 74 HG3 0.01 0.10 0.11 -0.04 2.03 2.21 2b82B1 PRO 74 HD2 0.00 0.08 0.32 -0.04 3.68 4.04 2b82B1 PRO 74 HD3 0.06 0.34 0.27 -0.04 3.65 4.28 2b82B1 VAL 75 H -0.15 0.15 -0.23 -0.55 8.24 7.46 2b82B1 VAL 75 HA -0.16 0.09 0.48 -0.75 4.13 3.79 2b82B1 VAL 75 HB -0.41 0.02 0.03 -0.04 2.12 1.72 2b82B1 VAL 75 HG13 0.03 0.01 -0.03 -0.04 0.97 0.95 2b82B1 VAL 75 HG23 -0.04 0.02 0.03 -0.04 0.95 0.92 2b82B1 PHE 76 H -0.55 0.19 -0.17 -0.55 8.34 7.25 2b82B1 PHE 76 HA -0.81 0.04 0.47 -0.75 4.62 3.57 2b82B1 PHE 76 HB2 -0.72 -0.03 0.13 -0.04 3.15 2.49 2b82B1 PHE 76 HB3 -0.70 0.32 0.24 -0.04 3.06 2.88 2b82B1 PHE 76 HD2 -0.86 0.08 -0.01 -0.04 7.28 6.45 2b82B1 PHE 76 HE2 -0.97 0.07 -0.07 -0.04 7.38 6.36 2b82B1 PHE 76 HZ -1.21 -0.08 -0.13 -0.04 7.32 5.86 2b82B1 TRP 77 H -0.28 0.42 -0.15 -0.55 7.97 7.41 2b82B1 TRP 77 HA -0.68 -0.05 0.35 -0.75 4.62 3.48 2b82B1 TRP 77 HB2 -0.18 0.10 0.04 -0.04 3.23 3.15 2b82B1 TRP 77 HB3 -0.21 0.08 -0.06 -0.04 3.23 3.00 2b82B1 TRP 77 HD1 -0.02 0.01 -0.31 -0.04 7.22 6.85 2b82B1 TRP 77 HE1 0.06 0.42 -0.08 -0.04 10.20 10.57 2b82B1 TRP 77 HE3 -0.26 -0.01 0.01 -0.04 7.59 7.29 2b82B1 TRP 77 HZ2 0.15 0.15 0.08 -0.04 7.44 7.78 2b82B1 TRP 77 HZ3 0.08 -0.07 -0.03 -0.04 7.13 7.08 2b82B1 TRP 77 HH2 0.46 -0.04 -0.04 -0.04 7.19 7.54 2b82B1 GLU 78 H -0.16 0.49 -0.22 -0.55 8.60 8.16 2b82B1 GLU 78 HA -0.16 0.02 0.48 -0.75 4.29 3.88 2b82B1 GLU 78 HB2 -0.17 0.12 0.19 -0.04 2.09 2.19 2b82B1 GLU 78 HB3 -0.16 -0.02 -0.00 -0.04 1.99 1.77 2b82B1 GLU 78 HG2 -0.09 0.05 0.10 -0.04 2.34 2.36 2b82B1 GLU 78 HG3 -0.09 -0.00 0.04 -0.04 2.34 2.25 2b82B1 LYS 79 H -0.49 0.49 -0.15 -0.55 8.42 7.72 2b82B1 LYS 79 HA -0.62 0.05 0.43 -0.75 4.32 3.42 2b82B1 LYS 79 HB2 -1.27 0.13 0.17 -0.04 1.87 0.85 2b82B1 LYS 79 HB3 -2.70 -0.07 0.00 -0.04 1.79 -1.03 2b82B1 LYS 79 HG2 -0.31 0.22 0.08 -0.04 1.46 1.41 2b82B1 LYS 79 HG3 -0.31 -0.02 -0.00 -0.04 1.46 1.09 2b82B1 LYS 79 HD2 -0.34 -0.03 -0.07 -0.04 1.69 1.21 2b82B1 LYS 79 HD3 -0.12 0.01 -0.03 -0.04 1.68 1.50 2b82B1 LYS 79 HE2 0.05 0.02 -0.03 -0.04 2.99 2.99 2b82B1 LYS 79 HE3 -0.57 -0.06 -0.02 -0.04 2.99 2.30 2b82B1 MET 80 H -0.75 0.66 -0.08 -0.55 8.47 7.75 2b82B1 MET 80 HA -0.09 -0.07 0.37 -0.75 4.52 3.98 2b82B1 MET 80 HB2 -1.28 0.12 0.03 -0.04 2.15 0.98 2b82B1 MET 80 HB3 -0.36 0.09 0.06 -0.04 2.03 1.79 2b82B1 MET 80 HG2 -0.46 -0.01 -0.08 -0.04 2.63 2.04 2b82B1 MET 80 HG3 -0.01 -0.06 -0.07 -0.04 2.56 2.38 2b82B1 MET 80 HE3 0.23 -0.01 -0.03 -0.04 2.10 2.24 2b82B1 ASN 81 H -0.18 0.62 -0.24 -0.55 8.53 8.18 2b82B1 ASN 81 HA 0.06 0.04 0.66 -0.75 4.76 4.77 2b82B1 ASN 81 HB2 -0.13 0.23 0.13 -0.04 2.88 3.07 2b82B1 ASN 81 HB3 -0.12 -0.16 0.23 -0.04 2.79 2.70 2b82B1 ASN 81 HD21 -0.10 0.16 -0.05 -0.04 7.03 7.00 2b82B1 ASN 81 HD22 -0.32 -0.01 -0.05 -0.04 7.74 7.32 2b82B1 ASN 82 H -0.16 0.32 -0.37 -0.55 8.53 7.79 2b82B1 ASN 82 HA -0.05 0.00 0.91 -0.75 4.76 4.88 2b82B1 ASN 82 HB2 -0.15 0.29 0.10 -0.04 2.88 3.08 2b82B1 ASN 82 HB3 -0.08 -0.02 0.16 -0.04 2.79 2.81 2b82B1 ASN 82 HD21 -0.13 0.29 -0.06 -0.04 7.03 7.08 2b82B1 ASN 82 HD22 -0.15 0.37 0.07 -0.04 7.74 7.99 2b82B1 GLY 83 H 0.01 0.00 -0.08 -0.55 8.43 7.82 2b82B1 GLY 83 HA2 0.06 0.04 0.25 -0.51 4.01 3.85 2b82B1 GLY 83 HA3 0.07 0.24 0.70 -0.51 4.01 4.50 2b82B1 TRP 84 H 0.14 0.46 0.19 -0.55 7.97 8.21 2b82B1 TRP 84 HA 0.24 0.15 0.42 -0.75 4.62 4.67 2b82B1 TRP 84 HB2 0.02 0.05 0.09 -0.04 3.23 3.34 2b82B1 TRP 84 HB3 0.11 -0.09 0.09 -0.04 3.23 3.31 2b82B1 TRP 84 HD1 0.16 -0.01 -0.20 -0.04 7.22 7.13 2b82B1 TRP 84 HE1 0.08 0.04 -0.06 -0.04 10.20 10.21 2b82B1 TRP 84 HE3 0.02 -0.07 -0.04 -0.04 7.59 7.46 2b82B1 TRP 84 HZ2 0.04 0.04 -0.06 -0.04 7.44 7.42 2b82B1 TRP 84 HZ3 0.39 -0.03 0.00 -0.04 7.13 7.46 2b82B1 TRP 84 HH2 0.18 0.04 -0.11 -0.04 7.19 7.25 2b82B1 ASP 85 H 0.20 0.08 -0.27 -0.55 8.40 7.86 2b82B1 ASP 85 HA 0.20 0.03 0.57 -0.75 4.63 4.68 2b82B1 ASP 85 HB2 0.09 0.00 -0.02 -0.04 2.71 2.74 2b82B1 ASP 85 HB3 0.09 0.07 0.06 -0.04 2.70 2.87 2b82B1 GLU 86 H 0.11 0.47 -0.38 -0.55 8.60 8.25 2b82B1 GLU 86 HA -0.06 0.08 0.56 -0.75 4.29 4.12 2b82B1 GLU 86 HB2 -0.20 0.06 0.08 -0.04 2.09 1.98 2b82B1 GLU 86 HB3 -0.29 -0.00 0.04 -0.04 1.99 1.70 2b82B1 GLU 86 HG2 0.00 -0.01 0.09 -0.04 2.34 2.39 2b82B1 GLU 86 HG3 -0.06 -0.01 0.06 -0.04 2.34 2.29 2b82B1 PHE 87 H 0.22 0.35 -0.31 -0.55 8.34 8.05 2b82B1 PHE 87 HA 0.05 0.19 0.72 -0.75 4.62 4.82 2b82B1 PHE 87 HB2 0.04 0.09 0.07 -0.04 3.15 3.30 2b82B1 PHE 87 HB3 0.04 -0.07 0.10 -0.04 3.06 3.09 2b82B1 PHE 87 HD2 0.00 0.02 0.03 -0.04 7.28 7.29 2b82B1 PHE 87 HE2 -0.01 -0.00 -0.04 -0.04 7.38 7.29 2b82B1 PHE 87 HZ -0.01 0.00 -0.04 -0.04 7.32 7.23 2b82B1 SER 88 H 0.17 0.20 -0.29 -0.55 8.46 7.99 2b82B1 SER 88 HA 0.22 0.18 0.74 -0.75 4.49 4.88 2b82B1 SER 88 HB2 0.13 0.19 0.10 -0.04 3.95 4.33 2b82B1 SER 88 HB3 0.16 -0.13 -0.24 -0.04 3.93 3.68 2b82B1 ILE 89 H 0.28 0.37 0.27 -0.55 8.25 8.62 2b82B1 ILE 89 HA 0.08 0.30 0.77 -0.75 4.18 4.58 2b82B1 ILE 89 HB 0.20 -0.15 0.22 -0.04 1.89 2.11 2b82B1 ILE 89 HG12 0.09 0.06 -0.06 -0.04 1.49 1.55 2b82B1 ILE 89 HG13 0.20 0.09 -0.08 -0.04 1.21 1.38 2b82B1 ILE 89 HG23 0.05 0.04 -0.05 -0.04 0.93 0.92 2b82B1 ILE 89 HD13 0.09 -0.03 0.04 -0.04 0.88 0.94 2b82B1 PRO 90 HA 0.17 0.16 0.60 -0.51 4.44 4.86 2b82B1 PRO 90 HB2 -0.13 -0.00 -0.01 -0.04 2.28 2.09 