============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 19 1.000 8.674 -9.506 37.915 -99.200 -91.000 TRP 32 1.040 14.643 -3.567 46.899 -99.200 -91.000 TRP6 32 1.020 14.882 -5.884 47.294 -99.200 -91.000 PHE 44 1.000 7.461 -17.983 36.836 -99.200 -91.000 HIS 49 0.900 9.548 -26.735 41.216 -99.200 -91.000 TYR 60 0.840 26.803 -2.014 33.979 -99.200 -91.000 HIS 78 0.900 21.478 -7.570 52.932 -99.200 -91.000 TYR 79 0.840 16.899 -11.791 46.815 -99.200 -91.000 TYR 102 0.840 33.906 -8.274 37.153 -99.200 -91.000 TYR 165 0.840 16.505 -25.565 41.845 -99.200 -91.000 HIS 175 0.900 45.746 -21.535 37.912 -99.200 -91.000 TYR 176 0.840 40.884 -15.593 41.708 -99.200 -91.000 TRP 202 1.040 33.146 -14.092 45.270 -99.200 -91.000 TRP6 202 1.020 31.689 -12.454 46.140 -99.200 -91.000 TYR 213 0.840 29.591 -1.267 50.213 -99.200 -91.000 TYR 217 0.840 27.000 -10.081 53.749 -99.200 -91.000 HIS 224 0.900 42.065 -12.307 62.268 -99.200 -91.000 HIS 242 0.900 49.704 -10.005 39.849 -99.200 -91.000 TYR 248 0.840 40.689 -8.699 29.615 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3i92B1 LYS 2 HA 0.08 0.01 0.21 -0.75 4.32 3.87 3i92B1 LYS 2 HB2 0.01 -0.01 0.09 -0.04 1.87 1.91 3i92B1 LYS 2 HB3 0.02 -0.09 0.05 -0.04 1.79 1.73 3i92B1 LYS 2 HG2 0.04 -0.20 -0.01 -0.04 1.46 1.25 3i92B1 LYS 2 HG3 -0.04 0.24 0.17 -0.04 1.46 1.79 3i92B1 LYS 2 HD2 -0.00 -0.07 -0.04 -0.04 1.69 1.54 3i92B1 LYS 2 HD3 -0.02 -0.03 -0.11 -0.04 1.68 1.48 3i92B1 LYS 2 HE2 -0.04 0.11 0.03 -0.04 2.99 3.05 3i92B1 LYS 2 HE3 -0.01 -0.04 0.02 -0.04 2.99 2.92 3i92B1 LYS 3 H 0.02 0.09 0.12 -0.55 8.42 8.10 3i92B1 LYS 3 HA 0.00 0.15 0.50 -0.75 4.32 4.22 3i92B1 LYS 3 HB2 -0.00 -0.02 0.11 -0.04 1.87 1.92 3i92B1 LYS 3 HB3 -0.02 -0.02 -0.02 -0.04 1.79 1.69 3i92B1 LYS 3 HG2 -0.02 -0.01 0.01 -0.04 1.46 1.40 3i92B1 LYS 3 HG3 -0.01 -0.03 0.08 -0.04 1.46 1.46 3i92B1 LYS 3 HD2 -0.01 -0.03 0.02 -0.04 1.69 1.63 3i92B1 LYS 3 HD3 0.00 0.03 0.07 -0.04 1.68 1.75 3i92B1 LYS 3 HE2 -0.00 0.02 -0.00 -0.04 2.99 2.96 3i92B1 LYS 3 HE3 -0.01 -0.01 -0.01 -0.04 2.99 2.91 3i92B1 LEU 4 H -0.08 0.38 0.25 -0.55 8.37 8.37 3i92B1 LEU 4 HA -0.10 0.14 0.79 -0.75 4.35 4.43 3i92B1 LEU 4 HB2 -0.29 0.15 -0.22 -0.04 1.64 1.23 3i92B1 LEU 4 HB3 -0.29 -0.14 -0.01 -0.04 1.64 1.16 3i92B1 LEU 4 HG -0.33 -0.04 -0.13 -0.04 1.64 1.10 3i92B1 LEU 4 HD13 -0.15 0.03 -0.00 -0.04 0.93 0.77 3i92B1 LEU 4 HD23 -0.78 -0.01 -0.14 -0.04 0.89 -0.08 3i92B1 THR 5 H -0.07 0.21 0.18 -0.55 8.28 8.05 3i92B1 THR 5 HA -0.04 0.16 0.91 -0.75 4.39 4.66 3i92B1 THR 5 HB -0.00 0.07 0.27 -0.04 4.32 4.61 3i92B1 THR 5 HG23 0.10 -0.01 -0.22 -0.04 1.22 1.05 3i92B1 ILE 6 H -0.02 0.65 0.33 -0.55 8.25 8.67 3i92B1 ILE 6 HA -0.01 0.35 1.04 -0.75 4.18 4.82 3i92B1 ILE 6 HB 0.03 -0.09 -0.04 -0.04 1.89 1.75 3i92B1 ILE 6 HG12 -0.16 0.12 -0.30 -0.04 1.49 1.11 3i92B1 ILE 6 HG13 -0.14 -0.02 -0.33 -0.04 1.21 0.68 3i92B1 ILE 6 HG23 0.03 0.01 -0.29 -0.04 0.93 0.64 3i92B1 ILE 6 HD13 -0.06 -0.00 -0.19 -0.04 0.88 0.58 3i92B1 GLY 7 H 0.10 0.45 0.29 -0.55 8.43 8.72 3i92B1 GLY 7 HA2 0.10 0.12 1.03 -0.51 4.01 4.76 3i92B1 GLY 7 HA3 0.27 0.05 0.36 -0.51 4.01 4.17 3i92B1 LEU 8 H 0.07 0.63 0.31 -0.55 8.37 8.83 3i92B1 LEU 8 HA 0.06 0.18 0.84 -0.75 4.35 4.68 3i92B1 LEU 8 HB2 0.15 -0.04 -0.00 -0.04 1.64 1.71 3i92B1 LEU 8 HB3 0.06 -0.08 0.17 -0.04 1.64 1.74 3i92B1 LEU 8 HG 0.06 -0.05 -0.10 -0.04 1.64 1.51 3i92B1 LEU 8 HD13 0.07 0.05 -0.05 -0.04 0.93 0.96 3i92B1 LEU 8 HD23 0.18 -0.02 -0.05 -0.04 0.89 0.95 3i92B1 ILE 9 H 0.03 0.70 0.41 -0.55 8.25 8.83 3i92B1 ILE 9 HA -0.00 0.19 0.90 -0.75 4.18 4.51 3i92B1 ILE 9 HB 0.04 0.02 -0.19 -0.04 1.89 1.72 3i92B1 ILE 9 HG12 -0.01 -0.04 -0.22 -0.04 1.49 1.18 3i92B1 ILE 9 HG13 -0.01 0.02 0.02 -0.04 1.21 1.19 3i92B1 ILE 9 HG23 0.01 0.01 -0.13 -0.04 0.93 0.79 3i92B1 ILE 9 HD13 0.00 0.01 -0.14 -0.04 0.88 0.70 3i92B1 GLY 10 H -0.03 0.34 0.17 -0.55 8.43 8.36 3i92B1 GLY 10 HA2 -0.02 0.08 0.36 -0.51 4.01 3.92 3i92B1 GLY 10 HA3 -0.02 0.08 0.49 -0.51 4.01 4.05 3i92B1 ASN 11 H -0.06 0.16 0.20 -0.55 8.53 8.28 3i92B1 ASN 11 HA -0.30 0.26 0.58 -0.75 4.76 4.54 3i92B1 ASN 11 HB2 -0.08 -0.10 0.13 -0.04 2.88 2.79 3i92B1 ASN 11 HB3 -0.30 0.09 -0.02 -0.04 2.79 2.51 3i92B1 ASN 11 HD21 0.20 0.16 0.02 -0.04 7.03 7.38 3i92B1 ASN 11 HD22 0.13 -0.05 -0.03 -0.04 7.74 7.76 3i92B1 PRO 12 HA -0.10 -0.04 0.41 -0.51 4.44 4.20 3i92B1 PRO 12 HB2 -0.08 0.07 -0.02 -0.04 2.28 2.21 3i92B1 PRO 12 HB3 -0.06 0.03 0.06 -0.04 2.02 2.01 3i92B1 PRO 12 HG2 -0.22 0.07 -0.02 -0.04 2.03 1.82 3i92B1 PRO 12 HG3 -0.17 0.05 -0.16 -0.04 2.03 1.71 3i92B1 PRO 12 HD2 -1.51 0.14 0.05 -0.04 3.68 2.33 3i92B1 PRO 12 HD3 -0.57 0.06 -0.04 -0.04 3.65 3.07 3i92B1 ASN 13 H -0.04 0.07 0.20 -0.55 8.53 8.22 3i92B1 ASN 13 HA -0.01 -0.06 0.35 -0.75 4.76 4.29 3i92B1 ASN 13 HB2 0.01 -0.04 -0.52 -0.04 2.88 2.29 3i92B1 ASN 13 HB3 0.02 0.12 0.09 -0.04 2.79 2.97 3i92B1 ASN 13 HD21 0.02 0.02 0.02 -0.04 7.03 7.04 3i92B1 ASN 13 HD22 0.02 0.04 0.03 -0.04 7.74 7.80 3i92B1 SER 14 H -0.03 0.16 -0.16 -0.55 8.46 7.88 3i92B1 SER 14 HA -0.00 0.20 0.65 -0.75 4.49 4.59 3i92B1 SER 14 HB2 -0.01 -0.09 -0.09 -0.04 3.95 3.72 3i92B1 SER 14 HB3 -0.03 0.10 -0.08 -0.04 3.93 3.88 3i92B1 GLY 15 H -0.00 -0.00 -0.19 -0.55 8.43 7.68 3i92B1 GLY 15 HA2 0.01 0.02 0.21 -0.51 4.01 3.74 3i92B1 GLY 15 HA3 0.01 0.16 0.64 -0.51 4.01 4.31 3i92B1 LYS 16 H -0.00 -0.01 -0.02 -0.55 8.42 7.83 3i92B1 LYS 16 HA 0.02 0.16 0.14 -0.75 4.32 3.89 3i92B1 LYS 16 HB2 -0.01 0.08 -0.12 -0.04 1.87 1.79 3i92B1 LYS 16 HB3 -0.01 -0.12 0.03 -0.04 1.79 1.65 3i92B1 LYS 16 HG2 -0.01 -0.00 -0.34 -0.04 1.46 1.07 3i92B1 LYS 16 HG3 0.02 0.01 -0.18 -0.04 1.46 1.26 3i92B1 LYS 16 HD2 -0.03 0.34 -0.17 -0.04 1.69 1.79 3i92B1 LYS 16 HD3 -0.01 -0.07 -0.35 -0.04 1.68 1.20 3i92B1 LYS 16 HE2 -0.04 0.11 -0.17 -0.04 2.99 2.85 3i92B1 LYS 16 HE3 -0.04 -0.07 -0.20 -0.04 2.99 2.65 3i92B1 THR 17 H 0.01 -0.02 -0.13 -0.55 8.28 7.60 3i92B1 THR 17 HA 0.07 0.19 0.47 -0.75 4.39 4.37 3i92B1 THR 17 HB 0.02 -0.09 0.06 -0.04 4.32 4.27 3i92B1 THR 17 HG23 0.06 0.04 -0.16 -0.04 1.22 1.11 3i92B1 THR 18 H 0.03 -0.01 -0.17 -0.55 8.28 7.58 3i92B1 THR 18 HA 0.03 0.10 0.31 -0.75 4.39 4.08 3i92B1 THR 18 HB 0.01 0.07 -0.04 -0.04 4.32 4.33 3i92B1 THR 18 HG23 0.00 0.03 -0.31 -0.04 1.22 0.90 3i92B1 LEU 19 H 0.04 0.29 -0.50 -0.55 8.37 7.65 3i92B1 LEU 19 HA -0.01 0.08 0.48 -0.75 4.35 4.14 3i92B1 LEU 19 HB2 0.01 -0.06 0.01 -0.04 1.64 1.56 3i92B1 LEU 19 HB3 0.04 0.14 0.01 -0.04 1.64 1.79 3i92B1 LEU 19 HG -0.01 0.03 -0.23 -0.04 1.64 1.39 3i92B1 LEU 19 HD13 -0.04 -0.02 -0.06 -0.04 0.93 0.78 3i92B1 LEU 19 HD23 0.01 0.00 -0.12 -0.04 0.89 0.74 3i92B1 PHE 20 H 0.18 0.32 -0.09 -0.55 8.34 8.19 3i92B1 PHE 20 HA -0.01 0.01 0.37 -0.75 4.62 4.24 3i92B1 PHE 20 HB2 0.01 0.02 0.11 -0.04 3.15 3.24 3i92B1 PHE 20 HB3 -0.00 0.05 0.19 -0.04 3.06 3.25 3i92B1 PHE 20 HD2 0.02 -0.01 -0.21 -0.04 7.28 7.03 3i92B1 PHE 20 HE2 0.01 0.07 -0.32 -0.04 7.38 7.10 3i92B1 PHE 20 HZ -0.00 0.02 -0.70 -0.04 7.32 6.60 3i92B1 ASN 21 H 0.13 0.63 -0.19 -0.55 8.53 8.55 3i92B1 ASN 21 HA -0.06 0.11 0.33 -0.75 4.76 4.39 3i92B1 ASN 21 HB2 0.03 0.09 0.02 -0.04 2.88 2.98 3i92B1 ASN 21 HB3 0.01 -0.00 -0.03 -0.04 2.79 2.73 3i92B1 ASN 21 HD21 0.19 -0.06 -0.12 -0.04 7.03 7.00 3i92B1 ASN 21 HD22 0.18 0.09 -0.12 -0.04 7.74 7.85 3i92B1 GLN 22 H -0.06 0.29 -0.33 -0.55 8.47 7.83 3i92B1 GLN 22 HA -0.08 0.05 0.53 -0.75 4.36 4.10 3i92B1 GLN 22 HB2 -0.08 0.04 0.21 -0.04 2.15 2.28 3i92B1 GLN 22 HB3 -0.09 -0.09 -0.00 -0.04 2.02 1.80 3i92B1 GLN 22 HG2 -0.03 0.00 0.09 -0.04 2.40 2.42 3i92B1 GLN 22 HG3 -0.03 0.12 0.11 -0.04 2.39 2.55 3i92B1 GLN 22 HE21 -0.03 -0.03 0.01 -0.04 6.97 6.89 3i92B1 GLN 22 HE22 -0.03 -0.03 -0.00 -0.04 7.69 7.58 3i92B1 LEU 23 H -0.22 0.55 -0.05 -0.55 8.37 8.10 3i92B1 LEU 23 HA -0.47 0.03 0.46 -0.75 4.35 3.63 3i92B1 LEU 23 HB2 -0.40 0.06 0.05 -0.04 1.64 1.31 3i92B1 LEU 23 HB3 -1.48 -0.02 -0.10 -0.04 1.64 -0.01 3i92B1 LEU 23 HG -0.25 0.00 -0.03 -0.04 1.64 1.32 3i92B1 LEU 23 HD13 -0.10 -0.02 -0.15 -0.04 0.93 0.61 3i92B1 LEU 23 HD23 -0.53 -0.01 -0.07 -0.04 0.89 0.25 3i92B1 THR 24 H -0.33 0.41 -0.21 -0.55 8.28 7.60 3i92B1 THR 24 HA -0.04 0.19 0.47 -0.75 4.39 4.26 3i92B1 THR 24 HB -0.23 0.08 -0.14 -0.04 4.32 3.98 3i92B1 THR 24 HG23 -0.44 -0.05 -0.24 -0.04 1.22 0.45 3i92B1 GLY 25 H -0.15 0.29 -0.25 -0.55 8.43 7.78 3i92B1 GLY 25 HA2 -0.06 0.12 0.35 -0.51 4.01 3.91 3i92B1 GLY 25 HA3 -0.05 -0.06 0.44 -0.51 4.01 3.82 3i92B1 SER 26 H -0.03 0.10 0.23 -0.55 8.46 8.21 3i92B1 SER 26 HA -0.01 0.12 0.62 -0.75 4.49 4.47 3i92B1 SER 26 HB2 -0.00 -0.00 0.14 -0.04 3.95 4.05 3i92B1 SER 26 HB3 -0.01 -0.03 0.10 -0.04 3.93 3.95 3i92B1 ARG 27 H -0.03 0.39 0.00 -0.55 8.46 8.27 3i92B1 ARG 27 HA -0.00 0.02 0.49 -0.75 4.34 4.10 3i92B1 ARG 27 HB2 -0.00 0.30 0.40 -0.04 1.90 2.55 3i92B1 ARG 27 HB3 -0.00 -0.09 0.23 -0.04 1.80 1.90 3i92B1 ARG 27 HG2 -0.00 -0.05 0.07 -0.04 1.67 1.64 3i92B1 ARG 27 HG3 -0.01 -0.12 0.14 -0.04 1.67 1.65 3i92B1 ARG 27 HD2 0.01 -0.04 0.05 -0.04 3.22 3.20 3i92B1 ARG 27 HD3 0.01 -0.08 0.06 -0.04 3.22 3.17 3i92B1 GLN 28 H 0.01 0.60 0.29 -0.55 8.47 8.82 3i92B1 GLN 28 HA 0.06 0.14 0.94 -0.75 4.36 4.74 3i92B1 GLN 28 HB2 0.25 -0.01 -0.03 -0.04 2.15 2.32 3i92B1 GLN 28 HB3 -0.00 0.03 -0.42 -0.04 2.02 1.58 3i92B1 GLN 28 HG2 0.04 0.09 -0.17 -0.04 2.40 2.32 3i92B1 GLN 28 HG3 0.09 -0.07 -0.33 -0.04 2.39 2.04 3i92B1 GLN 28 HE21 0.16 -0.09 -0.12 -0.04 6.97 6.88 3i92B1 GLN 28 HE22 0.11 -0.03 -0.16 -0.04 7.69 7.57 3i92B1 ARG 29 H 0.09 0.71 0.42 -0.55 8.46 9.13 3i92B1 ARG 29 HA 0.01 0.14 0.89 -0.75 4.34 4.62 3i92B1 ARG 29 HB2 0.00 0.02 -0.10 -0.04 1.90 1.79 3i92B1 ARG 29 HB3 -0.02 -0.04 0.05 -0.04 1.80 1.76 3i92B1 ARG 29 HG2 -0.02 -0.08 0.05 -0.04 1.67 1.58 3i92B1 ARG 29 HG3 -0.01 0.03 0.02 -0.04 1.67 1.67 3i92B1 ARG 29 HD2 -0.03 0.01 -0.05 -0.04 3.22 3.11 3i92B1 ARG 29 HD3 -0.06 -0.03 -0.11 -0.04 3.22 2.98 3i92B1 VAL 30 H -0.02 0.22 0.12 -0.55 8.24 8.01 3i92B1 VAL 30 HA -0.07 0.15 0.98 -0.75 4.13 4.43 3i92B1 VAL 30 HB -0.02 0.01 0.16 -0.04 2.12 2.22 3i92B1 VAL 30 HG13 -0.04 -0.00 -0.12 -0.04 0.97 0.76 3i92B1 VAL 30 HG23 0.00 -0.00 -0.19 -0.04 0.95 0.71 3i92B1 GLY 31 H -0.15 0.46 0.02 -0.55 8.43 8.21 3i92B1 GLY 31 HA2 -0.08 0.19 0.82 -0.51 4.01 4.43 3i92B1 GLY 31 HA3 -0.13 0.03 0.37 -0.51 4.01 3.77 3i92B1 ASN 32 H -0.15 0.25 0.18 -0.55 8.53 8.27 3i92B1 ASN 32 HA -0.15 0.11 0.83 -0.75 4.76 4.80 3i92B1 ASN 32 HB2 0.03 0.28 -0.05 -0.04 2.88 3.10 3i92B1 ASN 32 HB3 -0.02 -0.03 -0.24 -0.04 2.79 2.45 3i92B1 ASN 32 HD21 0.01 -0.16 -0.19 -0.04 7.03 6.65 3i92B1 ASN 32 HD22 0.03 0.55 -0.19 -0.04 7.74 8.10 3i92B1 TRP 33 H 0.18 0.49 0.05 -0.55 7.97 8.15 3i92B1 TRP 33 HA -0.02 0.07 0.61 -0.75 4.62 4.53 3i92B1 TRP 33 HB2 -0.02 -0.09 0.04 -0.04 3.23 3.12 3i92B1 TRP 33 HB3 -0.02 0.04 -0.05 -0.04 3.23 3.16 3i92B1 TRP 33 HD1 -0.04 -0.01 -0.41 -0.04 7.22 6.72 3i92B1 TRP 33 HE1 -0.08 0.18 -0.09 -0.04 10.20 10.17 3i92B1 TRP 33 HE3 0.01 -0.00 -0.04 -0.04 7.59 7.52 3i92B1 TRP 33 HZ2 -0.19 0.01 -0.11 -0.04 7.44 7.10 3i92B1 TRP 33 HZ3 0.05 0.04 -0.07 -0.04 7.13 7.11 3i92B1 TRP 33 HH2 -0.44 0.02 -0.10 -0.04 7.19 6.63 3i92B1 ALA 34 H 0.15 0.15 0.13 -0.55 8.40 8.28 3i92B1 ALA 34 HA 0.05 0.01 0.26 -0.75 4.34 3.90 3i92B1 ALA 34 HB3 0.07 0.02 0.12 -0.04 1.41 1.58 3i92B1 GLY 35 H 0.04 0.13 -0.03 -0.55 8.43 8.03 3i92B1 GLY 35 HA2 0.03 -0.03 0.34 -0.51 4.01 3.85 3i92B1 GLY 35 HA3 0.04 0.12 0.62 -0.51 4.01 4.28 3i92B1 VAL 36 H 0.09 0.45 -0.20 -0.55 8.24 8.03 3i92B1 VAL 36 HA 0.04 0.08 0.50 -0.75 4.13 4.01 3i92B1 VAL 36 HB 0.05 -0.19 0.16 -0.04 2.12 2.10 3i92B1 VAL 36 HG13 0.03 0.04 0.01 -0.04 0.97 1.01 3i92B1 VAL 36 HG23 0.15 0.06 -0.04 -0.04 0.95 1.08 3i92B1 THR 37 H 0.04 0.09 0.18 -0.55 8.28 8.04 3i92B1 THR 37 HA 0.04 0.19 0.51 -0.75 4.39 4.37 3i92B1 THR 37 HB 0.03 0.01 0.10 -0.04 4.32 4.41 3i92B1 THR 37 HG23 0.02 0.02 0.05 -0.04 1.22 1.27 3i92B1 VAL 38 H 0.10 -0.05 -0.28 -0.55 8.24 7.45 3i92B1 VAL 38 HA 0.09 0.01 0.42 -0.75 4.13 3.91 3i92B1 VAL 38 HB 0.25 0.02 0.01 -0.04 2.12 2.36 3i92B1 VAL 38 HG13 0.14 0.05 -0.01 -0.04 0.97 1.10 3i92B1 VAL 38 HG23 0.03 -0.04 0.04 -0.04 0.95 0.94 3i92B1 GLU 39 H 0.11 0.02 0.22 -0.55 8.60 8.40 3i92B1 GLU 39 HA -0.01 0.29 0.55 -0.75 4.29 4.37 3i92B1 GLU 39 HB2 0.01 0.01 0.14 -0.04 2.09 2.22 3i92B1 GLU 39 HB3 0.02 -0.08 0.11 -0.04 1.99 1.99 3i92B1 GLU 39 HG2 -0.07 -0.03 -0.08 -0.04 2.34 2.12 3i92B1 GLU 39 HG3 -0.03 0.09 0.00 -0.04 2.34 2.36 3i92B1 ARG 40 H -0.20 0.68 -0.07 -0.55 8.46 8.32 3i92B1 ARG 40 HA -0.31 0.20 0.80 -0.75 4.34 4.28 3i92B1 ARG 40 HB2 -1.92 -0.03 -0.42 -0.04 1.90 -0.51 3i92B1 ARG 40 HB3 -0.70 -0.07 -0.29 -0.04 1.80 0.70 3i92B1 ARG 40 HG2 -0.70 0.03 -0.38 -0.04 1.67 0.57 3i92B1 ARG 40 HG3 -1.89 0.03 -0.19 -0.04 1.67 -0.42 3i92B1 ARG 40 HD2 -1.39 -0.04 -0.22 -0.04 3.22 1.53 3i92B1 ARG 40 HD3 -0.62 -0.01 -0.14 -0.04 3.22 2.41 3i92B1 LYS 41 H -0.22 0.21 0.04 -0.55 8.42 7.89 3i92B1 LYS 41 HA -0.14 0.31 0.91 -0.75 4.32 4.66 3i92B1 LYS 41 HB2 -0.51 -0.07 0.15 -0.04 1.87 1.40 3i92B1 LYS 41 HB3 -0.31 0.07 -0.02 -0.04 1.79 1.50 3i92B1 LYS 41 HG2 -0.08 0.06 -0.01 -0.04 1.46 1.39 3i92B1 LYS 41 HG3 -0.14 -0.08 -0.05 -0.04 1.46 1.15 3i92B1 LYS 41 HD2 -0.06 0.04 -0.07 -0.04 1.69 1.55 3i92B1 LYS 41 HD3 -0.05 -0.01 -0.06 -0.04 1.68 1.53 3i92B1 LYS 41 HE2 -0.16 0.04 -0.01 -0.04 2.99 2.81 3i92B1 LYS 41 HE3 -0.35 -0.02 -0.01 -0.04 2.99 2.57 3i92B1 GLU 42 H -0.01 0.49 0.39 -0.55 8.60 8.93 3i92B1 GLU 42 HA 0.10 0.27 1.01 -0.75 4.29 4.92 3i92B1 GLU 42 HB2 -0.10 -0.04 -0.07 -0.04 2.09 1.83 3i92B1 GLU 42 HB3 -0.01 -0.06 0.05 -0.04 1.99 1.93 3i92B1 GLU 42 HG2 0.04 0.07 -0.00 -0.04 2.34 2.41 3i92B1 GLU 42 HG3 -0.01 0.01 -0.01 -0.04 2.34 2.29 3i92B1 GLY 43 H 0.25 0.74 0.37 -0.55 8.43 9.24 3i92B1 GLY 43 HA2 0.06 0.14 0.83 -0.51 4.01 4.53 3i92B1 GLY 43 HA3 -0.04 0.02 0.36 -0.51 4.01 3.85 3i92B1 GLN 44 H -0.00 0.55 0.33 -0.55 8.47 8.80 3i92B1 GLN 44 HA -0.11 0.13 1.02 -0.75 4.36 4.64 3i92B1 GLN 44 HB2 -0.05 -0.03 0.00 -0.04 2.15 2.04 3i92B1 GLN 44 HB3 -0.07 0.19 0.20 -0.04 2.02 2.30 3i92B1 GLN 44 HG2 -0.01 0.03 0.08 -0.04 2.40 2.46 3i92B1 GLN 44 HG3 -0.02 -0.02 -0.01 -0.04 2.39 2.30 3i92B1 GLN 44 HE21 0.00 -0.01 -0.21 -0.04 6.97 6.71 3i92B1 GLN 44 HE22 0.01 0.01 -0.17 -0.04 7.69 7.51 3i92B1 PHE 45 H -0.41 0.35 0.23 -0.55 8.34 7.96 3i92B1 PHE 45 HA -0.04 0.09 0.50 -0.75 4.62 4.42 3i92B1 PHE 45 HB2 -0.05 -0.01 0.21 -0.04 3.15 3.27 3i92B1 PHE 45 HB3 -0.09 0.18 -0.02 -0.04 3.06 3.10 3i92B1 PHE 45 HD2 -0.08 0.10 -0.43 -0.04 7.28 6.84 3i92B1 PHE 45 HE2 -0.04 -0.04 -0.18 -0.04 7.38 7.08 3i92B1 PHE 45 HZ -0.03 -0.02 -0.15 -0.04 7.32 7.07 3i92B1 SER 46 H 0.20 0.18 0.21 -0.55 8.46 8.51 3i92B1 SER 46 HA 0.00 0.20 1.13 -0.75 4.49 5.06 3i92B1 SER 46 HB2 0.06 -0.06 0.10 -0.04 3.95 4.01 3i92B1 SER 46 HB3 0.04 0.15 0.03 -0.04 3.93 4.11 3i92B1 THR 47 H 0.07 0.88 0.39 -0.55 8.28 9.07 3i92B1 THR 47 HA 0.10 0.14 0.62 -0.75 4.39 4.50 3i92B1 THR 47 HB 0.12 -0.06 0.17 -0.04 4.32 4.51 3i92B1 THR 47 HG23 0.21 0.01 -0.08 -0.04 1.22 1.32 3i92B1 THR 48 H 0.05 0.14 0.11 -0.55 8.28 8.03 3i92B1 THR 48 HA 0.01 0.07 0.33 -0.75 4.39 4.04 3i92B1 THR 48 HB 0.01 0.01 0.07 -0.04 4.32 4.38 3i92B1 THR 48 HG23 -0.01 0.01 -0.01 -0.04 1.22 1.18 3i92B1 ASP 49 H -0.02 -0.10 -0.35 -0.55 8.40 7.38 3i92B1 ASP 49 HA -0.17 0.22 0.94 -0.75 4.63 4.87 3i92B1 ASP 49 HB2 -0.46 -0.02 0.03 -0.04 2.71 2.21 3i92B1 ASP 49 HB3 -0.56 0.06 0.02 -0.04 2.70 2.18 3i92B1 HIS 50 H 0.03 -0.10 -0.01 -0.55 8.41 7.79 3i92B1 HIS 50 HA -0.02 0.28 0.94 -0.75 4.63 5.07 3i92B1 HIS 50 HB2 -0.06 -0.15 -0.21 -0.04 3.26 2.79 3i92B1 HIS 50 HB3 -0.05 0.33 0.02 -0.04 3.20 3.45 3i92B1 HIS 50 HD2 0.02 0.26 -0.07 -0.04 6.97 7.13 3i92B1 HIS 50 HE1 0.09 0.06 -0.02 -0.04 7.75 7.83 3i92B1 GLN 51 H 0.04 0.23 0.03 -0.55 8.47 8.21 3i92B1 GLN 51 HA -0.06 0.11 0.87 -0.75 4.36 4.52 3i92B1 GLN 51 HB2 -0.02 -0.02 0.07 -0.04 2.15 2.14 3i92B1 GLN 51 HB3 -0.03 -0.04 0.13 -0.04 2.02 2.05 3i92B1 GLN 51 HG2 -0.04 -0.05 -0.03 -0.04 2.40 2.23 3i92B1 GLN 51 HG3 -0.09 0.21 -0.11 -0.04 2.39 2.36 3i92B1 GLN 51 HE21 -0.00 -0.07 -0.23 -0.04 6.97 6.62 3i92B1 GLN 51 HE22 -0.07 0.05 -0.14 -0.04 7.69 7.49 3i92B1 VAL 52 H -0.37 0.82 0.35 -0.55 8.24 8.48 3i92B1 VAL 52 HA -0.26 0.22 0.63 -0.75 4.13 3.96 3i92B1 VAL 52 HB -1.68 -0.09 0.01 -0.04 2.12 0.33 3i92B1 VAL 52 HG13 -0.32 -0.01 -0.08 -0.04 0.97 0.52 3i92B1 VAL 52 HG23 -0.37 0.01 -0.15 -0.04 0.95 0.41 3i92B1 THR 53 H -0.18 0.48 0.35 -0.55 8.28 8.37 3i92B1 THR 53 HA -0.10 0.21 0.76 -0.75 4.39 4.51 3i92B1 THR 53 HB -0.03 -0.09 0.20 -0.04 4.32 4.36 3i92B1 THR 53 HG23 -0.01 -0.00 -0.07 -0.04 1.22 1.10 3i92B1 LEU 54 H 0.03 0.76 0.32 -0.55 8.37 8.93 3i92B1 LEU 54 HA 0.12 0.27 0.80 -0.75 4.35 4.78 3i92B1 LEU 54 HB2 0.30 -0.01 -0.04 -0.04 1.64 1.85 3i92B1 LEU 54 HB3 0.27 -0.03 -0.01 -0.04 1.64 1.83 3i92B1 LEU 54 HG 0.41 -0.06 -0.16 -0.04 1.64 1.79 3i92B1 LEU 54 HD13 0.18 0.05 -0.15 -0.04 0.93 0.96 3i92B1 LEU 54 HD23 0.22 -0.01 -0.12 -0.04 0.89 0.95 3i92B1 VAL 55 H 0.13 0.27 0.33 -0.55 8.24 8.43 3i92B1 VAL 55 HA 0.01 0.28 1.03 -0.75 4.13 4.70 3i92B1 VAL 55 HB -0.08 -0.08 0.23 -0.04 2.12 2.15 3i92B1 VAL 55 HG13 -0.16 0.00 -0.18 -0.04 0.97 0.59 3i92B1 VAL 55 HG23 0.01 0.04 -0.19 -0.04 0.95 0.76 3i92B1 ASP 56 H -0.44 0.49 0.12 -0.55 8.40 8.03 3i92B1 ASP 56 HA -0.13 0.04 0.54 -0.75 4.63 4.32 3i92B1 ASP 56 HB2 -1.37 -0.01 0.06 -0.04 2.71 1.35 3i92B1 ASP 56 HB3 -0.57 -0.04 0.22 -0.04 2.70 2.26 3i92B1 LEU 57 H -0.03 0.47 0.38 -0.55 8.37 8.65 3i92B1 LEU 