2b82B1 PRO 90 HB3 -0.52 0.06 0.04 -0.04 2.02 1.56 2b82B1 PRO 90 HG2 -0.26 0.08 0.08 -0.04 2.03 1.88 2b82B1 PRO 90 HG3 -0.24 0.02 0.04 -0.04 2.03 1.80 2b82B1 PRO 90 HD2 -0.03 0.07 0.22 -0.04 3.68 3.90 2b82B1 PRO 90 HD3 -0.02 0.41 0.31 -0.04 3.65 4.31 2b82B1 LYS 91 H 0.29 0.60 0.25 -0.55 8.42 9.00 2b82B1 LYS 91 HA 0.13 0.02 0.69 -0.75 4.32 4.42 2b82B1 LYS 91 HB2 0.13 0.06 0.05 -0.04 1.87 2.07 2b82B1 LYS 91 HB3 0.08 0.04 -0.03 -0.04 1.79 1.83 2b82B1 LYS 91 HG2 0.16 -0.01 -0.17 -0.04 1.46 1.40 2b82B1 LYS 91 HG3 0.20 -0.06 -0.43 -0.04 1.46 1.12 2b82B1 LYS 91 HD2 0.20 -0.16 -0.43 -0.04 1.69 1.26 2b82B1 LYS 91 HD3 0.13 0.03 -0.80 -0.04 1.68 1.00 2b82B1 LYS 91 HE2 0.07 0.03 -0.11 -0.04 2.99 2.94 2b82B1 LYS 91 HE3 0.10 -0.11 -0.37 -0.04 2.99 2.57 2b82B1 GLU 92 H 0.11 0.01 0.19 -0.55 8.60 8.36 2b82B1 GLU 92 HA 0.10 0.11 0.45 -0.75 4.29 4.20 2b82B1 GLU 92 HB2 0.04 0.03 0.17 -0.04 2.09 2.28 2b82B1 GLU 92 HB3 0.06 0.03 0.04 -0.04 1.99 2.07 2b82B1 GLU 92 HG2 0.11 0.06 0.06 -0.04 2.34 2.52 2b82B1 GLU 92 HG3 0.16 -0.01 0.11 -0.04 2.34 2.55 2b82B1 VAL 93 H -0.05 0.44 -0.12 -0.55 8.24 7.97 2b82B1 VAL 93 HA -0.05 0.03 0.42 -0.75 4.13 3.77 2b82B1 VAL 93 HB -0.11 0.07 0.09 -0.04 2.12 2.14 2b82B1 VAL 93 HG13 -0.01 0.04 0.01 -0.04 0.97 0.97 2b82B1 VAL 93 HG23 -0.03 -0.02 -0.03 -0.04 0.95 0.83 2b82B1 ALA 94 H 0.03 0.16 -0.38 -0.55 8.40 7.67 2b82B1 ALA 94 HA -0.13 0.02 0.42 -0.75 4.34 3.90 2b82B1 ALA 94 HB3 -0.22 0.09 0.16 -0.04 1.41 1.40 2b82B1 ARG 95 H 0.16 0.40 -0.06 -0.55 8.46 8.40 2b82B1 ARG 95 HA 0.27 0.08 0.46 -0.75 4.34 4.39 2b82B1 ARG 95 HB2 0.12 0.08 0.18 -0.04 1.90 2.23 2b82B1 ARG 95 HB3 0.15 0.01 0.03 -0.04 1.80 1.96 2b82B1 ARG 95 HG2 0.29 0.05 0.00 -0.04 1.67 1.97 2b82B1 ARG 95 HG3 0.26 0.07 -0.06 -0.04 1.67 1.90 2b82B1 ARG 95 HD2 0.10 -0.07 -0.00 -0.04 3.22 3.20 2b82B1 ARG 95 HD3 0.11 0.04 0.00 -0.04 3.22 3.33 2b82B1 GLN 96 H 0.03 0.48 -0.22 -0.55 8.47 8.21 2b82B1 GLN 96 HA 0.03 0.06 0.38 -0.75 4.36 4.07 2b82B1 GLN 96 HB2 -0.01 0.09 0.16 -0.04 2.15 2.35 2b82B1 GLN 96 HB3 -0.00 -0.09 0.03 -0.04 2.02 1.92 2b82B1 GLN 96 HG2 0.02 -0.03 0.02 -0.04 2.40 2.37 2b82B1 GLN 96 HG3 0.03 0.04 0.04 -0.04 2.39 2.46 2b82B1 GLN 96 HE21 0.00 -0.05 -0.08 -0.04 6.97 6.80 2b82B1 GLN 96 HE22 0.04 0.01 -0.03 -0.04 7.69 7.67 2b82B1 LEU 97 H -0.04 0.56 -0.02 -0.55 8.37 8.33 2b82B1 LEU 97 HA -0.02 0.00 0.47 -0.75 4.35 4.05 2b82B1 LEU 97 HB2 -0.02 0.05 0.14 -0.04 1.64 1.77 2b82B1 LEU 97 HB3 0.03 -0.01 -0.06 -0.04 1.64 1.56 2b82B1 LEU 97 HG -0.10 0.07 0.05 -0.04 1.64 1.62 2b82B1 LEU 97 HD13 -0.50 -0.02 -0.12 -0.04 0.93 0.25 2b82B1 LEU 97 HD23 -0.16 -0.02 -0.03 -0.04 0.89 0.64 2b82B1 ILE 98 H -0.11 0.70 -0.09 -0.55 8.25 8.20 2b82B1 ILE 98 HA 0.04 0.01 0.42 -0.75 4.18 3.89 2b82B1 ILE 98 HB -0.18 0.13 0.14 -0.04 1.89 1.94 2b82B1 ILE 98 HG12 -0.75 -0.02 -0.05 -0.04 1.49 0.63 2b82B1 ILE 98 HG13 -0.84 -0.07 0.01 -0.04 1.21 0.27 2b82B1 ILE 98 HG23 -0.02 0.01 -0.15 -0.04 0.93 0.72 2b82B1 ILE 98 HD13 -0.99 -0.02 -0.09 -0.04 0.88 -0.26 2b82B1 ASP 99 H 0.03 0.60 -0.08 -0.55 8.40 8.41 2b82B1 ASP 99 HA 0.06 0.06 0.46 -0.75 4.63 4.46 2b82B1 ASP 99 HB2 0.03 0.06 0.16 -0.04 2.71 2.92 2b82B1 ASP 99 HB3 0.04 -0.08 0.02 -0.04 2.70 2.64 2b82B1 MET 100 H 0.00 0.40 -0.35 -0.55 8.47 7.97 2b82B1 MET 100 HA -0.03 -0.01 0.38 -0.75 4.52 4.11 2b82B1 MET 100 HB2 -0.05 -0.00 0.11 -0.04 2.15 2.17 2b82B1 MET 100 HB3 -0.13 0.12 0.19 -0.04 2.03 2.16 2b82B1 MET 100 HG2 -0.10 -0.01 0.02 -0.04 2.63 2.50 2b82B1 MET 100 HG3 -0.09 -0.09 -0.02 -0.04 2.56 2.32 2b82B1 MET 100 HE3 -0.16 -0.01 -0.05 -0.04 2.10 1.83 2b82B1 HIS 101 H 0.07 0.56 -0.06 -0.55 8.41 8.43 2b82B1 HIS 101 HA 0.06 0.04 0.47 -0.75 4.63 4.44 2b82B1 HIS 101 HB2 0.13 0.06 0.10 -0.04 3.26 3.51 2b82B1 HIS 101 HB3 0.10 0.01 -0.04 -0.04 3.20 3.23 2b82B1 HIS 101 HD2 0.19 0.03 -0.10 -0.04 6.97 7.04 2b82B1 HIS 101 HE1 0.08 0.03 -0.09 -0.04 7.75 7.73 2b82B1 VAL 102 H 0.10 0.62 -0.14 -0.55 8.24 8.27 2b82B1 VAL 102 HA 0.07 0.07 0.59 -0.75 4.13 4.10 2b82B1 VAL 102 HB 0.06 0.10 0.18 -0.04 2.12 2.41 2b82B1 VAL 102 HG13 0.04 -0.02 -0.02 -0.04 0.97 0.94 2b82B1 VAL 102 HG23 0.06 0.04 0.03 -0.04 0.95 1.04 2b82B1 ARG 103 H 0.03 0.55 -0.10 -0.55 8.46 8.38 2b82B1 ARG 103 HA 0.02 -0.03 0.41 -0.75 4.34 3.99 2b82B1 ARG 103 HB2 -0.00 0.19 0.22 -0.04 1.90 2.27 2b82B1 ARG 103 HB3 0.00 -0.06 -0.02 -0.04 1.80 1.68 2b82B1 ARG 103 HG2 0.01 -0.06 0.06 -0.04 1.67 1.65 2b82B1 ARG 103 HG3 0.01 0.13 0.05 -0.04 1.67 1.82 2b82B1 ARG 103 HD2 0.00 -0.02 -0.00 -0.04 3.22 3.16 2b82B1 ARG 103 HD3 0.01 -0.07 -0.01 -0.04 3.22 3.11 2b82B1 ARG 104 H 0.03 0.35 -0.30 -0.55 8.46 7.98 2b82B1 ARG 104 HA 0.02 0.03 0.44 -0.75 4.34 4.08 2b82B1 ARG 104 HB2 0.08 0.03 0.13 -0.04 1.90 2.10 2b82B1 ARG 104 HB3 0.06 0.02 0.02 -0.04 1.80 1.87 2b82B1 ARG 104 HG2 0.00 -0.03 -0.02 -0.04 1.67 1.59 2b82B1 ARG 104 HG3 -0.04 0.12 0.02 -0.04 1.67 1.72 2b82B1 ARG 104 HD2 -0.02 -0.02 -0.06 -0.04 3.22 3.07 2b82B1 ARG 104 HD3 -0.14 -0.10 -0.11 -0.04 3.22 2.84 2b82B1 GLY 105 H 0.05 0.37 -0.46 -0.55 8.43 7.85 2b82B1 GLY 105 HA2 0.04 -0.00 0.31 -0.51 4.01 3.85 2b82B1 GLY 105 HA3 0.04 0.02 0.61 -0.51 4.01 4.17 2b82B1 ASP 106 H 0.10 0.41 -0.00 -0.55 8.40 8.36 2b82B1 ASP 106 HA 0.08 -0.02 0.56 -0.75 4.63 4.49 2b82B1 ASP 106 HB2 0.20 -0.06 