57 HA 0.13 0.01 0.19 -0.75 4.35 3.93 3i92B1 LEU 57 HB2 -0.01 0.15 0.06 -0.04 1.64 1.81 3i92B1 LEU 57 HB3 -0.04 0.01 0.05 -0.04 1.64 1.62 3i92B1 LEU 57 HG -0.11 0.04 0.02 -0.04 1.64 1.55 3i92B1 LEU 57 HD13 0.16 -0.00 -0.13 -0.04 0.93 0.92 3i92B1 LEU 57 HD23 -0.38 -0.02 -0.05 -0.04 0.89 0.40 3i92B1 PRO 58 HA -0.01 -0.04 0.54 -0.51 4.44 4.42 3i92B1 PRO 58 HB2 -0.12 0.13 0.06 -0.04 2.28 2.32 3i92B1 PRO 58 HB3 -0.07 -0.14 0.15 -0.04 2.02 1.93 3i92B1 PRO 58 HG2 -0.42 -0.02 0.12 -0.04 2.03 1.67 3i92B1 PRO 58 HG3 -0.01 0.07 0.11 -0.04 2.03 2.15 3i92B1 PRO 58 HD2 -0.18 0.07 0.18 -0.04 3.68 3.70 3i92B1 PRO 58 HD3 0.16 0.16 0.16 -0.04 3.65 4.09 3i92B1 GLY 59 H -0.04 -0.01 0.20 -0.55 8.43 8.03 3i92B1 GLY 59 HA2 -0.07 0.25 0.44 -0.51 4.01 4.12 3i92B1 GLY 59 HA3 -0.08 -0.16 0.29 -0.51 4.01 3.54 3i92B1 THR 60 H -0.14 0.54 0.34 -0.55 8.28 8.47 3i92B1 THR 60 HA -0.06 -0.04 0.59 -0.75 4.39 4.12 3i92B1 THR 60 HB -0.04 0.14 -0.24 -0.04 4.32 4.15 3i92B1 THR 60 HG23 -0.02 0.02 -0.17 -0.04 1.22 1.00 3i92B1 TYR 61 H 0.14 0.11 0.17 -0.55 8.29 8.17 3i92B1 TYR 61 HA 0.05 0.12 0.72 -0.75 4.56 4.69 3i92B1 TYR 61 HB2 0.01 -0.02 0.11 -0.04 3.06 3.12 3i92B1 TYR 61 HB3 0.01 0.06 0.07 -0.04 2.98 3.07 3i92B1 TYR 61 HD2 0.01 0.02 0.05 -0.04 7.15 7.19 3i92B1 TYR 61 HE2 0.01 0.00 -0.01 -0.04 6.85 6.80 3i92B1 SER 62 H 0.15 0.17 0.03 -0.55 8.46 8.26 3i92B1 SER 62 HA 0.24 0.15 0.33 -0.75 4.49 4.46 3i92B1 SER 62 HB2 0.44 -0.04 0.12 -0.04 3.95 4.43 3i92B1 SER 62 HB3 0.33 0.15 -0.15 -0.04 3.93 4.21 3i92B1 LEU 63 H 0.23 0.20 0.08 -0.55 8.37 8.33 3i92B1 LEU 63 HA 0.09 0.19 0.73 -0.75 4.35 4.61 3i92B1 LEU 63 HB2 0.34 0.02 0.01 -0.04 1.64 1.96 3i92B1 LEU 63 HB3 0.25 0.04 0.07 -0.04 1.64 1.96 3i92B1 LEU 63 HG 0.05 -0.06 -0.14 -0.04 1.64 1.45 3i92B1 LEU 63 HD13 -0.15 0.03 -0.12 -0.04 0.93 0.65 3i92B1 LEU 63 HD23 0.01 0.02 -0.10 -0.04 0.89 0.79 3i92B1 THR 64 H 0.20 0.08 -0.18 -0.55 8.28 7.82 3i92B1 THR 64 HA 0.09 0.16 0.94 -0.75 4.39 4.83 3i92B1 THR 64 HB 0.04 0.05 -0.13 -0.04 4.32 4.24 3i92B1 THR 64 HG23 0.04 0.00 -0.28 -0.04 1.22 0.94 3i92B1 THR 65 H 0.06 0.14 0.06 -0.55 8.28 8.00 3i92B1 THR 65 HA 0.06 0.07 0.78 -0.75 4.39 4.55 3i92B1 THR 65 HB 0.03 -0.07 0.05 -0.04 4.32 4.29 3i92B1 THR 65 HG23 0.22 -0.02 0.08 -0.04 1.22 1.45 3i92B1 ILE 66 H 0.05 0.11 0.10 -0.55 8.25 7.95 3i92B1 ILE 66 HA 0.04 0.34 0.70 -0.75 4.18 4.51 3i92B1 ILE 66 HB 0.02 0.07 0.04 -0.04 1.89 1.97 3i92B1 ILE 66 HG12 0.04 -0.01 -0.01 -0.04 1.49 1.46 3i92B1 ILE 66 HG13 0.02 -0.04 -0.10 -0.04 1.21 1.05 3i92B1 ILE 66 HG23 0.03 -0.01 -0.33 -0.04 0.93 0.57 3i92B1 ILE 66 HD13 0.02 0.01 -0.04 -0.04 0.88 0.82 3i92B1 SER 67 H 0.04 -0.09 0.02 -0.55 8.46 7.88 3i92B1 SER 67 HA 0.01 0.22 0.74 -0.75 4.49 4.71 3i92B1 SER 67 HB2 0.01 -0.12 0.19 -0.04 3.95 3.98 3i92B1 SER 67 HB3 0.00 0.05 0.06 -0.04 3.93 4.01 3i92B1 SER 68 H 0.02 0.07 0.10 -0.55 8.46 8.09 3i92B1 SER 68 HA 0.03 0.03 0.33 -0.75 4.49 4.12 3i92B1 SER 68 HB2 0.01 0.02 0.13 -0.04 3.95 4.07 3i92B1 SER 68 HB3 0.02 -0.03 0.09 -0.04 3.93 3.97 3i92B1 GLN 69 H 0.05 0.06 0.13 -0.55 8.47 8.16 3i92B1 GLN 69 HA 0.16 -0.02 0.39 -0.75 4.36 4.13 3i92B1 GLN 69 HB2 0.06 0.01 0.14 -0.04 2.15 2.32 3i92B1 GLN 69 HB3 0.05 -0.04 0.09 -0.04 2.02 2.08 3i92B1 GLN 69 HG2 0.08 0.14 -0.33 -0.04 2.40 2.25 3i92B1 GLN 69 HG3 0.14 -0.02 0.03 -0.04 2.39 2.50 3i92B1 GLN 69 HE21 0.03 -0.02 -0.01 -0.04 6.97 6.93 3i92B1 GLN 69 HE22 0.06 0.04 -0.01 -0.04 7.69 7.74 3i92B1 THR 70 H 0.21 0.06 0.17 -0.55 8.28 8.18 3i92B1 THR 70 HA 0.02 0.17 0.66 -0.75 4.39 4.48 3i92B1 THR 70 HB -0.04 0.02 0.09 -0.04 4.32 4.34 3i92B1 THR 70 HG23 -0.43 0.03 -0.08 -0.04 1.22 0.70 3i92B1 SER 71 H -0.02 0.06 0.17 -0.55 8.46 8.12 3i92B1 SER 71 HA -0.00 0.22 0.53 -0.75 4.49 4.48 3i92B1 SER 71 HB2 -0.01 -0.01 0.16 -0.04 3.95 4.05 3i92B1 SER 71 HB3 0.00 0.11 0.13 -0.04 3.93 4.13 3i92B1 LEU 72 H -0.02 0.18 0.17 -0.55 8.37 8.16 3i92B1 LEU 72 HA -0.06 0.15 0.46 -0.75 4.35 4.15 3i92B1 LEU 72 HB2 -0.02 -0.09 0.21 -0.04 1.64 1.70 3i92B1 LEU 72 HB3 -0.05 0.06 0.05 -0.04 1.64 1.66 3i92B1 LEU 72 HG -0.00 0.00 0.13 -0.04 1.64 1.73 3i92B1 LEU 72 HD13 0.01 0.01 0.08 -0.04 0.93 0.99 3i92B1 LEU 72 HD23 -0.01 0.03 0.03 -0.04 0.89 0.91 3i92B1 ASP 73 H -0.05 0.09 0.01 -0.55 8.40 7.91 3i92B1 ASP 73 HA -0.14 0.07 0.36 -0.75 4.63 4.17 3i92B1 ASP 73 HB2 -0.03 -0.10 0.10 -0.04 2.71 2.63 3i92B1 ASP 73 HB3 -0.05 0.19 0.01 -0.04 2.70 2.81 3i92B1 GLU 74 H -0.06 -0.03 -0.32 -0.55 8.60 7.64 3i92B1 GLU 74 HA -0.06 0.11 0.35 -0.75 4.29 3.93 3i92B1 GLU 74 HB2 -0.08 0.06 0.11 -0.04 2.09 2.13 3i92B1 GLU 74 HB3 -0.07 0.05 -0.03 -0.04 1.99 1.91 3i92B1 GLU 74 HG2 -0.00 0.06 0.10 -0.04 2.34 2.45 3i92B1 GLU 74 HG3 -0.01 -0.10 0.09 -0.04 2.34 2.28 3i92B1 GLN 75 H -0.13 0.52 -0.04 -0.55 8.47 8.27 3i92B1 GLN 75 HA -0.15 -0.00 0.37 -0.75 4.36 3.83 3i92B1 GLN 75 HB2 -0.11 0.04 0.20 -0.04 2.15 2.24 3i92B1 GLN 75 HB3 -0.07 -0.01 0.00 -0.04 2.02 1.90 3i92B1 GLN 75 HG2 -0.47 -0.06 0.01 -0.04 2.40 1.84 3i92B1 GLN 75 HG3 -0.23 0.11 -0.06 -0.04 2.39 2.17 3i92B1 GLN 75 HE21 0.12 -0.02 -0.06 -0.04 6.97 6.96 3i92B1 GLN 75 HE22 -0.01 0.15 -0.27 -0.04 7.69 7.52 3i92B1 ILE 76 H -0.21 0.74 -0.07 -0.55 8.25 8.16 3i92B1 ILE 76 HA -0.30 0.02 0.32 -0.75 4.18 3.47 3i92B1 ILE 76 HB -0.58 0.07 0.12 -0.04 1.89 1.46 3i92B1 ILE 76 HG12 -0.27 0.06 -0.14 -0.04 1.49 1.10 3i92B1 ILE 76 HG13 -0.49 -0.06 -0.08 -0.04 1.21 0.53 3i92B1 ILE 76 HG23 -2.06 -0.00 -0.15 -0.04 0.93 -1.32 3i92B1 ILE 76 HD13 -0.21 -0.00 -0.06 -0.04 0.88 0.56 3i92B1 ALA 77 H -0.26 0.58 0.04 -0.55 8.40 8.22 3i92B1 ALA 77 HA -0.16 -0.01 0.43 -0.75 4.34 3.84 3i92B1 ALA 77 HB3 -0.09 0.01 0.08 -0.04 1.41 1.37 3i92B1 CYS 78 H -0.06 0.59 -0.17 -0.55 8.50 8.31 3i92B1 CYS 78 HA 0.00 -0.00 0.47 -0.75 4.58 4.29 3i92B1 CYS 78 HB2 0.01 -0.02 0.14 -0.04 2.97 3.05 3i92B1 CYS 78 HB3 -0.00 0.07 0.18 -0.04 2.97 3.17 3i92B1 HIS 79 H 0.09 0.79 0.03 -0.55 8.41 8.78 3i92B1 HIS 79 HA 0.13 0.00 0.48 -0.75 4.63 4.49 3i92B1 HIS 79 HB2 0.06 -0.02 0.11 -0.04 3.26 3.37 3i92B1 HIS 79 HB3 -0.03 0.09 0.16 -0.04 3.20 3.38 3i92B1 HIS 79 HD2 0.10 0.01 -0.28 -0.04 6.97 6.76 3i92B1 HIS 79 HE1 0.06 0.00 -0.03 -0.04 7.75 7.75 3i92B1 TYR 80 H 0.13 0.56 -0.20 -0.55 8.29 8.23 3i92B1 TYR 80 HA 0.07 0.00 0.44 -0.75 4.56 4.32 3i92B1 TYR 80 HB2 -0.08 -0.01 0.07 -0.04 3.06 3.00 3i92B1 TYR 80 HB3 -0.06 0.13 0.13 -0.04 2.98 3.15 3i92B1 TYR 80 HD2 0.15 0.03 -0.10 -0.04 7.15 7.19 3i92B1 TYR 80 HE2 0.10 -0.00 -0.07 -0.04 6.85 6.84 3i92B1 ILE 81 H 0.03 0.43 -0.17 -0.55 8.25 7.99 3i92B1 ILE 81 HA -0.13 -0.00 0.38 -0.75 4.18 3.68 3i92B1 ILE 81 HB -0.09 0.14 0.17 -0.04 1.89 2.07 3i92B1 ILE 81 HG12 0.05 0.23 0.07 -0.04 1.49 1.79 3i92B1 ILE 81 HG13 -0.04 -0.09 -0.05 -0.04 1.21 1.00 3i92B1 ILE 81 HG23 -0.19 -0.01 -0.17 -0.04 0.93 0.53 3i92B1 ILE 81 HD13 0.01 -0.02 -0.06 -0.04 0.88 0.77 3i92B1 LEU 82 H -0.19 0.37 -0.15 -0.55 8.37 7.85 3i92B1 LEU 82 HA -0.24 0.09 0.40 -0.75 4.35 3.84 3i92B1 LEU 82 HB2 -0.49 0.05 0.04 -0.04 1.64 1.20 3i92B1 LEU 82 HB3 -0.53 -0.01 0.05 -0.04 1.64 1.12 3i92B1 LEU 82 HG -0.26 0.20 0.07 -0.04 1.64 1.61 3i92B1 LEU 82 HD13 -0.92 -0.03 -0.03 -0.04 0.93 -0.10 3i92B1 LEU 82 HD23 -0.22 -0.02 -0.07 -0.04 0.89 0.53 3i92B1 SER 83 H -0.23 0.25 -0.41 -0.55 8.46 7.53 3i92B1 SER 83 HA -0.10 0.03 0.34 -0.75 4.49 4.00 3i92B1 SER 83 HB2 -0.05 -0.06 0.07 -0.04 3.95 3.86 3i92B1 SER 83 HB3 -0.15 0.15 0.17 -0.04 3.93 4.06 3i92B1 GLY 84 H -0.25 0.27 -0.27 -0.55 8.43 7.64 3i92B1 GLY 84 HA2 -0.15 0.10 0.25 -0.51 4.01 3.70 3i92B1 GLY 84 HA3 -0.10 0.11 0.41 -0.51 4.01 3.92 3i92B1 ASP 85 H -0.30 0.06 -0.15 -0.55 8.40 7.46 3i92B1 ASP 85 HA -0.04 0.11 0.50 -0.75 4.63 4.44 3i92B1 ASP 85 HB2 -0.27 -0.04 0.04 -0.04 2.71 2.40 3i92B1 ASP 85 HB3 0.08 -0.03 -0.07 -0.04 2.70 2.64 3i92B1 ALA 86 H -0.27 0.03 -0.12 -0.55 8.40 7.48 3i92B1 ALA 86 HA 0.01 0.07 0.52 -0.75 4.34 4.19 3i92B1 ALA 86 HB3 0.05 0.03 -0.01 -0.04 1.41 1.44 3i92B1 ASP 87 H -0.06 0.32 0.33 -0.55 8.40 8.45 3i92B1 ASP 87 HA -0.00 0.13 0.64 -0.75 4.63 4.64 3i92B1 ASP 87 HB2 -0.17 -0.03 0.11 -0.04 2.71 2.57 3i92B1 ASP 87 HB3 0.04 0.00 0.05 -0.04 2.70 2.75 3i92B1 LEU 88 H -0.10 0.26 0.12 -0.55 8.37 8.10 3i92B1 LEU 88 HA 0.00 0.31 0.41 -0.75 4.35 4.32 3i92B1 LEU 88 HB2 -0.01 0.04 -0.02 -0.04 1.64 1.60 3i92B1 LEU 88 HB3 -0.10 0.10 -0.12 -0.04 1.64 1.48 3i92B1 LEU 88 HG -0.19 -0.12 -0.25 -0.04 1.64 1.04 3i92B1 LEU 88 HD13 -0.18 -0.00 -0.19 -0.04 0.93 0.52 3i92B1 LEU 88 HD23 -0.98 -0.02 -0.22 -0.04 0.89 -0.37 3i92B1 LEU 89 H -0.00 0.63 0.35 -0.55 8.37 8.81 3i92B1 LEU 89 HA 0.03 0.11 1.03 -0.75 4.35 4.76 3i92B1 LEU 89 HB2 -0.00 -0.03 -0.03 -0.04 1.64 1.53 3i92B1 LEU 89 HB3 0.02 -0.01 0.00 -0.04 1.64 1.61 3i92B1 LEU 89 HG -0.02 0.10 -0.21 -0.04 1.64 1.46 3i92B1 LEU 89 HD13 -0.05 -0.00 -0.10 -0.04 0.93 0.74 3i92B1 LEU 89 HD23 0.04 0.01 -0.11 -0.04 0.89 0.79 3i92B1 ILE 90 H 0.04 0.54 0.24 -0.55 8.25 8.52 3i92B1 ILE 90 HA 0.02 0.24 0.89 -0.75 4.18 4.58 3i92B1 ILE 90 HB 0.06 -0.07 0.06 -0.04 1.89 1.90 3i92B1 ILE 90 HG12 0.03 0.08 -0.02 -0.04 1.49 1.54 3i92B1 ILE 90 HG13 0.02 0.00 -0.34 -0.04 1.21 0.85 3i92B1 ILE 90 HG23 0.03 -0.01 -0.19 -0.04 0.93 0.72 3i92B1 ILE 90 HD13 0.07 -0.01 -0.15 -0.04 0.88 0.75 3i92B1 ASN 91 H 0.01 0.52 0.03 -0.55 8.53 8.55 3i92B1 ASN 91 HA 0.01 0.35 0.83 -0.75 4.76 5.20 3i92B1 ASN 91 HB2 -0.00 0.04 -0.14 -0.04 2.88 2.74 3i92B1 ASN 91 HB3 0.00 -0.08 0.02 -0.04 2.79 2.70 3i92B1 ASN 91 HD21 0.00 -0.11 -0.20 -0.04 7.03 6.68 3i92B1 ASN 91 HD22 0.00 0.33 -0.01 -0.04 7.74 8.02 3i92B1 VAL 92 H 0.01 0.60 0.26 -0.55 8.24 8.57 3i92B1 VAL 92 HA 0.01 0.20 0.75 -0.75 4.13 4.33 3i92B1 VAL 92 HB 0.00 -0.07 0.00 -0.04 2.12 2.01 3i92B1 VAL 92 HG13 0.01 -0.04 -0.33 -0.04 0.97 0.57 3i92B1 VAL 92 HG23 0.02 0.02 -0.10 -0.04 0.95 0.85 3i92B1 VAL 93 H 0.01 0.62 0.30 -0.55 8.24 8.62 3i92B1 VAL 93 HA 0.01 0.11 0.88 -0.75 4.13 4.37 3i92B1 VAL 93 HB 0.01 -0.04 -0.06 -0.04 2.12 1.99 3i92B1 VAL 93 HG13 0.02 -0.01 -0.33 -0.04 0.97 0.61 3i92B1 VAL 93 HG23 0.01 0.04 -0.29 -0.04 0.95 0.67 3i92B1 ASP 94 H 0.01 0.16 0.10 -0.55 8.40 8.12 3i92B1 ASP 94 HA 0.01 0.16 0.65 -0.75 4.63 4.71 3i92B1 ASP 94 HB2 0.01 0.05 0.09 -0.04 2.71 2.83 3i92B1 ASP 94 HB3 0.03 0.01 0.13 -0.04 2.70 2.83 3i92B1 ALA 95 H 0.01 0.75 0.32 -0.55 8.40 8.93 3i92B1 ALA 95 HA 0.01 0.04 0.17 -0.75 4.34 3.81 3i92B1 ALA 95 HB3 0.01 0.05 -0.14 -0.04 1.41 1.29 3i92B1 SER 96 H 0.02 0.05 -0.21 -0.55 8.46 7.77 3i92B1 SER 96 HA 0.01 0.18 0.47 -0.75 4.49 4.40 3i92B1 SER 96 HB2 0.02 0.08 0.01 -0.04 3.95 4.01 3i92B1 SER 96 HB3 0.01 -0.01 -0.10 -0.04 3.93 3.80 3i92B1 ASN 97 H 0.03 0.32 -0.49 -0.55 8.53 7.84 3i92B1 ASN 97 HA 0.03 0.23 0.78 -0.75 4.76 5.05 3i92B1 ASN 97 HB2 0.05 -0.02 0.06 -0.04 2.88 2.93 3i92B1 ASN 97 HB3 0.05 -0.07 0.15 -0.04 2.79 2.89 3i92B1 ASN 97 HD21 0.03 0.05 -0.11 -0.04 7.03 6.96 3i92B1 ASN 97 HD22 0.04 -0.04 -0.09 -0.04 7.74 7.62 3i92B1 LEU 98 H 0.02 0.32 -0.18 -0.55 8.37 7.99 3i92B1 LEU 98 HA 0.03 0.05 0.26 -0.75 4.35 3.93 3i92B1 LEU 98 HB2 0.01 0.07 0.10 -0.04 1.64 1.78 3i92B1 LEU 98 HB3 0.01 0.05 -0.05 -0.04 1.64 1.62 3i92B1 LEU 98 HG 0.01 0.04 -0.03 -0.04 1.64 1.63 3i92B1 LEU 98 HD13 0.01 0.01 -0.08 -0.04 0.93 0.83 3i92B1 LEU 98 HD23 0.02 -0.01 -0.10 -0.04 0.89 0.75 3i92B1 GLU 99 H 0.02 0.17 -0.11 -0.55 8.60 8.14 3i92B1 GLU 99 HA 0.02 0.08 0.17 -0.75 4.29 3.81 3i92B1 GLU 99 HB2 0.01 0.03 0.06 -0.04 2.09 2.15 3i92B1 GLU 99 HB3 0.04 0.00 -0.03 -0.04 1.99 1.95 3i92B1 GLU 99 HG2 0.00 -0.00 -0.06 -0.04 2.34 2.24 3i92B1 GLU 99 HG3 -0.05 0.05 -0.11 -0.04 2.34 2.19 3i92B1 ARG 100 H 0.06 0.10 -0.41 -0.55 8.46 7.65 3i92B1 ARG 100 HA 0.09 0.08 0.54 -0.75 4.34 4.29 3i92B1 ARG 100 HB2 0.06 -0.01 0.06 -0.04 1.90 1.98 3i92B1 ARG 100 HB3 0.07 0.03 0.11 -0.04 1.80 1.97 3i92B1 ARG 100 HG2 0.12 -0.03 -0.02 -0.04 1.67 1.70 3i92B1 ARG 100 HG3 0.16 0.02 -0.46 -0.04 1.67 1.35 3i92B1 ARG 100 HD2 0.21 -0.03 -0.03 -0.04 3.22 3.32 3i92B1 ARG 100 HD3 0.06 -0.00 0.00 -0.04 3.22 3.25 3i92B1 ASN 101 H 0.07 0.59 0.10 -0.55 8.53 8.74 3i92B1 ASN 101 HA 0.11 0.02 0.47 -0.75 4.76 4.60 3i92B1 ASN 101 HB2 0.05 0.13 0.09 -0.04 2.88 3.11 3i92B1 ASN 101 HB3 0.04 -0.07 0.07 -0.04 2.79 2.79 3i92B1 ASN 101 HD21 0.08 -0.03 0.01 -0.04 7.03 7.05 3i92B1 ASN 101 HD22 0.09 -0.03 0.05 -0.04 7.74 7.81 3i92B1 LEU 102 H 0.07 0.72 -0.18 -0.55 8.37 8.44 3i92B1 LEU 102 HA 0.04 -0.04 0.18 -0.75 4.35 3.78 3i92B1 LEU 102 HB2 0.05 0.13 -0.03 -0.04 1.64 1.75 3i92B1 LEU 102 HB3 0.03 -0.01 -0.04 -0.04 1.64 1.58 3i92B1 LEU 102 HG 0.03 0.01 -0.07 -0.04 1.64 1.57 3i92B1 LEU 102 HD13 0.01 -0.01 -0.18 -0.04 0.93 0.70 3i92B1 LEU 102 HD23 0.01 -0.01 -0.08 -0.04 0.89 0.77 3i92B1 TYR 103 H 0.22 0.34 -0.48 -0.55 8.29 7.83 3i92B1 TYR 103 HA 0.07 0.05 0.41 -0.75 4.56 4.33 3i92B1 TYR 103 HB2 0.08 0.08 0.14 -0.04 3.06 3.32 3i92B1 TYR 103 HB3 0.10 0.09 0.18 -0.04 2.98 3.31 3i92B1 TYR 103 HD2 0.10 0.07 -0.04 -0.04 7.15 7.24 3i92B1 TYR 103 HE2 0.11 -0.05 -0.02 -0.04 6.85 6.85 3i92B1 LEU 104 H 0.22 0.32 0.03 -0.55 8.37 8.39 3i92B1 LEU 104 HA 0.10 -0.07 0.40 -0.75 4.35 4.04 3i92B1 LEU 104 HB2 0.12 0.10 -0.15 -0.04 1.64 1.67 3i92B1 LEU 104 HB3 0.07 0.08 0.07 -0.04 1.64 1.82 3i92B1 LEU 104 HG 0.01 0.01 -0.41 -0.04 1.64 1.21 3i92B1 LEU 104 HD13 0.02 -0.03 -0.20 -0.04 0.93 0.68 3i92B1 LEU 104 HD23 -0.01 0.03 -0.23 -0.04 0.89 0.65 3i92B1 THR 105 H 0.04 0.24 -0.36 -0.55 8.28 7.65 3i92B1 THR 105 HA -0.01 0.01 0.26 -0.75 4.39 3.89 3i92B1 THR 105 HB 0.01 0.14 0.05 -0.04 4.32 4.49 3i92B1 THR 105 HG23 -0.01 0.00 -0.17 -0.04 1.22 1.01 3i92B1 LEU 106 H -0.03 0.62 -0.14 -0.55 8.37 8.27 3i92B1 LEU 106 HA -0.04 0.08 0.37 -0.75 4.35 4.01 3i92B1 LEU 106 HB2 -0.05 0.14 0.14 -0.04 1.64 1.83 3i92B1 LEU 106 HB3 -0.11 0.00 0.03 -0.04 1.64 1.52 3i92B1 LEU 106 HG -0.02 0.03 -0.02 -0.04 1.64 1.58 3i92B1 LEU 106 HD13 -0.03 -0.01 -0.05 -0.04 0.93 0.80 3i92B1 LEU 106 HD23 0.00 -0.01 0.01 -0.04 0.89 0.84 3i92B1 GLN 107 H -0.08 0.41 -0.24 -0.55 8.47 8.00 3i92B1 GLN 107 HA 0.01 0.02 0.40 -0.75 4.36 4.03 3i92B1 GLN 107 HB2 -0.01 0.16 0.13 -0.04 2.15 2.38 3i92B1 GLN 107 HB3 0.03 -0.04 -0.01 -0.04 2.02 1.96 3i92B1 GLN 107 HG2 0.24 0.00 0.00 -0.04 2.40 2.60 3i92B1 GLN 107 HG3 -0.20 0.21 0.06 -0.04 2.39 2.42 3i92B1 GLN 107 HE21 0.32 -0.22 0.02 -0.04 6.97 7.05 3i92B1 GLN 107 HE22 0.37 0.12 -0.04 -0.04 7.69 8.10 3i92B1 LEU 108 H -0.11 0.41 -0.23 -0.55 8.37 7.90 3i92B1 LEU 108 HA -0.25 0.03 0.47 -0.75 4.35 3.84 3i92B1 LEU 108 HB2 -0.07 0.18 0.04 -0.04 1.64 1.75 3i92B1 LEU 108 HB3 -0.09 0.02 -0.04 -0.04 1.64 1.48 3i92B1 LEU 108 HG -0.07 0.13 -0.05 -0.04 1.64 1.61 3i92B1 LEU 108 HD13 -0.03 -0.03 -0.17 -0.04 0.93 0.66 3i92B1 LEU 108 HD23 -0.11 -0.01 -0.09 -0.04 0.89 0.64 3i92B1 LEU 109 H -0.10 0.29 -0.37 -0.55 8.37 7.64 3i92B1 LEU 109 HA -0.08 0.10 0.53 -0.75 4.35 4.15 3i92B1 LEU 109 HB2 -0.04 0.02 0.16 -0.04 1.64 1.74 3i92B1 LEU 109 HB3 -0.03 0.10 0.02 -0.04 1.64 1.68 3i92B1 LEU 109 HG -0.04 0.06 -0.03 -0.04 1.64 1.59 3i92B1 LEU 109 HD13 -0.02 0.01 -0.05 -0.04 0.93 0.83 3i92B1 LEU 109 HD23 -0.03 0.03 -0.09 -0.04 0.89 0.76 3i92B1 GLU 110 H -0.10 0.54 0.05 -0.55 8.60 8.55 3i92B1 GLU 110 HA 0.01 0.08 0.51 -0.75 4.29 4.14 3i92B1 GLU 110 HB2 -0.02 0.01 0.09 -0.04 2.09 2.13 3i92B1 GLU 110 HB3 0.27 -0.04 -0.01 -0.04 1.99 2.17 3i92B1 GLU 110 HG2 0.11 0.00 0.02 -0.04 2.34 2.43 3i92B1 GLU 110 HG3 0.08 0.14 0.00 -0.04 2.34 2.53 3i92B1 LEU 111 H -0.47 0.34 -0.33 -0.55 8.37 7.37 3i92B1 LEU 111 HA -0.34 0.02 0.46 -0.75 4.35 3.73 3i92B1 LEU 111 HB2 -0.50 0.09 0.08 -0.04 1.64 1.27 3i92B1 LEU 111 HB3 -0.35 -0.00 -0.12 -0.04 1.64 1.13 3i92B1 LEU 111 HG -0.69 -0.03 -0.05 -0.04 1.64 0.84 3i92B1 LEU 111 HD13 -0.51 -0.02 0.01 -0.04 0.93 0.37 3i92B1 LEU 111 HD23 -2.22 -0.04 -0.04 -0.04 0.89 -1.46 3i92B1 GLY 112 H -0.16 0.17 -0.44 -0.55 8.43 7.45 3i92B1 GLY 112 HA2 -0.07 0.13 0.23 -0.51 4.01 3.79 3i92B1 GLY 112 HA3 -0.07 0.00 0.35 -0.51 4.01 3.78 3i92B1 ILE 113 H -0.13 0.29 0.03 -0.55 8.25 7.89 3i92B1 ILE 113 HA -0.06 0.18 0.62 -0.75 4.18 4.17 3i92B1 ILE 113 HB -0.10 -0.08 0.01 -0.04 1.89 1.68 3i92B1 ILE 113 HG12 -0.13 0.09 -0.10 -0.04 1.49 1.32 3i92B1 ILE 113 HG13 -0.18 -0.08 -0.23 -0.04 1.21 0.68 3i92B1 ILE 113 HG23 -0.06 0.03 -0.17 -0.04 0.93 0.69 3i92B1 ILE 113 HD13 -0.19 -0.02 -0.07 -0.04 0.88 0.56 3i92B1 PRO 114 HA 0.02 -0.00 0.45 -0.51 4.44 4.39 3i92B1 PRO 114 HB2 0.20 -0.02 0.11 -0.04 2.28 2.54 3i92B1 PRO 114 HB3 0.08 0.15 -0.06 -0.04 2.02 2.15 3i92B1 PRO 114 HG2 0.11 0.19 0.14 -0.04 2.03 2.44 3i92B1 PRO 114 HG3 0.02 -0.04 0.10 -0.04 2.03 2.07 3i92B1 PRO 114 HD2 0.01 0.13 0.16 -0.04 3.68 3.94 3i92B1 PRO 114 HD3 -0.01 0.18 0.30 -0.04 3.65 4.08 3i92B1 CYS 115 H 0.02 0.24 0.31 -0.55 8.50 8.52 3i92B1 CYS 115 HA 0.03 0.18 0.73 -0.75 4.58 4.75 3i92B1 CYS 115 HB2 0.00 -0.12 -0.04 -0.04 2.97 2.77 3i92B1 CYS 115 HB3 -0.01 0.08 -0.30 -0.04 2.97 2.69 3i92B1 ILE 116 H 0.02 0.46 0.22 -0.55 8.25 8.40 3i92B1 ILE 116 HA 0.02 0.23 0.90 -0.75 4.18 4.58 3i92B1 ILE 116 HB 0.03 -0.04 0.10 -0.04 1.89 1.94 3i92B1 ILE 116 HG12 0.05 0.07 -0.10 -0.04 1.49 1.46 3i92B1 ILE 116 HG13 0.06 -0.00 -0.40 -0.04 1.21 0.82 3i92B1 ILE 116 HG23 0.03 -0.03 -0.27 -0.04 0.93 0.62 3i92B1 ILE 116 HD13 0.06 0.01 -0.27 -0.04 0.88 0.64 3i92B1 VAL 117 H 0.01 0.62 0.14 -0.55 8.24 8.46 3i92B1 VAL 117 HA 0.01 0.08 0.59 -0.75 4.13 4.06 3i92B1 VAL 117 HB 0.01 0.15 0.26 -0.04 2.12 2.49 3i92B1 VAL 117 HG13 0.01 -0.05 -0.26 -0.04 0.97 0.63 3i92B1 VAL 117 HG23 0.00 0.01 -0.07 -0.04 0.95 0.85 3i92B1 