0.04 -0.04 2.71 2.84 2b82B1 ASP 106 HB3 0.09 0.11 0.05 -0.04 2.70 2.91 2b82B1 ALA 107 H 0.07 0.37 0.23 -0.55 8.40 8.52 2b82B1 ALA 107 HA -0.03 0.17 0.79 -0.75 4.34 4.51 2b82B1 ALA 107 HB3 0.06 -0.02 0.06 -0.04 1.41 1.47 2b82B1 ILE 108 H -0.15 0.83 0.28 -0.55 8.25 8.65 2b82B1 ILE 108 HA -0.02 0.14 0.90 -0.75 4.18 4.45 2b82B1 ILE 108 HB -0.08 0.06 0.01 -0.04 1.89 1.84 2b82B1 ILE 108 HG12 0.09 -0.06 -0.21 -0.04 1.49 1.27 2b82B1 ILE 108 HG13 0.03 0.15 -0.42 -0.04 1.21 0.92 2b82B1 ILE 108 HG23 -0.31 -0.05 -0.22 -0.04 0.93 0.30 2b82B1 ILE 108 HD13 0.04 -0.04 -0.13 -0.04 0.88 0.71 2b82B1 PHE 109 H 0.11 0.62 0.41 -0.55 8.34 8.92 2b82B1 PHE 109 HA -0.05 0.19 0.89 -0.75 4.62 4.90 2b82B1 PHE 109 HB2 -0.01 0.03 0.04 -0.04 3.15 3.16 2b82B1 PHE 109 HB3 -0.01 -0.07 -0.08 -0.04 3.06 2.86 2b82B1 PHE 109 HD2 -0.00 0.06 -0.10 -0.04 7.28 7.19 2b82B1 PHE 109 HE2 0.03 -0.00 -0.08 -0.04 7.38 7.28 2b82B1 PHE 109 HZ 0.03 0.01 -0.05 -0.04 7.32 7.27 2b82B1 PHE 110 H 0.23 0.29 0.12 -0.55 8.34 8.43 2b82B1 PHE 110 HA 0.18 0.32 0.94 -0.75 4.62 5.31 2b82B1 PHE 110 HB2 -0.05 -0.08 0.12 -0.04 3.15 3.10 2b82B1 PHE 110 HB3 -0.02 -0.09 -0.04 -0.04 3.06 2.87 2b82B1 PHE 110 HD2 -0.01 0.07 -0.12 -0.04 7.28 7.18 2b82B1 PHE 110 HE2 -0.30 0.02 -0.12 -0.04 7.38 6.94 2b82B1 PHE 110 HZ -0.36 0.05 -0.14 -0.04 7.32 6.82 2b82B1 VAL 111 H 0.30 0.60 0.12 -0.55 8.24 8.71 2b82B1 VAL 111 HA -0.09 0.28 1.02 -0.75 4.13 4.59 2b82B1 VAL 111 HB 0.16 -0.06 0.01 -0.04 2.12 2.19 2b82B1 VAL 111 HG13 -0.12 0.00 -0.11 -0.04 0.97 0.69 2b82B1 VAL 111 HG23 0.00 0.02 -0.28 -0.04 0.95 0.66 2b82B1 THR 112 H -0.17 0.77 0.34 -0.55 8.28 8.67 2b82B1 THR 112 HA 0.07 0.04 0.99 -0.75 4.39 4.73 2b82B1 THR 112 HB -0.07 0.00 -0.04 -0.04 4.32 4.17 2b82B1 THR 112 HG23 -0.48 0.10 -0.04 -0.04 1.22 0.76 2b82B1 GLY 113 H 0.07 0.06 0.18 -0.55 8.43 8.19 2b82B1 GLY 113 HA2 0.00 0.37 0.53 -0.51 4.01 4.40 2b82B1 GLY 113 HA3 0.05 -0.02 0.25 -0.51 4.01 3.79 2b82B1 ARG 114 H -0.00 -0.12 -0.24 -0.55 8.46 7.55 2b82B1 ARG 114 HA -0.75 0.06 0.46 -0.75 4.34 3.36 2b82B1 ARG 114 HB2 0.09 -0.03 -0.08 -0.04 1.90 1.84 2b82B1 ARG 114 HB3 -0.10 0.17 -0.06 -0.04 1.80 1.76 2b82B1 ARG 114 HG2 0.58 0.03 0.01 -0.04 1.67 2.25 2b82B1 ARG 114 HG3 0.22 -0.17 0.03 -0.04 1.67 1.71 2b82B1 ARG 114 HD2 0.31 0.02 -0.06 -0.04 3.22 3.45 2b82B1 ARG 114 HD3 0.47 0.08 -0.07 -0.04 3.22 3.66 2b82B1 SER 115 H -2.29 0.08 0.12 -0.55 8.46 5.82 2b82B1 SER 115 HA -0.39 0.13 0.50 -0.75 4.49 3.98 2b82B1 SER 115 HB2 -1.60 -0.09 0.06 -0.04 3.95 2.28 2b82B1 SER 115 HB3 -0.43 0.15 0.02 -0.04 3.93 3.63 2b82B1 PRO 116 HA -0.48 -0.01 0.51 -0.51 4.44 3.95 2b82B1 PRO 116 HB2 -0.12 0.05 -0.05 -0.04 2.28 2.11 2b82B1 PRO 116 HB3 -0.08 0.06 0.12 -0.04 2.02 2.09 2b82B1 PRO 116 HG2 -0.08 -0.01 0.05 -0.04 2.03 1.94 2b82B1 PRO 116 HG3 -0.02 0.12 0.05 -0.04 2.03 2.13 2b82B1 PRO 116 HD2 -0.16 0.02 0.17 -0.04 3.68 3.67 2b82B1 PRO 116 HD3 -0.07 0.26 0.02 -0.04 3.65 3.81 2b82B1 THR 117 H -0.46 0.17 0.12 -0.55 8.28 7.57 2b82B1 THR 117 HA -0.14 0.16 0.77 -0.75 4.39 4.42 2b82B1 THR 117 HB -0.15 -0.12 0.11 -0.04 4.32 4.11 2b82B1 THR 117 HG23 -0.10 0.05 -0.42 -0.04 1.22 0.71 2b82B1 LYS 118 H -0.10 0.10 0.13 -0.55 8.42 8.00 2b82B1 LYS 118 HA -0.08 0.09 0.39 -0.75 4.32 3.97 2b82B1 LYS 118 HB2 -0.06 0.00 0.13 -0.04 1.87 1.90 2b82B1 LYS 118 HB3 -0.07 -0.05 0.13 -0.04 1.79 1.77 2b82B1 LYS 118 HG2 -0.05 0.01 -0.17 -0.04 1.46 1.21 2b82B1 LYS 118 HG3 -0.04 0.02 0.05 -0.04 1.46 1.45 2b82B1 LYS 118 HD2 -0.03 0.01 -0.01 -0.04 1.69 1.62 2b82B1 LYS 118 HD3 -0.04 -0.00 0.02 -0.04 1.68 1.62 2b82B1 LYS 118 HE2 -0.05 -0.03 0.01 -0.04 2.99 2.89 2b82B1 LYS 118 HE3 -0.04 0.00 -0.03 -0.04 2.99 2.88 2b82B1 THR 119 H -0.11 0.09 -0.01 -0.55 8.28 7.70 2b82B1 THR 119 HA -0.08 0.23 0.80 -0.75 4.39 4.58 2b82B1 THR 119 HB -0.06 0.01 0.06 -0.04 4.32 4.29 2b82B1 THR 119 HG23 -0.05 0.00 -0.13 -0.04 1.22 1.00 2b82B1 GLU 120 H -0.07 0.30 0.18 -0.55 8.60 8.47 2b82B1 GLU 120 HA -0.09 0.24 0.52 -0.75 4.29 4.21 2b82B1 GLU 120 HB2 -0.01 -0.15 0.18 -0.04 2.09 2.07 2b82B1 GLU 120 HB3 -0.38 0.14 -0.06 -0.04 1.99 1.65 2b82B1 GLU 120 HG2 -0.14 0.11 -0.05 -0.04 2.34 2.22 2b82B1 GLU 120 HG3 -0.04 0.03 0.06 -0.04 2.34 2.35 2b82B1 THR 121 H -0.00 0.77 0.39 -0.55 8.28 8.89 2b82B1 THR 121 HA 0.01 0.20 0.94 -0.75 4.39 4.78 2b82B1 THR 121 HB -0.00 -0.01 0.15 -0.04 4.32 4.41 2b82B1 THR 121 HG23 -0.02 0.03 -0.09 -0.04 1.22 1.10 2b82B1 VAL 122 H 0.10 0.19 0.06 -0.55 8.24 8.04 2b82B1 VAL 122 HA 0.03 0.09 0.43 -0.75 4.13 3.93 2b82B1 VAL 122 HB 0.22 0.02 0.08 -0.04 2.12 2.39 2b82B1 VAL 122 HG13 -0.02 0.00 -0.07 -0.04 0.97 0.84 2b82B1 VAL 122 HG23 0.20 0.04 0.11 -0.04 0.95 1.25 2b82B1 SER 123 H 0.07 0.14 -0.12 -0.55 8.46 7.99 2b82B1 SER 123 HA -0.07 0.10 0.41 -0.75 4.49 4.17 2b82B1 SER 123 HB2 0.03 0.04 0.04 -0.04 3.95 4.03 2b82B1 SER 123 HB3 0.02 0.14 -0.02 -0.04 3.93 4.03 2b82B1 LYS 124 H 0.00 0.07 -0.36 -0.55 8.42 7.58 2b82B1 LYS 124 HA -0.01 0.10 0.44 -0.75 4.32 4.10 2b82B1 LYS 124 HB2 -0.00 0.00 0.08 -0.04 1.87 1.91 2b82B1 LYS 124 HB3 -0.01 0.11 0.11 -0.04 1.79 1.96 2b82B1 LYS 124 HG2 -0.02 0.01 -0.25 -0.04 1.46 1.17 2b82B1 LYS 124 HG3 -0.01 0.01 0.01 -0.04 1.46 1.43 2b82B1 LYS 124 HD2 -0.01 0.01 0.00 -0.04 1.69 1.65 2b82B1 LYS 124 HD3 -0.01 -0.01 -0.01 -0.04 