ALA 118 H 0.01 0.82 0.26 -0.55 8.40 8.95 3i92B1 ALA 118 HA 0.01 0.26 0.84 -0.75 4.34 4.70 3i92B1 ALA 118 HB3 0.01 -0.02 -0.03 -0.04 1.41 1.32 3i92B1 LEU 119 H 0.01 0.41 -0.09 -0.55 8.37 8.15 3i92B1 LEU 119 HA 0.01 0.11 0.50 -0.75 4.35 4.22 3i92B1 LEU 119 HB2 0.01 0.05 -0.08 -0.04 1.64 1.57 3i92B1 LEU 119 HB3 0.01 -0.12 0.11 -0.04 1.64 1.59 3i92B1 LEU 119 HG 0.01 -0.04 -0.13 -0.04 1.64 1.44 3i92B1 LEU 119 HD13 0.01 0.04 -0.17 -0.04 0.93 0.76 3i92B1 LEU 119 HD23 0.01 0.00 -0.09 -0.04 0.89 0.77 3i92B1 ASN 120 H 0.01 0.73 0.49 -0.55 8.53 9.21 3i92B1 ASN 120 HA 0.00 0.06 0.61 -0.75 4.76 4.68 3i92B1 ASN 120 HB2 0.01 0.09 0.01 -0.04 2.88 2.95 3i92B1 ASN 120 HB3 0.01 0.12 0.01 -0.04 2.79 2.88 3i92B1 ASN 120 HD21 0.01 -0.17 0.09 -0.04 7.03 6.91 3i92B1 ASN 120 HD22 0.01 0.65 0.22 -0.04 7.74 8.57 3i92B1 MET 121 H 0.00 0.06 0.26 -0.55 8.47 8.24 3i92B1 MET 121 HA 0.00 -0.06 0.47 -0.75 4.52 4.18 3i92B1 MET 121 HB2 0.01 0.09 0.14 -0.04 2.15 2.35 3i92B1 MET 121 HB3 0.01 -0.04 0.25 -0.04 2.03 2.21 3i92B1 MET 121 HG2 0.01 -0.01 0.03 -0.04 2.63 2.62 3i92B1 MET 121 HG3 0.01 -0.04 -0.13 -0.04 2.56 2.35 3i92B1 MET 121 HE3 0.01 0.03 -0.22 -0.04 2.10 1.87 3i92B1 LEU 122 H 0.00 0.37 0.17 -0.55 8.37 8.37 3i92B1 LEU 122 HA 0.01 0.16 0.63 -0.75 4.35 4.39 3i92B1 LEU 122 HB2 0.00 -0.00 0.08 -0.04 1.64 1.68 3i92B1 LEU 122 HB3 0.00 0.06 0.01 -0.04 1.64 1.68 3i92B1 LEU 122 HG 0.00 0.11 -0.04 -0.04 1.64 1.67 3i92B1 LEU 122 HD13 0.00 0.00 0.00 -0.04 0.93 0.90 3i92B1 LEU 122 HD23 0.00 0.01 -0.01 -0.04 0.89 0.85 3i92B1 ASP 123 H 0.00 0.03 0.03 -0.55 8.40 7.91 3i92B1 ASP 123 HA 0.00 0.17 0.56 -0.75 4.63 4.61 3i92B1 ASP 123 HB2 0.00 0.12 0.04 -0.04 2.71 2.83 3i92B1 ASP 123 HB3 0.00 0.05 0.13 -0.04 2.70 2.83 3i92B1 ILE 124 H 0.01 -0.02 -0.23 -0.55 8.25 7.45 3i92B1 ILE 124 HA 0.01 0.12 0.53 -0.75 4.18 4.09 3i92B1 ILE 124 HB 0.01 0.06 0.15 -0.04 1.89 2.07 3i92B1 ILE 124 HG12 0.01 0.08 0.03 -0.04 1.49 1.57 3i92B1 ILE 124 HG13 0.01 -0.16 0.06 -0.04 1.21 1.08 3i92B1 ILE 124 HG23 0.01 0.03 -0.10 -0.04 0.93 0.83 3i92B1 ILE 124 HD13 0.01 0.01 0.02 -0.04 0.88 0.88 3i92B1 ALA 125 H 0.01 0.28 -0.22 -0.55 8.40 7.93 3i92B1 ALA 125 HA 0.01 0.04 0.38 -0.75 4.34 4.02 3i92B1 ALA 125 HB3 0.01 0.02 0.03 -0.04 1.41 1.43 3i92B1 GLU 126 H 0.00 0.50 -0.16 -0.55 8.60 8.40 3i92B1 GLU 126 HA 0.00 0.11 0.46 -0.75 4.29 4.10 3i92B1 GLU 126 HB2 0.00 0.04 0.15 -0.04 2.09 2.24 3i92B1 GLU 126 HB3 0.00 0.00 0.18 -0.04 1.99 2.14 3i92B1 GLU 126 HG2 0.00 0.02 -0.10 -0.04 2.34 2.22 3i92B1 GLU 126 HG3 0.00 0.02 0.03 -0.04 2.34 2.35 3i92B1 LYS 127 H 0.00 0.59 0.01 -0.55 8.42 8.47 3i92B1 LYS 127 HA 0.00 0.01 0.48 -0.75 4.32 4.06 3i92B1 LYS 127 HB2 0.00 0.06 0.25 -0.04 1.87 2.15 3i92B1 LYS 127 HB3 0.01 0.01 -0.02 -0.04 1.79 1.74 3i92B1 LYS 127 HG2 0.00 -0.03 0.08 -0.04 1.46 1.48 3i92B1 LYS 127 HG3 0.00 -0.07 0.04 -0.04 1.46 1.39 3i92B1 LYS 127 HD2 0.00 -0.04 0.02 -0.04 1.69 1.64 3i92B1 LYS 127 HD3 0.00 0.01 0.01 -0.04 1.68 1.67 3i92B1 LYS 127 HE2 0.00 0.06 0.16 -0.04 2.99 3.17 3i92B1 LYS 127 HE3 0.00 -0.02 0.06 -0.04 2.99 2.99 3i92B1 GLN 128 H 0.01 0.43 -0.39 -0.55 8.47 7.97 3i92B1 GLN 128 HA 0.01 0.05 0.48 -0.75 4.36 4.14 3i92B1 GLN 128 HB2 0.01 0.11 0.12 -0.04 2.15 2.35 3i92B1 GLN 128 HB3 0.01 0.00 0.05 -0.04 2.02 2.03 3i92B1 GLN 128 HG2 0.01 -0.03 0.05 -0.04 2.40 2.39 3i92B1 GLN 128 HG3 0.01 0.03 0.13 -0.04 2.39 2.51 3i92B1 GLN 128 HE21 0.01 -0.04 -0.01 -0.04 6.97 6.88 3i92B1 GLN 128 HE22 0.01 0.03 0.03 -0.04 7.69 7.72 3i92B1 ASN 129 H 0.00 0.43 -0.72 -0.55 8.53 7.70 3i92B1 ASN 129 HA 0.00 0.04 0.31 -0.75 4.76 4.35 3i92B1 ASN 129 HB2 0.00 0.01 -0.24 -0.04 2.88 2.61 3i92B1 ASN 129 HB3 0.00 0.06 0.16 -0.04 2.79 2.97 3i92B1 ASN 129 HD21 0.00 -0.06 0.04 -0.04 7.03 6.98 3i92B1 ASN 129 HD22 0.00 -0.00 0.16 -0.04 7.74 7.87 3i92B1 ILE 130 H 0.01 0.75 -0.01 -0.55 8.25 8.44 3i92B1 ILE 130 HA 0.01 0.13 0.94 -0.75 4.18 4.50 3i92B1 ILE 130 HB 0.01 -0.08 0.06 -0.04 1.89 1.83 3i92B1 ILE 130 HG12 0.01 0.03 -0.04 -0.04 1.49 1.44 3i92B1 ILE 130 HG13 0.01 0.17 -0.35 -0.04 1.21 0.99 3i92B1 ILE 130 HG23 0.01 -0.03 -0.09 -0.04 0.93 0.77 3i92B1 ILE 130 HD13 0.01 -0.04 0.03 -0.04 0.88 0.83 3i92B1 ARG 131 H 0.00 0.22 0.15 -0.55 8.46 8.29 3i92B1 ARG 131 HA 0.00 0.12 0.77 -0.75 4.34 4.48 3i92B1 ARG 131 HB2 0.00 -0.02 0.02 -0.04 1.90 1.86 3i92B1 ARG 131 HB3 0.00 0.03 -0.05 -0.04 1.80 1.74 3i92B1 ARG 131 HG2 0.00 -0.01 0.05 -0.04 1.67 1.67 3i92B1 ARG 131 HG3 0.00 0.04 -0.17 -0.04 1.67 1.50 3i92B1 ARG 131 HD2 0.00 0.01 -0.05 -0.04 3.22 3.14 3i92B1 ARG 131 HD3 0.00 0.03 -0.04 -0.04 3.22 3.17 3i92B1 ILE 132 H 0.00 0.16 0.11 -0.55 8.25 7.97 3i92B1 ILE 132 HA 0.00 0.40 0.93 -0.75 4.18 4.75 3i92B1 ILE 132 HB 0.00 -0.08 0.04 -0.04 1.89 1.82 3i92B1 ILE 132 HG12 0.01 -0.01 -0.10 -0.04 1.49 1.35 3i92B1 ILE 132 HG13 0.01 0.09 -0.22 -0.04 1.21 1.05 3i92B1 ILE 132 HG23 0.00 -0.01 -0.31 -0.04 0.93 0.57 3i92B1 ILE 132 HD13 0.01 -0.06 -0.28 -0.04 0.88 0.50 3i92B1 GLU 133 H 0.00 0.72 0.18 -0.55 8.60 8.95 3i92B1 GLU 133 HA 0.00 0.05 0.60 -0.75 4.29 4.18 3i92B1 GLU 133 HB2 -0.00 0.03 0.28 -0.04 2.09 2.36 3i92B1 GLU 133 HB3 -0.00 -0.12 0.14 -0.04 1.99 1.97 3i92B1 GLU 133 HG2 -0.00 0.21 0.11 -0.04 2.34 2.61 3i92B1 GLU 133 HG3 -0.00 0.14 0.11 -0.04 2.34 2.54 3i92B1 ILE 134 H 0.00 0.35 0.27 -0.55 8.25 8.32 3i92B1 ILE 134 HA 0.00 0.04 0.17 -0.75 4.18 3.64 3i92B1 ILE 134 HB 0.00 -0.03 0.19 -0.04 1.89 2.02 3i92B1 ILE 134 HG12 0.00 -0.04 -0.01 -0.04 1.49 1.40 3i92B1 ILE 134 HG13 0.00 0.18 0.11 -0.04 1.21 1.46 3i92B1 ILE 134 HG23 0.00 0.00 -0.09 -0.04 0.93 0.81 3i92B1 ILE 134 HD13 0.00 0.00 0.05 -0.04 0.88 0.89 3i92B1 ASP 135 H 0.00 0.11 -0.04 -0.55 8.40 7.92 3i92B1 ASP 135 HA 0.00 0.12 0.48 -0.75 4.63 4.47 3i92B1 ASP 135 HB2 0.00 -0.03 0.12 -0.04 2.71 2.76 3i92B1 ASP 135 HB3 0.00 0.05 -0.04 -0.04 2.70 2.68 3i92B1 ALA 136 H -0.00 0.05 -0.31 -0.55 8.40 7.59 3i92B1 ALA 136 HA -0.00 0.08 0.51 -0.75 4.34 4.17 3i92B1 ALA 136 HB3 -0.00 0.05 0.07 -0.04 1.41 1.49 3i92B1 LEU 137 H -0.00 0.45 -0.12 -0.55 8.37 8.15 3i92B1 LEU 137 HA -0.00 0.06 0.49 -0.75 4.35 4.14 3i92B1 LEU 137 HB2 0.00 0.02 -0.01 -0.04 1.64 1.61 3i92B1 LEU 137 HB3 0.00 0.05 -0.00 -0.04 1.64 1.65 3i92B1 LEU 137 HG 0.00 -0.02 -0.08 -0.04 1.64 1.50 3i92B1 LEU 137 HD13 0.00 -0.02 -0.13 -0.04 0.93 0.74 3i92B1 LEU 137 HD23 -0.00 0.01 -0.05 -0.04 0.89 0.81 3i92B1 SER 138 H 0.00 0.62 0.02 -0.55 8.46 8.55 3i92B1 SER 138 HA 0.00 0.10 0.46 -0.75 4.49 4.30 3i92B1 SER 138 HB2 0.00 -0.09 0.17 -0.04 3.95 4.00 3i92B1 SER 138 HB3 0.00 0.07 0.18 -0.04 3.93 4.14 3i92B1 ALA 139 H -0.00 0.33 -0.39 -0.55 8.40 7.79 3i92B1 ALA 139 HA -0.00 0.03 0.37 -0.75 4.34 3.98 3i92B1 ALA 139 HB3 -0.00 0.02 0.09 -0.04 1.41 1.48 3i92B1 ARG 140 H -0.00 0.33 -0.11 -0.55 8.46 8.12 3i92B1 ARG 140 HA -0.01 0.07 0.51 -0.75 4.34 4.16 3i92B1 ARG 140 HB2 -0.01 0.00 0.13 -0.04 1.90 1.98 3i92B1 ARG 140 HB3 -0.01 -0.01 0.04 -0.04 1.80 1.78 3i92B1 ARG 140 HG2 -0.01 0.21 0.13 -0.04 1.67 1.96 3i92B1 ARG 140 HG3 -0.01 -0.08 0.05 -0.04 1.67 1.59 3i92B1 ARG 140 HD2 -0.01 0.05 -0.00 -0.04 3.22 3.21 3i92B1 ARG 140 HD3 -0.01 -0.04 -0.08 -0.04 3.22 3.05 3i92B1 LEU 141 H -0.00 0.41 -0.10 -0.55 8.37 8.13 3i92B1 LEU 141 HA -0.01 0.04 0.43 -0.75 4.35 4.06 3i92B1 LEU 141 HB2 -0.00 0.04 0.07 -0.04 1.64 1.71 3i92B1 LEU 141 HB3 -0.01 -0.04 -0.07 -0.04 1.64 1.48 3i92B1 LEU 141 HG -0.00 0.12 0.01 -0.04 1.64 1.73 3i92B1 LEU 141 HD13 -0.00 -0.04 -0.14 -0.04 0.93 0.71 3i92B1 LEU 141 HD23 -0.01 -0.01 -0.10 -0.04 0.89 0.72 3i92B1 GLY 142 H -0.00 0.47 -0.13 -0.55 8.43 8.22 3i92B1 GLY 142 HA2 -0.00 -0.02 0.31 -0.51 4.01 3.79 3i92B1 GLY 142 HA3 -0.01 0.25 0.59 -0.51 4.01 4.34 3i92B1 CYS 143 H -0.00 0.25 0.10 -0.55 8.50 8.31 3i92B1 CYS 143 HA 0.00 0.11 0.62 -0.75 4.58 4.57 3i92B1 CYS 143 HB2 0.01 0.23 0.29 -0.04 2.97 3.46 3i92B1 CYS 143 HB3 -0.00 0.05 -0.23 -0.04 2.97 2.75 3i92B1 PRO 144 HA 0.01 0.03 0.53 -0.51 4.44 4.50 3i92B1 PRO 144 HB2 0.03 -0.07 -0.00 -0.04 2.28 2.19 3i92B1 PRO 144 HB3 0.02 0.01 0.05 -0.04 2.02 2.06 3i92B1 PRO 144 HG2 0.04 0.07 0.04 -0.04 2.03 2.14 3i92B1 PRO 144 HG3 0.03 0.06 0.05 -0.04 2.03 2.13 3i92B1 PRO 144 HD2 0.03 0.33 0.39 -0.04 3.68 4.38 3i92B1 PRO 144 HD3 0.02 0.18 0.26 -0.04 3.65 4.06 3i92B1 VAL 145 H 0.01 0.20 0.13 -0.55 8.24 8.03 3i92B1 VAL 145 HA 0.01 0.27 0.70 -0.75 4.13 4.35 3i92B1 VAL 145 HB 0.01 0.00 0.16 -0.04 2.12 2.24 3i92B1 VAL 145 HG13 0.01 -0.04 -0.19 -0.04 0.97 0.70 3i92B1 VAL 145 HG23 0.00 0.02 -0.18 -0.04 0.95 0.75 3i92B1 ILE 146 H 0.01 0.71 0.16 -0.55 8.25 8.58 3i92B1 ILE 146 HA 0.01 0.19 0.86 -0.75 4.18 4.49 3i92B1 ILE 146 HB 0.01 -0.03 0.07 -0.04 1.89 1.90 3i92B1 ILE 146 HG12 0.02 -0.01 -0.18 -0.04 1.49 1.28 3i92B1 ILE 146 HG13 0.02 0.01 -0.10 -0.04 1.21 1.10 3i92B1 ILE 146 HG23 0.01 0.01 -0.25 -0.04 0.93 0.65 3i92B1 ILE 146 HD13 0.02 0.03 -0.17 -0.04 0.88 0.72 3i92B1 PRO 147 HA 0.00 0.09 0.54 -0.51 4.44 4.56 3i92B1 PRO 147 HB2 0.00 -0.03 -0.06 -0.04 2.28 2.15 3i92B1 PRO 147 HB3 0.00 0.02 0.09 -0.04 2.02 2.10 3i92B1 PRO 147 HG2 0.00 -0.03 0.10 -0.04 2.03 2.06 3i92B1 PRO 147 HG3 0.00 0.05 0.09 -0.04 2.03 2.13 3i92B1 PRO 147 HD2 0.00 0.09 0.25 -0.04 3.68 3.99 3i92B1 PRO 147 HD3 0.00 0.25 0.17 -0.04 3.65 4.04 3i92B1 LEU 148 H 0.00 0.69 0.34 -0.55 8.37 8.86 3i92B1 LEU 148 HA -0.01 0.35 0.83 -0.75 4.35 4.77 3i92B1 LEU 148 HB2 -0.00 0.06 -0.32 -0.04 1.64 1.33 3i92B1 LEU 148 HB3 -0.00 -0.25 -0.13 -0.04 1.64 1.22 3i92B1 LEU 148 HG -0.01 0.09 -0.16 -0.04 1.64 1.51 3i92B1 LEU 148 HD13 -0.00 0.16 -0.47 -0.04 0.93 0.58 3i92B1 LEU 148 HD23 -0.01 -0.02 -0.18 -0.04 0.89 0.64 3i92B1 VAL 149 H -0.01 0.49 0.07 -0.55 8.24 8.25 3i92B1 VAL 149 HA -0.00 -0.08 0.59 -0.75 4.13 3.89 3i92B1 VAL 149 HB -0.00 0.03 0.26 -0.04 2.12 2.36 3i92B1 VAL 149 HG13 -0.00 -0.05 0.13 -0.04 0.97 1.00 3i92B1 VAL 149 HG23 -0.00 -0.01 -0.00 -0.04 0.95 0.89 3i92B1 SER 150 H -0.00 0.14 -0.01 -0.55 8.46 8.04 3i92B1 SER 150 HA -0.02 0.12 0.01 -0.75 4.49 3.85 3i92B1 SER 150 HB2 0.00 -0.03 -0.00 -0.04 3.95 3.88 3i92B1 SER 150 HB3 -0.01 0.08 -0.12 -0.04 3.93 3.85 3i92B1 THR 151 H -0.00 -0.07 -0.30 -0.55 8.28 7.35 3i92B1 THR 151 HA -0.00 0.17 0.64 -0.75 4.39 4.44 3i92B1 THR 151 HB -0.00 0.11 -0.00 -0.04 4.32 4.38 3i92B1 THR 151 HG23 0.00 0.00 0.01 -0.04 1.22 1.20 3i92B1 ARG 152 H -0.01 -0.01 0.05 -0.55 8.46 7.94 3i92B1 ARG 152 HA -0.01 0.13 0.36 -0.75 4.34 4.07 3i92B1 ARG 152 HB2 -0.01 -0.07 0.19 -0.04 1.90 1.98 3i92B1 ARG 152 HB3 -0.01 0.03 0.09 -0.04 1.80 1.88 3i92B1 ARG 152 HG2 -0.00 -0.01 0.05 -0.04 1.67 1.66 3i92B1 ARG 152 HG3 -0.00 -0.06 0.08 -0.04 1.67 1.64 3i92B1 ARG 152 HD2 -0.00 0.02 0.03 -0.04 3.22 3.23 3i92B1 ARG 152 HD3 -0.00 -0.00 0.04 -0.04 3.22 3.21 3i92B1 GLY 153 H -0.02 0.16 -0.60 -0.55 8.43 7.43 3i92B1 GLY 153 HA2 -0.03 0.06 0.17 -0.51 4.01 3.70 3i92B1 GLY 153 HA3 -0.03 0.18 0.53 -0.51 4.01 4.19 3i92B1 ARG 154 H -0.01 0.13 -0.20 -0.55 8.46 7.82 3i92B1 ARG 154 HA -0.01 0.12 0.43 -0.75 4.34 4.12 3i92B1 ARG 154 HB2 -0.01 -0.17 0.14 -0.04 1.90 1.82 3i92B1 ARG 154 HB3 -0.01 0.08 -0.09 -0.04 1.80 1.74 3i92B1 ARG 154 HG2 -0.00 -0.02 -0.01 -0.04 1.67 1.60 3i92B1 ARG 154 HG3 -0.01 0.07 -0.01 -0.04 1.67 1.68 3i92B1 ARG 154 HD2 -0.01 0.05 -0.21 -0.04 3.22 3.01 3i92B1 ARG 154 HD3 -0.01 -0.05 -0.20 -0.04 3.22 2.92 3i92B1 GLY 155 H -0.01 0.18 0.21 -0.55 8.43 8.27 3i92B1 GLY 155 HA2 -0.01 -0.02 0.36 -0.51 4.01 3.83 3i92B1 GLY 155 HA3 -0.01 0.43 0.49 -0.51 4.01 4.41 3i92B1 ILE 156 H -0.03 0.33 -0.48 -0.55 8.25 7.53 3i92B1 ILE 156 HA -0.05 0.08 0.32 -0.75 4.18 3.77 3i92B1 ILE 156 HB -0.05 0.03 0.11 -0.04 1.89 1.95 3i92B1 ILE 156 HG12 -0.05 -0.11 -0.26 -0.04 1.49 1.04 3i92B1 ILE 156 HG13 -0.06 0.08 -0.02 -0.04 1.21 1.17 3i92B1 ILE 156 HG23 -0.11 0.03 -0.21 -0.04 0.93 0.60 3i92B1 ILE 156 HD13 -0.10 0.01 -0.10 -0.04 0.88 0.66 3i92B1 GLU 157 H -0.03 0.13 -0.07 -0.55 8.60 8.09 3i92B1 GLU 157 HA -0.01 0.14 0.44 -0.75 4.29 4.10 3i92B1 GLU 157 HB2 -0.01 -0.05 0.06 -0.04 2.09 2.05 3i92B1 GLU 157 HB3 -0.00 0.06 -0.00 -0.04 1.99 2.01 3i92B1 GLU 157 HG2 -0.02 -0.02 0.04 -0.04 2.34 2.29 3i92B1 GLU 157 HG3 -0.01 0.04 0.03 -0.04 2.34 2.36 3i92B1 ALA 158 H -0.01 -0.02 -0.35 -0.55 8.40 7.47 3i92B1 ALA 158 HA 0.01 0.10 0.51 -0.75 4.34 4.20 3i92B1 ALA 158 HB3 0.00 0.04 0.09 -0.04 1.41 1.49 3i92B1 LEU 159 H -0.00 0.56 -0.22 -0.55 8.37 8.16 3i92B1 LEU 159 HA 0.02 0.05 0.51 -0.75 4.35 4.18 3i92B1 LEU 159 HB2 -0.00 0.01 0.01 -0.04 1.64 1.62 3i92B1 LEU 159 HB3 -0.02 0.14 0.11 -0.04 1.64 1.83 3i92B1 LEU 159 HG 0.02 0.00 -0.24 -0.04 1.64 1.39 3i92B1 LEU 159 HD13 0.02 -0.00 -0.09 -0.04 0.93 0.82 3i92B1 LEU 159 HD23 -0.01 -0.02 -0.13 -0.04 0.89 0.70 3i92B1 LYS 160 H 0.00 0.51 -0.03 -0.55 8.42 8.35 3i92B1 LYS 160 HA 0.09 0.05 0.47 -0.75 4.32 4.18 3i92B1 LYS 160 HB2 0.02 0.06 0.18 -0.04 1.87 2.09 3i92B1 LYS 160 HB3 0.07 -0.06 0.03 -0.04 1.79 1.79 3i92B1 LYS 160 HG2 0.06 -0.01 0.01 -0.04 1.46 1.48 3i92B1 LYS 160 HG3 -0.06 0.10 -0.01 -0.04 1.46 1.45 3i92B1 LYS 160 HD2 -0.00 -0.09 0.01 -0.04 1.69 1.57 3i92B1 LYS 160 HD3 0.08 0.04 0.10 -0.04 1.68 1.86 3i92B1 LYS 160 HE2 -0.21 0.01 -0.00 -0.04 2.99 2.75 3i92B1 LYS 160 HE3 -0.17 -0.07 -0.03 -0.04 2.99 2.68 3i92B1 LEU 161 H 0.03 0.39 -0.38 -0.55 8.37 7.86 3i92B1 LEU 161 HA 0.05 0.00 0.46 -0.75 4.35 4.11 3i92B1 LEU 161 HB2 0.02 0.09 0.19 -0.04 1.64 1.91 3i92B1 LEU 161 HB3 0.03 0.13 0.04 -0.04 1.64 1.80 3i92B1 LEU 161 HG 0.03 -0.04 0.04 -0.04 1.64 1.63 3i92B1 LEU 161 HD13 0.02 -0.01 -0.00 -0.04 0.93 0.89 3i92B1 LEU 161 HD23 0.03 -0.00 -0.05 -0.04 0.89 0.83 3i92B1 ALA 162 H 0.04 0.28 -0.32 -0.55 8.40 7.85 3i92B1 ALA 162 HA 0.06 0.06 0.30 -0.75 4.34 4.00 3i92B1 ALA 162 HB3 0.04 0.03 0.04 -0.04 1.41 1.48 3i92B1 ILE 163 H 0.07 0.33 -0.32 -0.55 8.25 7.78 3i92B1 ILE 163 HA 0.05 0.07 0.39 -0.75 4.18 3.94 3i92B1 ILE 163 HB 0.09 0.09 0.07 -0.04 1.89 2.10 3i92B1 ILE 163 HG12 -0.01 -0.01 -0.10 -0.04 1.49 1.33 3i92B1 ILE 163 HG13 0.05 0.09 -0.04 -0.04 1.21 1.28 3i92B1 ILE 163 HG23 -0.12 -0.01 -0.19 -0.04 0.93 0.57 3i92B1 ILE 163 HD13 0.15 -0.03 -0.13 -0.04 0.88 0.83 3i92B1 ASP 164 H 0.12 0.32 -0.26 -0.55 8.40 8.03 3i92B1 ASP 164 HA 0.38 0.07 0.43 -0.75 4.63 4.76 3i92B1 ASP 164 HB2 0.10 0.14 0.11 -0.04 2.71 3.02 3i92B1 ASP 164 HB3 0.10 -0.01 0.06 -0.04 2.70 2.81 3i92B1 ARG 165 H 0.13 0.18 -0.59 -0.55 8.46 7.63 3i92B1 ARG 165 HA 0.07 0.16 0.79 -0.75 4.34 4.60 3i92B1 ARG 165 HB2 0.06 0.02 0.00 -0.04 1.90 1.94 3i92B1 ARG 165 HB3 0.03 -0.05 0.10 -0.04 1.80 1.84 3i92B1 ARG 165 HG2 0.04 -0.00 -0.08 -0.04 1.67 1.59 3i92B1 ARG 165 HG3 0.06 0.04 -0.16 -0.04 1.67 1.56 3i92B1 ARG 165 HD2 0.03 -0.02 -0.11 -0.04 3.22 3.09 3i92B1 ARG 165 HD3 0.02 -0.02 -0.04 -0.04 3.22 3.14 3i92B1 TYR 166 H 0.30 0.21 -0.32 -0.55 8.29 7.92 3i92B1 TYR 166 HA 0.00 -0.04 0.22 -0.75 4.56 3.99 3i92B1 TYR 166 HB2 -0.01 -0.08 0.00 -0.04 3.06 2.93 3i92B1 TYR 166 HB3 -0.01 0.04 0.17 -0.04 2.98 3.14 3i92B1 TYR 166 HD2 -0.03 0.08 -0.10 -0.04 7.15 7.06 3i92B1 TYR 166 HE2 -0.05 0.10 -0.10 -0.04 6.85 6.76 3i92B1 LYS 167 H -0.02 0.21 0.18 -0.55 8.42 8.24 3i92B1 LYS 167 HA -0.43 0.08 0.50 -0.75 4.32 3.72 3i92B1 LYS 167 HB2 -0.13 -0.13 0.17 -0.04 1.87 1.74 3i92B1 LYS 167 HB3 -0.14 0.18 -0.21 -0.04 1.79 1.58 3i92B1 LYS 167 HG2 -0.04 -0.09 -0.09 -0.04 1.46 1.20 3i92B1 LYS 167 HG3 -0.05 0.26 -0.18 -0.04 1.46 1.45 3i92B1 LYS 167 HD2 -0.05 -0.06 -0.02 -0.04 1.69 1.52 3i92B1 LYS 167 HD3 -0.04 0.08 -0.05 -0.04 1.68 1.62 3i92B1 LYS 167 HE2 -0.01 -0.04 -0.05 -0.04 2.99 2.84 3i92B1 LYS 167 HE3 -0.02 0.05 -0.05 -0.04 2.99 2.93 3i92B1 ALA 168 H -0.11 0.07 0.14 -0.55 8.40 7.96 3i92B1 ALA 168 HA -0.03 0.02 0.45 -0.75 4.34 4.03 3i92B1 ALA 168 HB3 -0.04 0.01 0.12 -0.04 1.41 1.46 3i92B1 ASN 169 H -0.01 0.06 0.16 -0.55 8.53 8.18 3i92B1 ASN 169 HA -0.01 0.06 0.64 -0.75 4.76 4.70 3i92B1 ASN 169 HB2 -0.02 -0.07 -0.00 -0.04 2.88 2.75 3i92B1 ASN 169 HB3 -0.01 0.23 0.05 -0.04 2.79 3.02 3i92B1 ASN 169 HD21 -0.03 0.50 -0.09 -0.04 7.03 7.37 3i92B1 ASN 169 HD22 -0.04 -0.03 -0.12 -0.04 7.74 7.51 3i92B1 GLU 170 H -0.01 0.30 0.28 -0.55 8.60 8.63 3i92B1 GLU 170 HA -0.01 -0.03 0.59 -0.75 4.29 4.09 3i92B1 GLU 170 HB2 -0.01 0.01 0.18 -0.04 2.09 2.23 3i92B1 GLU 170 HB3 -0.01 -0.03 -0.05 -0.04 1.99 1.86 3i92B1 GLU 170 HG2 -0.01 -0.02 0.03 -0.04 2.34 2.30 3i92B1 GLU 170 HG3 -0.01 0.05 0.04 -0.04 2.34 2.38 3i92B1 ASN 171 H -0.01 0.07 0.14 -0.55 8.53 8.18 3i92B1 ASN 171 HA -0.00 0.11 0.25 -0.75 4.76 4.37 3i92B1 ASN 171 HB2 -0.01 0.03 0.15 -0.04 2.88 3.01 3i92B1 ASN 171 HB3 -0.00 -0.08 0.21 -0.04 2.79 2.88 3i92B1 ASN 171 HD21 0.01 -0.04 -0.01 -0.04 7.03 6.94 3i92B1 ASN 171 HD22 -0.00 -0.02 0.03 -0.04 7.74 7.71 3i92B1 VAL 172 H -0.00 0.36 0.34 -0.55 8.24 8.40 3i92B1 VAL 172 HA 0.00 -0.00 0.66 -0.75 4.13 4.03 3i92B1 VAL 172 HB 0.00 0.02 0.10 -0.04 2.12 2.19 3i92B1 VAL 172 HG13 -0.00 0.07 -0.09 -0.04 0.97 0.90 3i92B1 VAL 172 HG23 -0.00 0.03 -0.22 -0.04 0.95 0.72 3i92B1 GLU 173 H 0.01 0.04 0.14 -0.55 8.60 8.25 3i92B1 GLU 173 HA 0.03 0.04 0.58 -0.75 4.29 4.19 3i92B1 GLU 173 HB2 0.01 -0.01 0.11 -0.04 2.09 2.16 3i92B1 GLU 173 HB3 0.02 0.01 -0.08 -0.04 1.99 1.90 3i92B1 GLU 173 HG2 0.06 -0.02 0.01 -0.04 2.34 2.35 3i92B1 GLU 173 HG3 0.03 0.03 0.01 -0.04 2.34 2.37 3i92B1 LEU 174 H 0.03 0.05 -0.03 -0.55 8.37 7.88 3i92B1 LEU 174 HA -0.00 0.20 0.73 -0.75 4.35 4.53 3i92B1 LEU 174 HB2 0.03 -0.08 0.07 -0.04 1.64 1.62 3i92B1 LEU 174 HB3 0.00 -0.08 0.00 -0.04 1.64 1.53 3i92B1 LEU 174 HG 0.01 0.18 -0.60 -0.04 1.64 1.19 3i92B1 