1.68 1.62 2b82B1 LYS 124 HE2 -0.01 0.01 -0.02 -0.04 2.99 2.93 2b82B1 LYS 124 HE3 -0.01 0.00 -0.05 -0.04 2.99 2.89 2b82B1 THR 125 H -0.02 0.46 -0.08 -0.55 8.28 8.09 2b82B1 THR 125 HA -0.05 0.04 0.37 -0.75 4.39 3.99 2b82B1 THR 125 HB -0.02 0.05 0.16 -0.04 4.32 4.46 2b82B1 THR 125 HG23 -0.03 -0.01 -0.14 -0.04 1.22 1.00 2b82B1 LEU 126 H -0.09 0.52 -0.24 -0.55 8.37 8.01 2b82B1 LEU 126 HA 0.01 0.02 0.37 -0.75 4.35 4.00 2b82B1 LEU 126 HB2 -0.31 0.10 0.10 -0.04 1.64 1.48 2b82B1 LEU 126 HB3 -0.44 0.01 -0.06 -0.04 1.64 1.11 2b82B1 LEU 126 HG -0.21 0.11 -0.00 -0.04 1.64 1.49 2b82B1 LEU 126 HD13 -1.11 -0.03 -0.10 -0.04 0.93 -0.35 2b82B1 LEU 126 HD23 -0.09 -0.02 -0.11 -0.04 0.89 0.63 2b82B1 ALA 127 H -0.04 0.56 -0.04 -0.55 8.40 8.34 2b82B1 ALA 127 HA 0.05 0.01 0.37 -0.75 4.34 4.01 2b82B1 ALA 127 HB3 0.02 0.03 0.07 -0.04 1.41 1.49 2b82B1 ASP 128 H -0.04 0.61 -0.20 -0.55 8.40 8.22 2b82B1 ASP 128 HA -0.02 0.04 0.42 -0.75 4.63 4.32 2b82B1 ASP 128 HB2 -0.07 0.06 0.13 -0.04 2.71 2.80 2b82B1 ASP 128 HB3 -0.05 -0.03 -0.02 -0.04 2.70 2.55 2b82B1 ASN 129 H -0.18 0.58 0.00 -0.55 8.53 8.39 2b82B1 ASN 129 HA -0.34 0.04 0.36 -0.75 4.76 4.06 2b82B1 ASN 129 HB2 -0.44 0.11 0.17 -0.04 2.88 2.68 2b82B1 ASN 129 HB3 -0.69 -0.07 0.03 -0.04 2.79 2.02 2b82B1 ASN 129 HD21 -0.11 -0.06 0.04 -0.04 7.03 6.86 2b82B1 ASN 129 HD22 -0.14 0.36 0.18 -0.04 7.74 8.10 2b82B1 PHE 130 H -0.17 0.50 -0.25 -0.55 8.34 7.86 2b82B1 PHE 130 HA -0.27 0.12 0.71 -0.75 4.62 4.43 2b82B1 PHE 130 HB2 -0.09 0.15 0.01 -0.04 3.15 3.18 2b82B1 PHE 130 HB3 -0.07 -0.03 0.05 -0.04 3.06 2.96 2b82B1 PHE 130 HD2 -0.12 0.06 -0.02 -0.04 7.28 7.16 2b82B1 PHE 130 HE2 -0.08 -0.05 -0.09 -0.04 7.38 7.12 2b82B1 PHE 130 HZ -0.03 0.13 0.11 -0.04 7.32 7.49 2b82B1 HIS 131 H -0.30 0.27 -0.49 -0.55 8.41 7.34 2b82B1 HIS 131 HA 0.02 0.06 0.30 -0.75 4.63 4.26 2b82B1 HIS 131 HB2 0.04 0.06 0.09 -0.04 3.26 3.42 2b82B1 HIS 131 HB3 0.02 -0.08 0.10 -0.04 3.20 3.20 2b82B1 HIS 131 HD2 -0.01 0.00 0.03 -0.04 6.97 6.94 2b82B1 HIS 131 HE1 -0.01 -0.09 -0.00 -0.04 7.75 7.60 2b82B1 ILE 132 H 0.07 0.39 -0.02 -0.55 8.25 8.14 2b82B1 ILE 132 HA 0.08 0.18 0.56 -0.75 4.18 4.25 2b82B1 ILE 132 HB 0.08 -0.12 0.04 -0.04 1.89 1.85 2b82B1 ILE 132 HG12 0.10 0.10 -0.22 -0.04 1.49 1.42 2b82B1 ILE 132 HG13 0.14 -0.03 -0.21 -0.04 1.21 1.06 2b82B1 ILE 132 HG23 0.06 0.04 -0.17 -0.04 0.93 0.82 2b82B1 ILE 132 HD13 0.18 -0.04 -0.20 -0.04 0.88 0.79 2b82B1 PRO 133 HA 0.04 0.06 0.48 -0.51 4.44 4.51 2b82B1 PRO 133 HB2 0.03 -0.12 0.02 -0.04 2.28 2.17 2b82B1 PRO 133 HB3 0.03 0.01 0.12 -0.04 2.02 2.14 2b82B1 PRO 133 HG2 0.04 0.07 0.10 -0.04 2.03 2.20 2b82B1 PRO 133 HG3 0.04 0.08 0.09 -0.04 2.03 2.20 2b82B1 PRO 133 HD2 0.05 0.05 0.20 -0.04 3.68 3.94 2b82B1 PRO 133 HD3 0.07 0.39 0.35 -0.04 3.65 4.42 2b82B1 ALA 134 H 0.02 0.12 0.16 -0.55 8.40 8.16 2b82B1 ALA 134 HA 0.01 0.09 0.32 -0.75 4.34 4.01 2b82B1 ALA 134 HB3 0.01 0.00 0.10 -0.04 1.41 1.48 2b82B1 THR 135 H 0.01 0.00 -0.19 -0.55 8.28 7.55 2b82B1 THR 135 HA 0.00 0.10 0.32 -0.75 4.39 4.06 2b82B1 THR 135 HB 0.01 -0.08 0.07 -0.04 4.32 4.28 2b82B1 THR 135 HG23 0.02 0.01 -0.07 -0.04 1.22 1.13 2b82B1 ASN 136 H 0.01 0.06 -0.29 -0.55 8.53 7.76 2b82B1 ASN 136 HA -0.02 0.16 0.60 -0.75 4.76 4.75 2b82B1 ASN 136 HB2 0.02 -0.01 0.00 -0.04 2.88 2.85 2b82B1 ASN 136 HB3 0.01 0.03 0.07 -0.04 2.79 2.86 2b82B1 ASN 136 HD21 0.04 -0.05 -0.01 -0.04 7.03 6.96 2b82B1 ASN 136 HD22 0.04 0.58 -0.06 -0.04 7.74 8.26 2b82B1 MET 137 H -0.01 0.26 -0.28 -0.55 8.47 7.89 2b82B1 MET 137 HA -0.01 0.02 0.43 -0.75 4.52 4.20 2b82B1 MET 137 HB2 0.03 0.04 -0.10 -0.04 2.15 2.08 2b82B1 MET 137 HB3 0.01 0.03 -0.00 -0.04 2.03 2.02 2b82B1 MET 137 HG2 0.03 -0.09 -0.11 -0.04 2.63 2.43 2b82B1 MET 137 HG3 0.03 -0.02 -0.29 -0.04 2.56 2.23 2b82B1 MET 137 HE3 0.05 -0.02 -0.01 -0.04 2.10 2.08 2b82B1 ASN 138 H -0.06 0.22 0.25 -0.55 8.53 8.40 2b82B1 ASN 138 HA -0.10 0.16 0.69 -0.75 4.76 4.77 2b82B1 ASN 138 HB2 -0.64 0.03 0.14 -0.04 2.88 2.37 2b82B1 ASN 138 HB3 -0.25 -0.02 0.04 -0.04 2.79 2.52 2b82B1 ASN 138 HD21 -0.47 -0.03 -0.21 -0.04 7.03 6.28 2b82B1 ASN 138 HD22 -0.65 0.38 -0.17 -0.04 7.74 7.26 2b82B1 PRO 139 HA 0.05 -0.10 0.43 -0.51 4.44 4.31 2b82B1 PRO 139 HB2 0.05 0.07 0.01 -0.04 2.28 2.38 2b82B1 PRO 139 HB3 0.05 -0.04 0.09 -0.04 2.02 2.09 2b82B1 PRO 139 HG2 0.04 0.05 0.07 -0.04 2.03 2.15 2b82B1 PRO 139 HG3 0.03 0.02 0.05 -0.04 2.03 2.09 2b82B1 PRO 139 HD2 0.04 0.12 0.17 -0.04 3.68 3.97 2b82B1 PRO 139 HD3 -0.00 0.21 0.17 -0.04 3.65 3.99 2b82B1 VAL 140 H 0.05 -0.07 0.18 -0.55 8.24 7.86 2b82B1 VAL 140 HA 0.04 0.10 0.48 -0.75 4.13 3.99 2b82B1 VAL 140 HB -0.05 -0.10 0.06 -0.04 2.12 1.99 2b82B1 VAL 140 HG13 -0.82 -0.02 -0.29 -0.04 0.97 -0.20 2b82B1 VAL 140 HG23 -0.11 -0.02 -0.03 -0.04 0.95 0.74 2b82B1 ILE 141 H -0.13 0.71 0.38 -0.55 8.25 8.65 2b82B1 ILE 141 HA -0.32 0.15 0.82 -0.75 4.18 4.08 2b82B1 ILE 141 HB -0.35 -0.02 0.30 -0.04 1.89 1.78 2b82B1 ILE 141 HG12 -0.46 0.02 -0.02 -0.04 1.49 0.99 2b82B1 ILE 141 HG13 -0.08 0.14 -0.03 -0.04 1.21 1.21 2b82B1 ILE 141 HG23 -1.61 -0.02 -0.15 -0.04 0.93 -0.88 2b82B1 ILE 141 HD13 -0.04 -0.01 -0.06 -0.04 0.88 0.73 2b82B1 PHE 142 H 0.02 0.27 0.02 -0.55 8.34 8.10 2b82B1 PHE 142 HA -0.17 0.02 0.73 -0.75 4.62 4.45 2b82B1 PHE 142 HB2 -0.16 0.01 0.13 -0.04 3.15 3.09 2b82B1 PHE 142 HB3 -0.20 0.11 -0.27 -0.04 3.06 2.67 2b82B1 PHE 142 HD2 -0.15 0.11 -0.24 -0.04 7.28 6.97 2b82B1 PHE 142 HE2 -0.04 -0.02 -0.07 -0.04 7.38 7.20 2b82B1 PHE 142 HZ -0.04 -0.17 -0.01 -0.04 7.32 7.06 2b82B1 ALA 143 H -0.16 0.56 0.21 -0.55 8.40 8.46 2b82B1 ALA 143 HA 0.06 0.08 0.42 -0.75 4.34 4.15 2b82B1 ALA 143 HB3 0.00 -0.01 -0.13 -0.04 1.41 1.23 2b82B1 GLY 144 H -0.06 0.25 -0.28 -0.55 8.43 7.79 2b82B1 GLY 144 HA2 -0.17 0.05 -0.08 -0.51 4.01 3.30 2b82B1 GLY 144 HA3 -0.05 0.07 0.37 -0.51 4.01 3.90 2b82B1 ASP 145 H -0.04 0.24 0.12 -0.55 8.40 8.18 2b82B1 ASP 145 HA 0.03 0.03 0.81 -0.75 4.63 4.75 2b82B1 ASP 145 HB2 0.05 0.01 -0.08 -0.04 2.71 2.64 2b82B1 ASP 145 HB3 0.05 0.04 0.11 -0.04 2.70 2.85 2b82B1 LYS 146 H 0.04 0.20 0.04 -0.55 8.42 8.14 2b82B1 LYS 146 HA 0.03 0.21 0.81 -0.75 4.32 4.62 2b82B1 LYS 146 HB2 0.02 -0.06 0.06 -0.04 1.87 1.85 2b82B1 LYS 146 HB3 0.02 0.08 0.01 -0.04 1.79 1.86 2b82B1 LYS 146 HG2 0.02 0.08 -0.02 -0.04 1.46 1.50 2b82B1 LYS 146 HG3 0.02 -0.09 -0.48 -0.04 1.46 0.87 2b82B1 LYS 146 HD2 0.02 -0.03 -0.08 -0.04 1.69 1.56 2b82B1 LYS 146 HD3 0.01 0.01 -0.04 -0.04 1.68 1.62 2b82B1 LYS 146 HE2 0.02 0.02 -0.07 -0.04 2.99 2.91 2b82B1 LYS 146 HE3 0.02 0.00 -0.04 -0.04 2.99 2.93 2b82B1 PRO 147 HA 0.04 -0.05 0.50 -0.51 4.44 4.42 2b82B1 PRO 147 HB2 0.03 0.05 0.06 -0.04 2.28 2.38 2b82B1 PRO 147 HB3 0.04 0.02 0.08 -0.04 2.02 2.12 2b82B1 PRO 147 HG2 0.04 0.06 0.06 -0.04 2.03 2.15 2b82B1 PRO 147 HG3 0.05 0.02 0.05 -0.04 2.03 2.11 2b82B1 PRO 147 HD2 0.03 0.15 0.18 -0.04 3.68 4.01 2b82B1 PRO 147 HD3 0.04 0.13 -0.06 -0.04 3.65 3.72 2b82B1 GLY 148 H 0.03 0.08 0.17 -0.55 8.43 8.16 2b82B1 GLY 148 HA2 0.02 -0.02 0.34 -0.51 4.01 3.84 2b82B1 GLY 148 HA3 0.02 0.17 0.65 -0.51 4.01 4.34 2b82B1 GLN 149 H 0.02 0.50 -0.06 -0.55 8.47 8.38 2b82B1 GLN 149 HA 0.00 0.14 0.84 -0.75 4.36 4.58 2b82B1 GLN 149 HB2 0.00 0.05 -0.21 -0.04 2.15 1.95 2b82B1 GLN 149 HB3 0.01 0.06 -0.03 -0.04 2.02 2.02 2b82B1 GLN 149 HG2 0.00 -0.09 -0.48 -0.04 2.40 1.79 2b82B1 GLN 149 HG3 -0.01 0.01 -0.05 -0.04 2.39 2.30 2b82B1 GLN 149 HE21 -0.02 0.01 -0.06 -0.04 6.97 6.86 2b82B1 GLN 149 HE22 -0.02 0.01 -0.06 -0.04 7.69 7.59 2b82B1 ASN 150 H -0.01 0.24 0.07 -0.55 8.53 8.29 2b82B1 ASN 150 HA 0.02 0.11 0.90 -0.75 4.76 5.03 2b82B1 ASN 150 HB2 -0.01 0.06 0.06 -0.04 2.88 2.95 2b82B1 ASN 150 HB3 -0.03 0.04 0.20 -0.04 2.79 2.97 2b82B1 ASN 150 HD21 -0.03 0.37 0.10 -0.04 7.03 7.44 2b82B1 ASN 150 HD22 -0.04 0.04 -0.07 -0.04 7.74 7.63 2b82B1 THR 151 H 0.04 0.26 0.02 -0.55 8.28 8.05 2b82B1 THR 151 HA 0.04 0.11 0.25 -0.75 4.39 4.03 2b82B1 THR 151 HB 0.14 0.18 0.03 -0.04 4.32 4.63 2b82B1 THR 151 HG23 0.04 -0.00 -0.15 -0.04 1.22 1.07 2b82B1 LYS 152 H 0.03 -0.01 -0.43 -0.55 8.42 7.46 2b82B1 LYS 152 HA 0.19 0.19 0.48 -0.75 4.32 4.42 2b82B1 LYS 152 HB2 -0.06 0.00 -0.07 -0.04 1.87 1.70 2b82B1 LYS 152 HB3 -0.19 0.04 -0.10 -0.04 1.79 1.50 2b82B1 LYS 152 HG2 0.03 0.07 -0.27 -0.04 1.46 1.25 2b82B1 LYS 152 HG3 0.05 -0.05 -0.15 -0.04 1.46 1.27 2b82B1 LYS 152 HD2 0.14 -0.04 -0.15 -0.04 1.69 1.60 2b82B1 LYS 152 HD3 0.14 0.12 -0.15 -0.04 1.68 1.74 2b82B1 LYS 152 HE2 0.09 -0.03 -0.44 -0.04 2.99 2.57 2b82B1 LYS 152 HE3 0.11 -0.02 -0.12 -0.04 2.99 2.92 2b82B1 SER 153 H -0.04 0.21 -0.20 -0.55 8.46 7.89 2b82B1 SER 153 HA -0.13 0.10 0.22 -0.75 4.49 3.92 2b82B1 SER 153 HB2 -0.07 0.05 0.09 -0.04 3.95 3.97 2b82B1 SER 153 HB3 -0.09 0.11 0.01 -0.04 3.93 3.92 2b82B1 GLN 154 H -0.11 0.17 -0.24 -0.55 8.47 7.75 2b82B1 GLN 154 HA -0.17 0.10 0.34 -0.75 4.36 3.87 2b82B1 GLN 154 HB2 -0.20 -0.00 0.05 -0.04 2.15 1.96 2b82B1 GLN 154 HB3 -0.42 0.06 -0.02 -0.04 2.02 1.60 2b82B1 GLN 154 HG2 -0.29 0.02 -0.02 -0.04 2.40 2.06 2b82B1 GLN 154 HG3 -0.39 0.00 -0.06 -0.04 2.39 1.90 2b82B1 GLN 154 HE21 -0.12 0.04 -0.02 -0.04 6.97 6.83 2b82B1 GLN 154 HE22 -0.14 -0.02 -0.01 -0.04 7.69 7.48 2b82B1 TRP 155 H -0.01 0.20 -0.36 -0.55 7.97 7.26 2b82B1 TRP 155 HA -0.12 0.07 0.47 -0.75 4.62 4.29 2b82B1 TRP 155 HB2 -0.15 0.10 0.08 -0.04 3.23 3.23 2b82B1 TRP 155 HB3 -0.13 -0.01 -0.05 -0.04 3.23 3.00 2b82B1 TRP 155 HD1 -0.07 0.21 0.10 -0.04 7.22 7.42 2b82B1 TRP 155 HE1 -0.03 0.06 -0.01 -0.04 10.20 10.18 2b82B1 TRP 155 HE3 -0.07 0.00 -0.01 -0.04 7.59 7.47 2b82B1 TRP 155 HZ2 -0.00 0.03 -0.05 -0.04 7.44 7.38 2b82B1 TRP 155 HZ3 -0.00 0.03 -0.04 -0.04 7.13 7.08 2b82B1 TRP 155 HH2 0.01 0.00 -0.03 -0.04 7.19 7.13 2b82B1 LEU 156 H -0.06 0.42 -0.17 -0.55 8.37 8.01 2b82B1 LEU 156 HA -0.17 -0.00 0.35 -0.75 4.35 3.78 2b82B1 LEU 156 HB2 -0.17 0.15 -0.00 -0.04 1.64 1.57 2b82B1 LEU 156 HB3 -0.19 0.08 -0.11 -0.04 1.64 1.37 2b82B1 LEU 156 HG -0.35 0.10 -0.19 -0.04 1.64 1.15 2b82B1 LEU 156 HD13 -0.46 0.02 -0.39 -0.04 0.93 0.06 2b82B1 LEU 156 HD23 -0.70 -0.03 -0.20 -0.04 0.89 -0.08 2b82B1 GLN 157 H -0.12 0.41 -0.18 -0.55 8.47 8.03 2b82B1 GLN 157 HA -0.10 0.11 0.47 -0.75 4.36 4.09 2b82B1 GLN 157 HB2 -0.10 0.01 0.07 -0.04 2.15 2.09 2b82B1 GLN 157 HB3 -0.13 0.05 0.14 -0.04 2.02 2.03 2b82B1 GLN 157 HG2 -0.09 0.00 -0.21 -0.04 2.40 2.06 2b82B1 GLN 157 HG3 -0.08 0.03 0.03 -0.04 2.39 2.33 2b82B1 GLN 157 HE21 -0.09 -0.04 -0.02 -0.04 6.97 6.77 2b82B1 GLN 157 HE22 -0.12 0.01 -0.01 -0.04 7.69 7.53 2b82B1 ASP 158 H -0.13 0.52 -0.10 -0.55 8.40 8.14 2b82B1 ASP 158 HA -0.10 0.01 0.30 -0.75 4.63 4.09 2b82B1 ASP 158 HB2 -0.23 0.01 0.11 -0.04 2.71 2.55 2b82B1 ASP 158 HB3 -0.06 0.03 0.12 -0.04 2.70 2.74 2b82B1 LYS 159 H -0.12 0.40 -0.34 -0.55 8.42 7.80 2b82B1 LYS 159 HA -0.15 0.14 0.67 -0.75 4.32 4.22 2b82B1 LYS 159 HB2 -0.50 0.00 -0.02 -0.04 1.87 1.31 2b82B1 LYS 159 HB3 -1.14 -0.02 0.06 -0.04 1.79 0.64 2b82B1 LYS 159 HG2 -0.00 0.05 -0.04 -0.04 1.46 1.44 2b82B1 LYS 159 HG3 -0.44 -0.08 -0.06 -0.04 1.46 0.84 2b82B1 LYS 159 HD2 -0.08 0.01 -0.04 -0.04 1.69 1.54 2b82B1 LYS 159 HD3 -0.01 0.09 -0.22 -0.04 1.68 1.50 2b82B1 LYS 159 HE2 0.38 -0.04 -0.08 -0.04 2.99 3.21 2b82B1 LYS 159 HE3 0.22 -0.02 -0.06 -0.04 2.99 3.09 2b82B1 ASN 160 H -0.11 0.38 -0.47 -0.55 8.53 7.78 2b82B1 ASN 160 HA -0.08 0.08 0.28 -0.75 4.76 4.29 2b82B1 ASN 160 HB2 -0.03 0.09 0.03 -0.04 2.88 2.92 2b82B1 ASN 160 HB3 -0.03 -0.05 0.17 -0.04 2.79 2.83 2b82B1 ASN 160 HD21 -0.04 -0.06 -0.00 -0.04 7.03 6.88 2b82B1 ASN 160 HD22 -0.05 0.02 0.05 -0.04 7.74 7.72 2b82B1 ILE 161 H -0.14 0.40 -0.17 -0.55 8.25 7.79 2b82B1 ILE 161 HA -0.07 0.13 0.27 -0.75 4.18 3.76 2b82B1 ILE 161 HB -0.15 -0.04 0.00 -0.04 1.89 1.66 2b82B1 ILE 161 HG12 -0.07 0.02 -0.42 -0.04 1.49 0.98 2b82B1 ILE 161 HG13 -0.35 0.11 -0.32 -0.04 1.21 0.61 2b82B1 ILE 161 HG23 -0.02 -0.07 -0.32 -0.04 0.93 0.48 2b82B1 ILE 161 HD13 -0.25 -0.04 -0.21 -0.04 0.88 0.34 2b82B1 ARG 162 H -0.05 0.65 0.38 -0.55 8.46 8.89 2b82B1 ARG 162 HA -0.06 0.16 0.63 -0.75 4.34 4.32 2b82B1 ARG 162 HB2 -0.03 0.02 0.11 -0.04 1.90 1.96 2b82B1 ARG 162 HB3 -0.03 -0.05 0.10 -0.04 1.80 1.77 2b82B1 ARG 162 HG2 -0.02 0.19 0.18 -0.04 1.67 1.98 2b82B1 ARG 162 HG3 -0.01 -0.04 0.07 -0.04 1.67 1.66 2b82B1 ARG 162 HD2 -0.04 0.04 -0.29 -0.04 3.22 2.90 2b82B1 ARG 162 HD3 -0.02 -0.02 -0.01 -0.04 3.22 3.13 2b82B1 ILE 163 H -0.10 0.20 0.21 -0.55 8.25 8.02 2b82B1 ILE 163 HA -0.18 0.27 0.85 -0.75 4.18 4.37 2b82B1 ILE 163 HB -0.25 -0.06 0.12 -0.04 1.89 1.65 2b82B1 ILE 163 HG12 -0.11 0.05 -0.00 -0.04 1.49 1.39 2b82B1 ILE 163 HG13 -0.07 -0.04 -0.41 -0.04 1.21 0.65 2b82B1 ILE 163 HG23 -0.66 -0.00 -0.12 -0.04 0.93 0.11 2b82B1 ILE 163 HD13 0.06 0.00 -0.08 -0.04 0.88 0.82 2b82B1 PHE 164 H -0.18 0.64 0.17 -0.55 8.34 8.41 2b82B1 PHE 164 HA -0.33 0.29 0.94 -0.75 4.62 4.77 2b82B1 PHE 164 HB2 -0.16 0.04 -0.24 -0.04 3.15 2.75 2b82B1 PHE 164 HB3 -0.16 -0.04 -0.03 -0.04 3.06 2.78 2b82B1 PHE 164 HD2 -0.10 0.08 -0.17 -0.04 7.28 7.06 2b82B1 PHE 164 HE2 -0.00 -0.11 -0.21 -0.04 7.38 7.01 2b82B1 PHE 164 HZ 0.02 0.13 -0.08 -0.04 7.32 7.36 2b82B1 TYR 165 H -0.69 0.65 0.33 -0.55 8.29 8.03 2b82B1 TYR 165 HA -0.28 0.35 0.92 -0.75 4.56 4.80 2b82B1 TYR 165 HB2 -0.62 -0.04 0.22 -0.04 3.06 2.59 2b82B1 TYR 165 HB3 -0.20 -0.03 -0.02 -0.04 2.98 2.69 2b82B1 TYR 165 HD2 -0.89 0.08 -0.08 -0.04 7.15 6.23 2b82B1 TYR 165 HE2 -0.31 0.01 -0.12 -0.04 6.85 6.39 2b82B1 GLY 166 H -0.06 0.66 0.35 -0.55 8.43 8.83 2b82B1 GLY 166 HA2 -0.07 0.03 0.56 -0.51 4.01 4.03 2b82B1 GLY 166 HA3 -0.11 -0.04 0.28 -0.51 4.01 3.63 2b82B1 ASP 167 H 0.05 0.07 0.13 -0.55 8.40 8.10 2b82B1 ASP 167 HA 0.04 0.37 0.88 -0.75 4.63 5.16 2b82B1 ASP 167 HB2 0.05 -0.01 0.08 -0.04 2.71 2.79 2b82B1 ASP 167 HB3 0.07 0.18 -0.14 -0.04 2.70 2.77 2b82B1 SER 168 H 0.07 -0.04 0.04 -0.55 8.46 7.98 2b82B1 SER 168 HA 0.02 0.29 0.69 -0.75 4.49 4.74 2b82B1 SER 168 HB2 0.11 -0.11 0.05 -0.04 3.95 3.96 2b82B1 SER 168 HB3 0.09 -0.02 0.08 -0.04 3.93 4.04 2b82B1 ASP 169 H 0.08 0.25 0.15 -0.55 8.40 8.33 2b82B1 ASP 169 HA 0.27 0.11 0.36 -0.75 4.63 4.62 2b82B1 ASP 169 HB2 0.15 -0.01 0.11 -0.04 2.71 2.93 2b82B1 ASP 169 HB3 0.39 0.07 0.01 -0.04 2.70 3.12 2b82B1 ASN 170 H 0.09 0.11 -0.19 -0.55 8.53 7.99 2b82B1 ASN 170 HA -0.01 0.12 0.35 -0.75 4.76 4.47 2b82B1 ASN 170 HB2 0.09 -0.02 0.01 -0.04 2.88 2.91 2b82B1 ASN 170 HB3 0.05 0.00 -0.01 -0.04 2.79 2.79 2b82B1 ASN 170 HD21 0.07 0.06 -0.03 -0.04 7.03 7.09 2b82B1 ASN 170 HD22 0.08 -0.00 -0.01 -0.04 7.74 7.77 2b82B1 ASP 171 H 0.10 0.17 -0.46 -0.55 8.40 7.67 2b82B1 ASP 171 HA 0.28 0.09 0.49 -0.75 4.63 4.74 2b82B1 ASP 171 HB2 0.09 0.19 -0.06 -0.04 2.71 2.89 2b82B1 ASP 171 HB3 0.16 0.10 -0.19 -0.04 2.70 2.73 2b82B1 ILE 172 H 0.03 0.32 -0.20 -0.55 8.25 7.85 2b82B1 ILE 172 HA -0.01 0.09 0.34 -0.75 4.18 3.84 2b82B1 ILE 172 HB -0.14 0.08 0.09 -0.04 1.89 1.88 2b82B1 ILE 172 HG12 0.06 0.08 -0.13 -0.04 1.49 1.46 2b82B1 ILE 172 HG13 0.11 -0.07 -0.12 -0.04 1.21 1.09 2b82B1 ILE 172 HG23 -0.06 -0.00 -0.11 -0.04 0.93 0.71 2b82B1 ILE 172 HD13 -0.00 0.03 -0.40 -0.04 0.88 0.47 2b82B1 THR 173 H -0.22 0.50 -0.06 -0.55 8.28 7.95 2b82B1 THR 173 HA -0.30 0.11 0.44 -0.75 4.39 3.88 2b82B1 THR 173 HB -0.21 0.03 0.02 -0.04 4.32 4.13 2b82B1 THR 173 HG23 -0.74 0.04 -0.03 -0.04 1.22 0.45 2b82B1 ALA 174 H -0.07 0.40 -0.38 -0.55 8.40 7.80 2b82B1 ALA 174 HA -0.10 -0.01 0.48 -0.75 4.34 3.96 2b82B1 ALA 174 HB3 -0.13 0.02 -0.04 -0.04 1.41 1.22 2b82B1 ALA 175 H -0.05 0.37 -0.32 -0.55 8.40 7.86 2b82B1 ALA 175 HA -0.10 0.04 0.28 -0.75 4.34 3.81 2b82B1 ALA 175 HB3 -0.01 0.04 -0.16 -0.04 1.41 1.24 2b82B1 ARG 176 H -0.11 0.43 -0.09 -0.55 8.46 8.14 2b82B1 ARG 176 HA -0.07 0.11 0.42 -0.75 4.34 4.04 2b82B1 ARG 176 HB2 -0.14 0.01 0.11 -0.04 1.90 1.84 2b82B1 ARG 176 HB3 -0.15 0.01 0.12 -0.04 1.80 1.75 2b82B1 ARG 176 HG2 -0.07 0.01 -0.12 -0.04 1.67 1.44 2b82B1 ARG 176 HG3 -0.06 0.03 0.06 -0.04 1.67 1.65 2b82B1 ARG 176 HD2 -0.03 0.01 -0.01 -0.04 3.22 3.15 2b82B1 ARG 176 HD3 -0.09 -0.00 -0.00 -0.04 3.22 3.09 2b82B1 ASP 177 H -0.10 0.52 -0.30 -0.55 8.40 7.97 2b82B1 ASP 177 HA -0.07 -0.02 0.34 -0.75 4.63 4.13 2b82B1 ASP 177 HB2 -0.09 0.19 0.18 -0.04 2.71 2.95 2b82B1 ASP 177 HB3 -0.07 -0.06 -0.01 -0.04 2.70 2.51 2b82B1 VAL 178 H -0.09 0.33 -0.42 -0.55 8.24 7.51 2b82B1 VAL 178 HA -0.07 0.16 0.80 -0.75 4.13 4.26 2b82B1 VAL 178 HB -0.09 0.01 0.06 -0.04 2.12 2.06 2b82B1 VAL 178 HG13 -0.10 -0.01 -0.10 -0.04 0.97 0.72 2b82B1 VAL 178 HG23 -0.11 0.02 -0.13 -0.04 0.95 0.69 2b82B1 GLY 179 H -0.06 0.30 -0.18 -0.55 8.43 7.94 2b82B1 GLY 179 HA2 -0.05 -0.01 0.31 -0.51 4.01 3.75 2b82B1 GLY 179 HA3 -0.05 0.04 0.52 -0.51 4.01 4.02 2b82B1 ALA 180 H -0.07 0.26 -0.15 -0.55 8.40 7.90 2b82B1 ALA 180 HA -0.06 0.22 0.65 -0.75 4.34 4.40 2b82B1 ALA 180 HB3 -0.08 -0.02 -0.22 -0.04 1.41 1.05 2b82B1 ARG 181 H -0.08 0.74 0.24 -0.55 8.46 8.81 2b82B1 ARG 181 HA -0.07 0.07 0.64 -0.75 4.34 4.23 2b82B1 ARG 181 HB2 -0.06 0.08 0.12 -0.04 1.90 2.00 2b82B1 ARG 181 HB3 -0.10 0.02 0.30 -0.04 1.80 1.98 2b82B1 ARG 181 HG2 -0.12 -0.09 -0.22 -0.04 1.67 1.19 2b82B1 ARG 181 HG3 -0.07 -0.00 -0.02 -0.04 1.67 1.54 2b82B1 ARG 181 HD2 -0.04 0.06 -0.01 -0.04 3.22 3.20 2b82B1 ARG 181 HD3 -0.06 0.01 -0.02 -0.04 3.22 3.11 2b82B1 GLY 182 H -0.07 0.23 0.13 -0.55 8.43 8.17 2b82B1 GLY 182 HA2 -0.09 0.23 0.83 -0.51 4.01 4.46 2b82B1 GLY 182 HA3 -0.05 -0.03 0.34 -0.51 4.01 3.76 2b82B1 ILE 183 H -0.21 0.68 0.31 -0.55 8.25 8.47 2b82B1 ILE 183 HA -0.07 0.23 0.95 -0.75 4.18 4.53 2b82B1 ILE 183 HB -0.27 -0.03 -0.02 -0.04 1.89 1.52 2b82B1 ILE 183 HG12 -0.11 0.01 -0.19 -0.04 1.49 1.17 2b82B1 ILE 183 HG13 -0.22 0.02 -0.55 -0.04 1.21 0.41 2b82B1 ILE 183 HG23 0.10 -0.01 -0.26 -0.04 0.93 0.72 2b82B1 ILE 183 HD13 -0.12 0.00 -0.13 -0.04 0.88 0.59 2b82B1 ARG 184 H -0.03 0.76 0.29 -0.55 8.46 8.94 2b82B1 ARG 184 HA 0.01 0.29 0.73 -0.75 4.34 4.62 2b82B1 ARG 184 HB2 -0.00 -0.07 0.02 -0.04 1.90 1.81 2b82B1 ARG 184 HB3 -0.05 0.00 0.15 -0.04 1.80 1.86 2b82B1 ARG 184 HG2 -0.03 -0.17 -0.09 -0.04 1.67 1.34 2b82B1 ARG 184 HG3 0.02 0.12 -0.30 -0.04 1.67 1.48 2b82B1 ARG 184 HD2 0.03 0.16 -0.04 -0.04 3.22 3.33 2b82B1 ARG 184 HD3 0.03 0.14 -0.04 -0.04 3.22 3.31 2b82B1 ILE 185 H 0.04 0.52 0.18 -0.55 8.25 8.44 2b82B1 ILE 185 HA 0.08 0.08 0.83 -0.75 4.18 4.42 2b82B1 ILE 185 HB 0.06 -0.15 -0.08 -0.04 1.89 1.69 2b82B1 ILE 185 HG12 0.04 0.07 -0.05 -0.04 1.49 1.51 2b82B1 ILE 185 HG13 0.05 -0.00 0.02 -0.04 1.21 1.24 2b82B1 ILE 185 HG23 0.07 0.06 -0.09 -0.04 0.93 0.92 2b82B1 ILE 185 HD13 0.10 -0.04 -0.34 -0.04 0.88 0.57 2b82B1 LEU 186 H 0.10 0.08 0.00 -0.55 8.37 8.01 2b82B1 LEU 186 HA 0.08 0.05 0.56 -0.75 4.35 4.28 2b82B1 LEU 186 HB2 0.11 -0.16 -0.15 -0.04 1.64 1.39 2b82B1 LEU 186 HB3 0.11 0.11 -0.11 -0.04 1.64 1.72 2b82B1 LEU 186 HG 0.24 0.04 -0.02 -0.04 1.64 1.86 2b82B1 LEU 186 HD13 0.25 -0.06 0.01 -0.04 0.93 1.09 2b82B1 LEU 186 HD23 0.20 0.02 -0.03 -0.04 0.89 1.04 2b82B1 ARG 187 H 0.06 0.14 0.23 -0.55 8.46 8.34 2b82B1 ARG 187 HA 0.10 0.11 0.73 -0.75 4.34 4.53 2b82B1 ARG 187 HB2 0.03 -0.01 0.18 -0.04 1.90 2.06 2b82B1 ARG 187 HB3 0.02 0.01 0.20 -0.04 1.80 1.99 2b82B1 ARG 187 HG2 0.08 0.20 -0.09 -0.04 1.67 1.82 2b82B1 ARG 187 HG3 0.09 -0.14 0.13 -0.04 1.67 1.71 2b82B1 ARG 187 HD2 -0.06 0.09 0.04 -0.04 3.22 3.25 2b82B1 ARG 187 HD3 0.02 -0.07 0.04 -0.04 3.22 3.17 2b82B1 ALA 188 H 0.18 0.09 0.25 -0.55 8.40 8.37 2b82B1 ALA 188 HA 0.10 0.05 0.45 -0.75 4.34 4.19 2b82B1 ALA 188 HB3 0.16 0.04 0.19 -0.04 1.41 1.76 2b82B1 SER 189 H 0.06 0.13 0.20 -0.55 8.46 8.31 2b82B1 SER 189 HA 0.05 0.18 0.48 -0.75 4.49 4.45 2b82B1 SER 189 HB2 0.02 0.06 0.13 -0.04 3.95 4.11 2b82B1 SER 189 HB3 0.04 0.03 0.14 -0.04 3.93 4.10 2b82B1 ASN 190 H 0.06 -0.03 -0.26 -0.55 8.53 7.76 2b82B1 ASN 190 HA 0.04 0.29 0.83 -0.75 4.76 5.17 2b82B1 ASN 190 HB2 0.02 0.02 0.12 -0.04 2.88 3.00 2b82B1 ASN 190 HB3 -0.02 0.03 0.02 -0.04 2.79 2.78 2b82B1 ASN 190 HD21 -0.30 -0.00 -0.01 -0.04 7.03 6.68 2b82B1 ASN 190 HD22 -0.12 0.04 -0.00 -0.04 7.74 7.62 2b82B1 SER 191 H 0.22 0.35 -0.37 -0.55 8.46 8.11 2b82B1 SER 191 HA 0.12 -0.09 0.57 -0.75 4.49 4.33 2b82B1 SER 191 HB2 0.21 -0.08 0.15 -0.04 3.95 4.20 2b82B1 SER 191 HB3 0.11 0.27 0.02 -0.04 3.93 4.30 2b82B1 THR 192 H -0.02 -0.02 0.14 -0.55 8.28 7.82 2b82B1 THR 192 HA 0.03 0.28 0.66 -0.75 4.39 4.60 2b82B1 THR 192 HB 0.19 0.06 0.10 -0.04 4.32 4.63 2b82B1 THR 192 HG23 -0.13 0.02 -0.01 -0.04 1.22 1.05 2b82B1 TYR 193 H 0.14 -0.05 -0.26 -0.55 8.29 7.56 2b82B1 TYR 193 HA 0.03 0.14 0.65 -0.75 4.56 4.62 2b82B1 TYR 193 HB2 -0.11 -0.11 0.02 -0.04 3.06 2.82 2b82B1 TYR 193 HB3 -0.03 -0.03 0.10 -0.04 2.98 2.98 2b82B1 TYR 193 HD2 -0.01 0.03 -0.06 -0.04 7.15 7.06 2b82B1 TYR 193 HE2 0.03 -0.02 -0.06 -0.04 6.85 6.76 2b82B1 LYS 194 H 0.24 0.29 0.12 -0.55 8.42 8.53 2b82B1 LYS 194 HA 0.01 0.09 0.54 -0.75 4.32 4.20 2b82B1 LYS 194 HB2 0.09 0.03 -0.05 -0.04 1.87 1.90 2b82B1 LYS 194 HB3 0.05 -0.02 -0.03 -0.04 1.79 1.75 2b82B1 LYS 194 HG2 0.07 -0.07 -0.72 -0.04 1.46 0.70 2b82B1 LYS 194 HG3 0.05 0.03 -0.14 -0.04 1.46 1.35 2b82B1 LYS 194 HD2 0.03 -0.05 -0.02 -0.04 1.69 1.60 2b82B1 LYS 194 HD3 0.02 -0.06 -0.13 -0.04 1.68 1.48 2b82B1 LYS 194 HE2 0.03 -0.10 0.00 -0.04 2.99 2.89 2b82B1 LYS 194 HE3 0.05 0.02 -0.21 -0.04 2.99 2.81 2b82B1 PRO 195 HA 0.01 0.04 0.34 -0.51 4.44 4.32 2b82B1 PRO 195 HB2 -0.01 0.16 -0.01 -0.04 2.28 2.38 2b82B1 PRO 195 HB3 0.01 0.03 0.09 -0.04 2.02 2.11 2b82B1 PRO 195 HG2 -0.01 -0.01 -0.04 -0.04 2.03 1.93 2b82B1 PRO 195 HG3 0.01 0.03 0.05 -0.04 2.03 2.08 2b82B1 PRO 195 HD2 0.04 0.06 0.29 -0.04 3.68 4.03 2b82B1 PRO 195 HD3 0.04 0.09 0.20 -0.04 3.65 3.94 2b82B1 LEU 196 H -0.01 0.09 0.13 -0.55 8.37 8.04 2b82B1 LEU 196 HA -0.07 0.12 0.60 -0.75 4.35 4.25 2b82B1 LEU 196 HB2 0.00 -0.04 0.10 -0.04 1.64 1.66 2b82B1 LEU 196 HB3 0.00 0.06 0.10 -0.04 1.64 1.77 2b82B1 LEU 196 HG 0.01 -0.06 0.09 -0.04 1.64 1.65 2b82B1 LEU 196 HD13 0.03 -0.01 0.03 -0.04 0.93 0.94 2b82B1 LEU 196 HD23 0.02 0.05 -0.06 -0.04 0.89 0.86 2b82B1 PRO 197 HA -0.04 0.08 0.53 -0.51 4.44 4.51 2b82B1 PRO 197 HB2 -0.01 0.03 -0.07 -0.04 2.28 2.19 2b82B1 PRO 197 HB3 -0.01 -0.14 0.11 -0.04 2.02 1.94 2b82B1 PRO 197 HG2 -0.05 0.23 0.12 -0.04 2.03 2.28 2b82B1 PRO 197 HG3 -0.14 -0.01 0.10 -0.04 2.03 1.93 2b82B1 PRO 197 HD2 -0.04 0.04 0.27 -0.04 3.68 3.91 2b82B1 PRO 197 HD3 -0.14 0.20 0.28 -0.04 3.65 3.96 2b82B1 GLN 198 H -0.04 0.12 0.08 -0.55 8.47 8.08 2b82B1 GLN 198 HA -0.03 0.19 0.75 -0.75 4.36 4.52 2b82B1 GLN 198 HB2 -0.10 -0.07 0.18 -0.04 2.15 2.13 2b82B1 GLN 198 HB3 -0.08 0.06 0.02 -0.04 2.02 1.98 2b82B1 GLN 198 HG2 -0.04 0.00 -0.01 -0.04 2.40 2.31 2b82B1 GLN 198 HG3 -0.05 0.02 0.02 -0.04 2.39 2.33 2b82B1 GLN 198 HE21 -0.01 0.01 -0.02 -0.04 6.97 6.91 2b82B1 GLN 198 HE22 -0.04 -0.01 -0.03 -0.04 7.69 7.57 2b82B1 ALA 199 H -0.02 0.35 -0.05 -0.55 8.40 8.14 2b82B1 ALA 199 HA -0.04 -0.04 0.40 -0.75 4.34 3.91 2b82B1 ALA 199 HB3 -0.05 0.03 -0.01 -0.04 1.41 1.34 2b82B1 GLY 200 H -0.06 0.07 0.13 -0.55 8.43 8.02 2b82B1 GLY 200 HA2 -0.12 0.12 0.29 -0.51 4.01 3.79 2b82B1 GLY 200 HA3 -0.20 0.22 0.65 -0.51 4.01 4.17 2b82B1 ALA 201 H -0.15 0.35 -0.01 -0.55 8.40 8.04 2b82B1 ALA 201 HA -0.20 0.16 0.32 -0.75 4.34 3.87 2b82B1 ALA 201 HB3 -0.39 -0.00 0.11 -0.04 1.41 1.08 2b82B1 PHE 202 H -0.02 -0.06 -0.33 -0.55 8.34 7.37 2b82B1 PHE 202 HA -0.02 0.27 0.84 -0.75 4.62 4.95 2b82B1 PHE 202 HB2 -0.03 -0.07 -0.01 -0.04 3.15 3.00 2b82B1 PHE 202 HB3 -0.02 0.09 0.12 -0.04 3.06 3.20 2b82B1 PHE 202 HD2 -0.02 0.01 -0.02 -0.04 7.28 7.21 2b82B1 PHE 202 HE2 -0.01 -0.05 -0.01 -0.04 7.38 7.27 2b82B1 PHE 202 HZ -0.00 -0.05 -0.05 -0.04 7.32 7.18 2b82B1 GLY 203 H -0.03 0.47 -0.20 -0.55 8.43 8.13 2b82B1 GLY 203 HA2 -0.01 0.09 0.33 -0.51 4.01 3.92 2b82B1 GLY 203 HA3 0.02 0.10 0.51 -0.51 4.01 4.14 2b82B1 GLU 204 H 0.05 -0.21 -0.34 -0.55 8.60 7.55 2b82B1 GLU 204 HA 0.00 0.17 0.50 -0.75 4.29 4.20 2b82B1 GLU 204 HB2 -0.02 0.33 0.15 -0.04 2.09 2.51 2b82B1 GLU 204 HB3 0.06 -0.05 -0.02 -0.04 1.99 1.94 2b82B1 GLU 204 HG2 -0.04 0.15 -0.38 -0.04 2.34 2.03 2b82B1 GLU 204 HG3 0.02 -0.01 -0.12 -0.04 2.34 2.19 2b82B1 GLU 205 H -0.10 0.17 0.20 -0.55 8.60 8.33 2b82B1 GLU 205 HA -0.27 0.30 0.66 -0.75 4.29 4.23 2b82B1 GLU 205 HB2 -0.14 -0.04 0.11 -0.04 2.09 1.98 2b82B1 GLU 205 HB3 -0.20 -0.03 -0.06 -0.04 1.99 1.67 2b82B1 GLU 205 HG2 -0.83 0.03 -0.02 -0.04 2.34 1.48 2b82B1 GLU 205 HG3 -0.29 0.00 0.08 -0.04 2.34 2.09 2b82B1 VAL 206 H -0.19 0.70 0.31 -0.55 8.24 8.51 2b82B1 VAL 206 HA -0.06 0.15 0.90 -0.75 4.13 4.36 2b82B1 VAL 206 HB -0.88 -0.02 -0.08 -0.04 2.12 1.10 2b82B1 VAL 206 HG13 -0.10 0.01 -0.21 -0.04 0.97 0.63 2b82B1 VAL 206 HG23 -0.33 0.04 -0.33 -0.04 0.95 0.29 2b82B1 ILE 207 H 0.10 0.65 0.23 -0.55 8.25 8.67 2b82B1 ILE 207 HA 0.17 0.22 0.68 -0.75 4.18 4.50 2b82B1 ILE 207 HB 0.09 -0.06 0.15 -0.04 1.89 2.03 2b82B1 ILE 207 HG12 0.10 -0.01 -0.19 -0.04 1.49 1.35 2b82B1 ILE 207 HG13 0.10 0.08 -0.09 -0.04 1.21 1.27 2b82B1 ILE 207 HG23 0.05 0.04 -0.06 -0.04 0.93 0.92 2b82B1 ILE 207 HD13 0.08 -0.01 -0.12 -0.04 0.88 0.79 2b82B1 VAL 208 H 0.22 0.57 0.38 -0.55 8.24 8.86 2b82B1 VAL 208 HA 0.01 0.02 0.48 -0.75 4.13 3.89 2b82B1 VAL 208 HB -0.18 -0.00 0.06 -0.04 2.12 1.95 2b82B1 VAL 208 HG13 -0.07 0.03 0.02 -0.04 0.97 0.91 2b82B1 VAL 208 HG23 0.00 0.02 0.01 -0.04 0.95 0.95 2b82B1 ASN 209 H -0.13 0.15 0.21 -0.55 8.53 8.22 2b82B1 ASN 209 HA -0.04 0.01 0.37 -0.75 4.76 4.34 2b82B1 ASN 209 HB2 -0.12 0.14 -0.05 -0.04 2.88 2.81 2b82B1 ASN 209 HB3 -0.05 -0.01 0.17 -0.04 2.79 2.86 2b82B1 ASN 209 HD21 -0.06 0.03 -0.05 -0.04 7.03 6.91 2b82B1 ASN 209 HD22 -0.03 0.02 -0.08 -0.04 7.74 7.61 2b82B1 SER 210 H 0.04 0.18 -0.18 -0.55 8.46 7.95 2b82B1 SER 210 HA -0.14 0.16 0.40 -0.75 4.49 4.16 2b82B1 SER 210 HB2 0.02 -0.01 0.20 -0.04 3.95 4.12 2b82B1 SER 210 HB3 0.03 0.09 -0.06 -0.04 3.93 3.94 2b82B1 GLU 211 H -0.00 0.03 -0.38 -0.55 8.60 7.70 2b82B1 GLU 211 HA 0.08 0.42 0.51 -0.75 4.29 4.54 2b82B1 GLU 211 HB2 0.10 -0.10 0.01 -0.04 2.09 2.06 2b82B1 GLU 211 HB3 0.10 -0.00 -0.05 -0.04 1.99 1.99 2b82B1 GLU 211 HG2 0.32 0.05 -0.26 -0.04 2.34 2.40 2b82B1 GLU 211 HG3 0.13 -0.01 -0.05 -0.04 2.34 2.37 2b82B1 TYR 212 H -0.24 0.26 -0.31 -0.55 8.29 7.45 2b82B1 TYR 212 HA 0.01 0.27 0.70 -0.75 4.56 4.79 2b82B1 TYR 212 HB2 -0.02 0.05 0.08 -0.04 3.06 3.13 2b82B1 TYR 212 HB3 -0.03 0.04 -0.17 -0.04 2.98 2.78 2b82B1 TYR 212 HD2 -0.00 -0.06 -0.01 -0.04 7.15 7.04 2b82B1 TYR 212 HE2 -0.01 -0.02 0.04 -0.04 6.85 6.82