LEU 174 HD13 0.00 -0.00 -0.10 -0.04 0.93 0.79 3i92B1 LEU 174 HD23 -0.01 0.03 0.05 -0.04 0.89 0.92 3i92B1 VAL 175 H -0.01 0.19 0.14 -0.55 8.24 8.01 3i92B1 VAL 175 HA -0.11 0.21 0.90 -0.75 4.13 4.37 3i92B1 VAL 175 HB -0.52 -0.02 -0.02 -0.04 2.12 1.53 3i92B1 VAL 175 HG13 -0.51 0.05 -0.28 -0.04 0.97 0.20 3i92B1 VAL 175 HG23 -0.05 0.02 -0.08 -0.04 0.95 0.80 3i92B1 HIS 176 H -0.07 0.21 0.04 -0.55 8.41 8.05 3i92B1 HIS 176 HA -0.04 0.18 0.81 -0.75 4.63 4.82 3i92B1 HIS 176 HB2 -0.04 0.03 -0.03 -0.04 3.26 3.18 3i92B1 HIS 176 HB3 -0.05 -0.02 0.17 -0.04 3.20 3.25 3i92B1 HIS 176 HD2 -0.00 -0.06 -0.08 -0.04 6.97 6.78 3i92B1 HIS 176 HE1 0.01 -0.01 -0.03 -0.04 7.75 7.68 3i92B1 TYR 177 H -0.05 0.23 -0.05 -0.55 8.29 7.87 3i92B1 TYR 177 HA -0.01 0.04 0.46 -0.75 4.56 4.29 3i92B1 TYR 177 HB2 -0.06 0.02 -0.00 -0.04 3.06 2.97 3i92B1 TYR 177 HB3 -0.04 -0.02 -0.03 -0.04 2.98 2.86 3i92B1 TYR 177 HD2 0.01 0.02 -0.04 -0.04 7.15 7.10 3i92B1 TYR 177 HE2 0.04 0.04 -0.04 -0.04 6.85 6.85 3i92B1 ALA 178 H 0.08 0.09 0.14 -0.55 8.40 8.16 3i92B1 ALA 178 HA -0.03 0.12 0.47 -0.75 4.34 4.14 3i92B1 ALA 178 HB3 -0.07 0.01 0.11 -0.04 1.41 1.42 3i92B1 GLN 179 H -0.03 0.16 0.18 -0.55 8.47 8.23 3i92B1 GLN 179 HA -0.03 0.11 0.21 -0.75 4.36 3.89 3i92B1 GLN 179 HB2 -0.02 0.03 0.16 -0.04 2.15 2.28 3i92B1 GLN 179 HB3 -0.02 0.05 0.07 -0.04 2.02 2.09 3i92B1 GLN 179 HG2 -0.01 0.03 0.01 -0.04 2.40 2.40 3i92B1 GLN 179 HG3 -0.01 -0.03 -0.03 -0.04 2.39 2.27 3i92B1 GLN 179 HE21 -0.02 0.06 -0.02 -0.04 6.97 6.94 3i92B1 GLN 179 HE22 -0.02 -0.09 0.02 -0.04 7.69 7.56 3i92B1 PRO 180 HA -0.02 0.08 0.53 -0.51 4.44 4.51 3i92B1 PRO 180 HB2 -0.03 0.03 -0.08 -0.04 2.28 2.16 3i92B1 PRO 180 HB3 -0.02 0.07 0.02 -0.04 2.02 2.05 3i92B1 PRO 180 HG2 -0.04 0.16 -0.02 -0.04 2.03 2.09 3i92B1 PRO 180 HG3 -0.02 0.08 0.04 -0.04 2.03 2.09 3i92B1 PRO 180 HD2 -0.04 -0.01 -0.09 -0.04 3.68 3.50 3i92B1 PRO 180 HD3 -0.03 0.10 0.14 -0.04 3.65 3.82 3i92B1 LEU 181 H -0.02 0.17 -0.38 -0.55 8.37 7.59 3i92B1 LEU 181 HA -0.04 0.05 0.37 -0.75 4.35 3.98 3i92B1 LEU 181 HB2 0.01 0.22 0.01 -0.04 1.64 1.84 3i92B1 LEU 181 HB3 -0.08 0.00 -0.06 -0.04 1.64 1.46 3i92B1 LEU 181 HG -0.01 -0.05 -0.03 -0.04 1.64 1.51 3i92B1 LEU 181 HD13 0.12 -0.05 -0.03 -0.04 0.93 0.94 3i92B1 LEU 181 HD23 0.01 0.01 -0.05 -0.04 0.89 0.81 3i92B1 LEU 182 H -0.03 0.38 -0.22 -0.55 8.37 7.96 3i92B1 LEU 182 HA -0.07 0.04 0.44 -0.75 4.35 4.00 3i92B1 LEU 182 HB2 -0.02 0.07 0.07 -0.04 1.64 1.72 3i92B1 LEU 182 HB3 -0.02 -0.00 -0.05 -0.04 1.64 1.53 3i92B1 LEU 182 HG 0.03 0.01 -0.12 -0.04 1.64 1.52 3i92B1 LEU 182 HD13 -0.02 -0.01 -0.04 -0.04 0.93 0.82 3i92B1 LEU 182 HD23 0.02 -0.01 -0.03 -0.04 0.89 0.83 3i92B1 ASN 183 H -0.03 0.68 -0.02 -0.55 8.53 8.62 3i92B1 ASN 183 HA -0.02 0.03 0.44 -0.75 4.76 4.45 3i92B1 ASN 183 HB2 -0.02 0.06 0.20 -0.04 2.88 3.08 3i92B1 ASN 183 HB3 -0.02 -0.03 0.01 -0.04 2.79 2.71 3i92B1 ASN 183 HD21 -0.01 -0.05 -0.13 -0.04 7.03 6.80 3i92B1 ASN 183 HD22 -0.01 -0.05 -0.10 -0.04 7.74 7.54 3i92B1 GLU 184 H -0.03 0.61 -0.17 -0.55 8.60 8.47 3i92B1 GLU 184 HA -0.03 0.01 0.32 -0.75 4.29 3.83 3i92B1 GLU 184 HB2 -0.04 0.08 0.10 -0.04 2.09 2.19 3i92B1 GLU 184 HB3 -0.03 -0.05 -0.03 -0.04 1.99 1.84 3i92B1 GLU 184 HG2 -0.02 0.11 0.09 -0.04 2.34 2.48 3i92B1 GLU 184 HG3 -0.02 -0.02 0.02 -0.04 2.34 2.28 3i92B1 ALA 185 H -0.06 0.66 -0.11 -0.55 8.40 8.34 3i92B1 ALA 185 HA -0.07 -0.05 0.36 -0.75 4.34 3.82 3i92B1 ALA 185 HB3 -0.11 0.04 0.09 -0.04 1.41 1.39 3i92B1 ASP 186 H -0.04 0.65 -0.10 -0.55 8.40 8.37 3i92B1 ASP 186 HA -0.02 -0.01 0.37 -0.75 4.63 4.21 3i92B1 ASP 186 HB2 -0.02 0.01 0.12 -0.04 2.71 2.78 3i92B1 ASP 186 HB3 -0.02 0.13 0.08 -0.04 2.70 2.85 3i92B1 SER 187 H -0.03 0.35 -0.41 -0.55 8.46 7.81 3i92B1 SER 187 HA -0.04 -0.00 0.54 -0.75 4.49 4.24 3i92B1 SER 187 HB2 -0.03 -0.03 0.07 -0.04 3.95 3.92 3i92B1 SER 187 HB3 -0.03 0.12 0.24 -0.04 3.93 4.22 3i92B1 LEU 188 H -0.04 0.61 0.04 -0.55 8.37 8.44 3i92B1 LEU 188 HA -0.05 -0.02 0.42 -0.75 4.35 3.95 3i92B1 LEU 188 HB2 -0.03 0.13 0.16 -0.04 1.64 1.85 3i92B1 LEU 188 HB3 -0.02 -0.04 -0.06 -0.04 1.64 1.47 3i92B1 LEU 188 HG -0.02 0.08 0.03 -0.04 1.64 1.68 3i92B1 LEU 188 HD13 -0.03 -0.02 -0.04 -0.04 0.93 0.80 3i92B1 LEU 188 HD23 0.02 0.00 -0.15 -0.04 0.89 0.72 3i92B1 ALA 189 H -0.03 0.38 -0.36 -0.55 8.40 7.85 3i92B1 ALA 189 HA -0.01 0.03 0.23 -0.75 4.34 3.84 3i92B1 ALA 189 HB3 -0.01 0.03 -0.10 -0.04 1.41 1.29 3i92B1 LYS 190 H -0.03 0.39 -0.22 -0.55 8.42 8.01 3i92B1 LYS 190 HA -0.02 -0.01 0.37 -0.75 4.32 3.91 3i92B1 LYS 190 HB2 -0.06 0.14 0.17 -0.04 1.87 2.08 3i92B1 LYS 190 HB3 -0.04 -0.08 0.02 -0.04 1.79 1.65 3i92B1 LYS 190 HG2 -0.02 -0.07 0.07 -0.04 1.46 1.40 3i92B1 LYS 190 HG3 -0.03 0.26 0.15 -0.04 1.46 1.80 3i92B1 LYS 190 HD2 -0.04 0.00 0.06 -0.04 1.69 1.67 3i92B1 LYS 190 HD3 -0.02 -0.06 0.02 -0.04 1.68 1.57 3i92B1 LYS 190 HE2 -0.02 -0.03 -0.01 -0.04 2.99 2.89 3i92B1 LYS 190 HE3 -0.02 0.06 -0.08 -0.04 2.99 2.91 3i92B1 VAL 191 H -0.08 0.27 -0.26 -0.55 8.24 7.62 3i92B1 VAL 191 HA -0.05 0.10 0.56 -0.75 4.13 3.98 3i92B1 VAL 191 HB -0.14 -0.11 0.14 -0.04 2.12 1.97 3i92B1 VAL 191 HG13 -0.21 -0.01 -0.02 -0.04 0.97 0.69 3i92B1 VAL 191 HG23 -0.30 0.01 0.04 -0.04 0.95 0.66 3i92B1 MET 192 H -0.01 0.51 -0.56 -0.55 8.47 7.85 3i92B1 MET 192 HA 0.02 0.06 0.92 -0.75 4.52 4.77 3i92B1 MET 192 HB2 0.01 0.19 0.08 -0.04 2.15 2.38 3i92B1 MET 192 HB3 0.03 -0.00 0.12 -0.04 2.03 2.14 3i92B1 MET 192 HG2 0.02 0.13 0.02 -0.04 2.63 2.75 3i92B1 MET 192 HG3 -0.00 0.21 -0.05 -0.04 2.56 2.67 3i92B1 MET 192 HE3 -0.00 -0.02 -0.32 -0.04 2.10 1.72 3i92B1 PRO 193 HA 0.02 -0.00 0.59 -0.51 4.44 4.53 3i92B1 PRO 193 HB2 0.03 -0.09 -0.01 -0.04 2.28 2.17 3i92B1 PRO 193 HB3 0.03 0.00 0.13 -0.04 2.02 2.14 3i92B1 PRO 193 HG2 0.05 0.05 0.11 -0.04 2.03 2.21 3i92B1 PRO 193 HG3 0.05 0.08 0.08 -0.04 2.03 2.20 3i92B1 PRO 193 HD2 0.04 0.23 0.17 -0.04 3.68 4.09 3i92B1 PRO 193 HD3 0.03 -0.03 0.12 -0.04 3.65 3.74 3i92B1 SER 194 H 0.01 0.09 0.22 -0.55 8.46 8.24 3i92B1 SER 194 HA 0.01 0.21 0.46 -0.75 4.49 4.42 3i92B1 SER 194 HB2 0.01 -0.06 0.14 -0.04 3.95 3.99 3i92B1 SER 194 HB3 0.00 0.00 0.13 -0.04 3.93 4.03 3i92B1 ASP 195 H 0.02 -0.00 -0.29 -0.55 8.40 7.57 3i92B1 ASP 195 HA 0.01 0.15 0.65 -0.75 4.63 4.68 3i92B1 ASP 195 HB2 0.01 0.03 0.13 -0.04 2.71 2.84 3i92B1 ASP 195 HB3 0.01 -0.08 0.05 -0.04 2.70 2.64 3i92B1 ILE 196 H 0.02 0.27 -0.37 -0.55 8.25 7.62 3i92B1 ILE 196 HA 0.00 0.21 0.82 -0.75 4.18 4.46 3i92B1 ILE 196 HB 0.03 0.06 -0.02 -0.04 1.89 1.91 3i92B1 ILE 196 HG12 0.05 0.03 -0.09 -0.04 1.49 1.44 3i92B1 ILE 196 HG13 0.04 -0.09 -0.07 -0.04 1.21 1.06 3i92B1 ILE 196 HG23 0.02 0.01 -0.09 -0.04 0.93 0.82 3i92B1 ILE 196 HD13 0.09 -0.00 -0.00 -0.04 0.88 0.93 3i92B1 PRO 197 HA -0.00 0.07 0.53 -0.51 4.44 4.53 3i92B1 PRO 197 HB2 -0.02 -0.16 0.11 -0.04 2.28 2.17 3i92B1 PRO 197 HB3 -0.02 0.06 0.13 -0.04 2.02 2.15 3i92B1 PRO 197 HG2 -0.04 0.11 0.10 -0.04 2.03 2.15 3i92B1 PRO 197 HG3 -0.03 0.09 0.08 -0.04 2.03 2.13 3i92B1 PRO 197 HD2 -0.03 0.05 0.19 -0.04 3.68 3.85 3i92B1 PRO 197 HD3 -0.02 0.26 0.21 -0.04 3.65 4.07 3i92B1 LEU 198 H 0.00 0.19 0.21 -0.55 8.37 8.23 3i92B1 LEU 198 HA 0.01 0.11 0.34 -0.75 4.35 4.06 3i92B1 LEU 198 HB2 0.00 0.07 0.17 -0.04 1.64 1.85 3i92B1 LEU 198 HB3 0.00 -0.05 0.15 -0.04 1.64 1.70 3i92B1 LEU 198 HG 0.01 -0.02 -0.20 -0.04 1.64 1.39 3i92B1 LEU 198 HD13 0.00 0.00 0.01 -0.04 0.93 0.91 3i92B1 LEU 198 HD23 0.00 0.00 -0.00 -0.04 0.89 0.85 3i92B1 LYS 199 H 0.00 0.10 -0.19 -0.55 8.42 7.77 3i92B1 LYS 199 HA 0.03 -0.00 0.38 -0.75 4.32 3.97 3i92B1 LYS 199 HB2 -0.01 -0.09 0.09 -0.04 1.87 1.82 3i92B1 LYS 199 HB3 -0.02 0.25 -0.06 -0.04 1.79 1.93 3i92B1 LYS 199 HG2 0.01 0.14 -0.03 -0.04 1.46 1.54 3i92B1 LYS 199 HG3 0.01 -0.11 0.03 -0.04 1.46 1.35 3i92B1 LYS 199 HD2 -0.01 -0.05 0.01 -0.04 1.69 1.60 3i92B1 LYS 199 HD3 -0.02 0.11 -0.10 -0.04 1.68 1.62 3i92B1 LYS 199 HE2 0.00 -0.08 -0.00 -0.04 2.99 2.86 3i92B1 LYS 199 HE3 -0.01 0.03 -0.01 -0.04 2.99 2.96 3i92B1 GLN 200 H 0.00 0.17 -0.19 -0.55 8.47 7.91 3i92B1 GLN 200 HA 0.05 0.04 0.51 -0.75 4.36 4.20 3i92B1 GLN 200 HB2 -0.00 0.13 0.12 -0.04 2.15 2.35 3i92B1 GLN 200 HB3 0.01 -0.09 -0.01 -0.04 2.02 1.89 3i92B1 GLN 200 HG2 -0.14 -0.03 0.10 -0.04 2.40 2.28 3i92B1 GLN 200 HG3 -0.07 0.06 0.09 -0.04 2.39 2.43 3i92B1 GLN 200 HE21 -0.16 0.07 -0.02 -0.04 6.97 6.82 3i92B1 GLN 200 HE22 -0.17 0.02 -0.10 -0.04 7.69 7.40 3i92B1 ARG 201 H 0.04 0.54 -0.23 -0.55 8.46 8.26 3i92B1 ARG 201 HA 0.07 0.00 0.39 -0.75 4.34 4.05 3i92B1 ARG 201 HB2 0.03 0.11 0.10 -0.04 1.90 2.09 3i92B1 ARG 201 HB3 0.02 -0.06 -0.02 -0.04 1.80 1.71 3i92B1 ARG 201 HG2 0.04 -0.08 -0.12 -0.04 1.67 1.47 3i92B1 ARG 201 HG3 0.02 0.07 -0.40 -0.04 1.67 1.32 3i92B1 ARG 201 HD2 0.02 -0.02 -0.02 -0.04 3.22 3.16 3i92B1 ARG 201 HD3 0.02 0.21 -0.10 -0.04 3.22 3.31 3i92B1 ARG 202 H 0.06 0.67 -0.08 -0.55 8.46 8.54 3i92B1 ARG 202 HA 0.00 -0.02 0.30 -0.75 4.34 3.87 3i92B1 ARG 202 HB2 0.07 0.24 0.09 -0.04 1.90 2.25 3i92B1 ARG 202 HB3 0.02 -0.11 -0.02 -0.04 1.80 1.65 3i92B1 ARG 202 HG2 0.02 0.23 0.02 -0.04 1.67 1.91 3i92B1 ARG 202 HG3 0.03 -0.03 -0.05 -0.04 1.67 1.58 3i92B1 ARG 202 HD2 0.00 -0.04 -0.02 -0.04 3.22 3.12 3i92B1 ARG 202 HD3 -0.00 -0.05 -0.06 -0.04 3.22 3.07 3i92B1 TRP 203 H 0.24 0.46 -0.35 -0.55 7.97 7.77 3i92B1 TRP 203 HA -0.06 -0.03 0.40 -0.75 4.62 4.17 3i92B1 TRP 203 HB2 -0.03 0.20 -0.02 -0.04 3.23 3.34 3i92B1 TRP 203 HB3 -0.04 0.23 0.10 -0.04 3.23 3.48 3i92B1 TRP 203 HD1 -0.01 0.01 -0.07 -0.04 7.22 7.10 3i92B1 TRP 203 HE1 -0.03 -0.07 -0.04 -0.04 10.20 10.02 3i92B1 TRP 203 HE3 -0.06 0.15 -0.12 -0.04 7.59 7.52 3i92B1 TRP 203 HZ2 -0.02 -0.12 -0.08 -0.04 7.44 7.18 3i92B1 TRP 203 HZ3 -0.08 0.01 -0.08 -0.04 7.13 6.93 3i92B1 TRP 203 HH2 -0.02 -0.04 -0.12 -0.04 7.19 6.97 3i92B1 LEU 204 H 0.17 0.54 -0.20 -0.55 8.37 8.33 3i92B1 LEU 204 HA -0.26 -0.08 0.32 -0.75 4.35 3.58 3i92B1 LEU 204 HB2 0.06 0.21 0.13 -0.04 1.64 1.99 3i92B1 LEU 204 HB3 0.03 -0.06 -0.09 -0.04 1.64 1.47 3i92B1 LEU 204 HG 0.29 0.20 0.03 -0.04 1.64 2.12 3i92B1 LEU 204 HD13 0.11 0.00 -0.14 -0.04 0.93 0.86 3i92B1 LEU 204 HD23 0.12 -0.03 -0.02 -0.04 0.89 0.92 3i92B1 GLY 205 H -0.05 0.60 -0.14 -0.55 8.43 8.30 3i92B1 GLY 205 HA2 -0.07 -0.01 0.40 -0.51 4.01 3.82 3i92B1 GLY 205 HA3 -0.07 0.18 0.32 -0.51 4.01 3.92 3i92B1 LEU 206 H -0.19 0.51 -0.26 -0.55 8.37 7.88 3i92B1 LEU 206 HA -0.22 -0.02 0.37 -0.75 4.35 3.72 3i92B1 LEU 206 HB2 -0.38 0.22 0.13 -0.04 1.64 1.57 3i92B1 LEU 206 HB3 -0.41 -0.11 -0.02 -0.04 1.64 1.06 3i92B1 LEU 206 HG -0.23 0.14 0.07 -0.04 1.64 1.58 3i92B1 LEU 206 HD13 -0.30 -0.02 -0.09 -0.04 0.93 0.49 3i92B1 LEU 206 HD23 -0.57 -0.03 -0.09 -0.04 0.89 0.16 3i92B1 GLN 207 H -0.46 0.54 -0.23 -0.55 8.47 7.78 3i92B1 GLN 207 HA -0.30 -0.00 0.49 -0.75 4.36 3.79 3i92B1 GLN 207 HB2 -0.50 0.16 0.13 -0.04 2.15 1.89 3i92B1 GLN 207 HB3 -0.38 -0.17 -0.00 -0.04 2.02 1.43 3i92B1 GLN 207 HG2 -1.70 0.35 -0.03 -0.04 2.40 0.97 3i92B1 GLN 207 HG3 -2.00 -0.04 -0.09 -0.04 2.39 0.22 3i92B1 GLN 207 HE21 -0.10 -0.02 -0.08 -0.04 6.97 6.73 3i92B1 GLN 207 HE22 -0.25 -0.07 -0.01 -0.04 7.69 7.32 3i92B1 MET 208 H -0.17 0.82 0.01 -0.55 8.47 8.58 3i92B1 MET 208 HA -0.06 0.06 0.48 -0.75 4.52 4.25 3i92B1 MET 208 HB2 -0.07 0.12 0.13 -0.04 2.15 2.29 3i92B1 MET 208 HB3 -0.04 -0.04 -0.06 -0.04 2.03 1.85 3i92B1 MET 208 HG2 -0.03 -0.08 -0.10 -0.04 2.63 2.39 3i92B1 MET 208 HG3 -0.06 0.13 -0.11 -0.04 2.56 2.48 3i92B1 MET 208 HE3 0.00 -0.00 -0.15 -0.04 2.10 1.91 3i92B1 LEU 209 H -0.10 0.75 -0.15 -0.55 8.37 8.32 3i92B1 LEU 209 HA -0.04 0.02 0.39 -0.75 4.35 3.97 3i92B1 LEU 209 HB2 -0.10 0.08 0.08 -0.04 1.64 1.66 3i92B1 LEU 209 HB3 -0.05 -0.11 -0.07 -0.04 1.64 1.36 3i92B1 LEU 209 HG -0.07 0.13 -0.04 -0.04 1.64 1.62 3i92B1 LEU 209 HD13 -0.08 -0.06 -0.22 -0.04 0.93 0.54 3i92B1 LEU 209 HD23 -0.03 -0.02 -0.13 -0.04 0.89 0.67 3i92B1 GLU 210 H -0.09 0.38 -0.31 -0.55 8.60 8.03 3i92B1 GLU 210 HA -0.01 -0.06 0.52 -0.75 4.29 3.99 3i92B1 GLU 210 HB2 -0.06 0.10 0.12 -0.04 2.09 2.22 3i92B1 GLU 210 HB3 -0.05 -0.01 0.10 -0.04 1.99 1.98 3i92B1 GLU 210 HG2 0.01 0.02 0.02 -0.04 2.34 2.35 3i92B1 GLU 210 HG3 0.03 -0.07 0.09 -0.04 2.34 2.36 3i92B1 GLY 211 H -0.05 0.40 -0.03 -0.55 8.43 8.21 3i92B1 GLY 211 HA2 -0.02 0.08 0.18 -0.51 4.01 3.74 3i92B1 GLY 211 HA3 -0.01 0.13 0.84 -0.51 4.01 4.46 3i92B1 ASP 212 H -0.05 0.61 0.20 -0.55 8.40 8.61 3i92B1 ASP 212 HA 0.05 0.28 0.68 -0.75 4.63 4.89 3i92B1 ASP 212 HB2 -0.06 0.04 0.00 -0.04 2.71 2.65 3i92B1 ASP 212 HB3 -0.08 -0.02 -0.11 -0.04 2.70 2.45 3i92B1 ILE 213 H 0.10 0.26 0.25 -0.55 8.25 8.31 3i92B1 ILE 213 HA -0.05 0.17 0.35 -0.75 4.18 3.89 3i92B1 ILE 213 HB -0.44 -0.06 0.06 -0.04 1.89 1.40 3i92B1 ILE 213 HG12 -0.07 -0.02 0.00 -0.04 1.49 1.36 3i92B1 ILE 213 HG13 -0.02 0.16 0.03 -0.04 1.21 1.33 3i92B1 ILE 213 HG23 -0.19 0.00 -0.00 -0.04 0.93 0.70 3i92B1 ILE 213 HD13 0.13 0.01 0.05 -0.04 0.88 1.02 3i92B1 TYR 214 H 0.29 0.06 -0.00 -0.55 8.29 8.10 3i92B1 TYR 214 HA 0.05 0.14 0.30 -0.75 4.56 4.28 3i92B1 TYR 214 HB2 0.09 0.01 0.09 -0.04 3.06 3.22 3i92B1 TYR 214 HB3 0.12 0.07 0.04 -0.04 2.98 3.17 3i92B1 TYR 214 HD2 0.04 0.01 0.08 -0.04 7.15 7.24 3i92B1 TYR 214 HE2 0.02 0.04 0.03 -0.04 6.85 6.90 3i92B1 SER 215 H 0.15 0.08 -0.26 -0.55 8.46 7.88 3i92B1 SER 215 HA 0.32 0.10 0.41 -0.75 4.49 4.56 3i92B1 SER 215 HB2 0.01 0.07 -0.02 -0.04 3.95 3.96 3i92B1 SER 215 HB3 0.01 0.02 0.01 -0.04 3.93 3.94 3i92B1 ARG 216 H 0.04 0.25 -0.47 -0.55 8.46 7.73 3i92B1 ARG 216 HA 0.03 0.04 0.40 -0.75 4.34 4.06 3i92B1 ARG 216 HB2 -0.02 0.16 0.07 -0.04 1.90 2.06 3i92B1 ARG 216 HB3 -0.01 -0.03 -0.00 -0.04 1.80 1.71 3i92B1 ARG 216 HG2 -0.01 -0.04 0.03 -0.04 1.67 1.62 3i92B1 ARG 216 HG3 -0.02 0.11 0.07 -0.04 1.67 1.79 3i92B1 ARG 216 HD2 -0.04 -0.01 0.03 -0.04 3.22 3.16 3i92B1 ARG 216 HD3 -0.02 -0.01 0.02 -0.04 3.22 3.17 3i92B1 ALA 217 H 0.04 0.35 -0.35 -0.55 8.40 7.89 3i92B1 ALA 217 HA -0.06 0.03 0.36 -0.75 4.34 3.91 3i92B1 ALA 217 HB3 -0.14 0.02 0.10 -0.04 1.41 1.35 3i92B1 TYR 218 H 0.21 0.20 -0.18 -0.55 8.29 7.97 3i92B1 TYR 218 HA 0.03 0.11 0.65 -0.75 4.56 4.59 3i92B1 TYR 218 HB2 0.06 0.05 0.03 -0.04 3.06 3.17 3i92B1 TYR 218 HB3 0.04 0.03 0.07 -0.04 2.98 3.08 3i92B1 TYR 218 HD2 0.05 0.02 0.01 -0.04 7.15 7.18 3i92B1 TYR 218 HE2 -0.01 -0.01 -0.07 -0.04 6.85 6.72 3i92B1 ALA 219 H 0.10 0.21 -0.49 -0.55 8.40 7.68 3i92B1 ALA 219 HA 0.08 0.05 0.26 -0.75 4.34 3.97 3i92B1 ALA 219 HB3 0.04 0.03 0.00 -0.04 1.41 1.44 3i92B1 GLY 220 H 0.03 0.25 -0.30 -0.55 8.43 7.87 3i92B1 GLY 220 HA2 0.02 0.05 0.27 -0.51 4.01 3.84 3i92B1 GLY 220 HA3 0.03 0.06 0.43 -0.51 4.01 4.03 3i92B1 GLU 221 H 0.03 0.19 0.24 -0.55 8.60 8.52 3i92B1 GLU 221 HA 0.06 -0.01 0.50 -0.75 4.29 4.08 3i92B1 GLU 221 HB2 0.04 0.17 0.21 -0.04 2.09 2.47 3i92B1 GLU 221 HB3 0.13 -0.01 0.04 -0.04 1.99 2.10 3i92B1 GLU 221 HG2 0.07 -0.04 0.09 -0.04 2.34 2.41 3i92B1 GLU 221 HG3 0.04 -0.04 0.08 -0.04 2.34 2.38 3i92B1 ALA 222 H 0.05 0.47 -0.07 -0.55 8.40 8.29 3i92B1 ALA 222 HA 0.11 -0.05 0.31 -0.75 4.34 3.95 3i92B1 ALA 222 HB3 0.01 0.06 -0.04 -0.04 1.41 1.40 3i92B1 SER 223 H 0.05 0.41 -0.62 -0.55 8.46 7.76 3i92B1 SER 223 HA 0.02 -0.02 0.38 -0.75 4.49 4.12 3i92B1 SER 223 HB2 0.01 0.10 0.06 -0.04 3.95 4.09 3i92B1 SER 223 HB3 0.01 0.10 0.04 -0.04 3.93 4.04 3i92B1 GLN 224 H 0.05 0.59 -0.13 -0.55 8.47 8.43 3i92B1 GLN 224 HA -0.07 0.01 0.45 -0.75 4.36 3.99 3i92B1 GLN 224 HB2 -0.30 0.13 0.10 -0.04 2.15 2.04 3i92B1 GLN 224 HB3 -0.27 -0.08 0.05 -0.04 2.02 1.68 3i92B1 GLN 224 HG2 -0.06 -0.06 0.06 -0.04 2.40 2.30 3i92B1 GLN 224 HG3 -0.02 0.07 0.13 -0.04 2.39 2.53 3i92B1 GLN 224 HE21 -0.02 -0.02 0.02 -0.04 6.97 6.92 3i92B1 GLN 224 HE22 -0.03 -0.02 0.02 -0.04 7.69 7.62 3i92B1 HIS 225 H 0.18 0.50 -0.29 -0.55 8.41 8.25 3i92B1 HIS 225 HA -0.01 0.05 0.50 -0.75 4.63 4.41 3i92B1 HIS 225 HB2 -0.01 0.15 0.05 -0.04 3.26 3.41 3i92B1 HIS 225 HB3 -0.01 -0.09 0.13 -0.04 3.20 3.19 3i92B1 HIS 225 HD2 -0.01 -0.04 -0.02 -0.04 6.97 6.86 3i92B1 HIS 225 HE1 -0.00 -0.00 -0.06 -0.04 7.75 7.64 3i92B1 LEU 226 H 0.03 0.42 -0.43 -0.55 8.37 7.83 3i92B1 LEU 226 HA 0.02 0.06 0.42 -0.75 4.35 4.09 3i92B1 LEU 226 HB2 0.01 0.10 0.09 -0.04 1.64 1.79 3i92B1 LEU 226 HB3 -0.01 0.03 0.07 -0.04 1.64 1.69 3i92B1 LEU 226 HG -0.01 -0.06 -0.18 -0.04 1.64 1.35 3i92B1 LEU 226 HD13 -0.02 0.04 -0.18 -0.04 0.93 0.73 3i92B1 LEU 226 HD23 -0.02 0.02 -0.03 -0.04 0.89 0.82 3i92B1 ASP 227 H -0.01 0.27 -0.12 -0.55 8.40 7.99 3i92B1 ASP 227 HA -0.01 0.09 0.36 -0.75 4.63 4.31 3i92B1 ASP 227 HB2 -0.02 0.08 0.12 -0.04 2.71 2.84 3i92B1 ASP 227 HB3 -0.02 0.02 -0.05 -0.04 2.70 2.62 3i92B1 ALA 228 H 0.01 0.15 -0.28 -0.55 8.40 7.73 3i92B1 ALA 228 HA 0.00 0.07 0.46 -0.75 4.34 4.11 3i92B1 ALA 228 HB3 0.03 0.05 0.07 -0.04 1.41 1.51 3i92B1 ALA 229 H 0.03 0.51 -0.09 -0.55 8.40 8.30 3i92B1 ALA 229 HA 0.00 0.01 0.45 -0.75 4.34 4.05 3i92B1 ALA 229 HB3 0.00 0.03 0.08 -0.04 1.41 1.49 3i92B1 LEU 230 H -0.00 0.64 -0.14 -0.55 8.37 8.33 3i92B1 LEU 230 HA -0.01 0.01 0.52 -0.75 4.35 4.13 3i92B1 LEU 230 HB2 -0.01 0.07 0.11 -0.04 1.64 1.78 3i92B1 LEU 230 HB3 -0.00 -0.06 0.02 -0.04 1.64 1.55 3i92B1 LEU 230 HG -0.01 0.05 0.03 -0.04 1.64 1.67 3i92B1 LEU 230 HD13 -0.01 -0.00 -0.07 -0.04 0.93 0.80 3i92B1 LEU 230 HD23 -0.01 -0.01 0.06 -0.04 0.89 0.89 3i92B1 ALA 231 H -0.00 0.42 -0.30 -0.55 8.40 7.97 3i92B1 ALA 231 HA -0.00 0.03 0.56 -0.75 4.34 4.17 3i92B1 ALA 231 HB3 -0.00 0.01 0.13 -0.04 1.41 1.51 3i92B1 ARG 232 H 0.00 0.48 -0.13 -0.55 8.46 8.26 3i92B1 ARG 232 HA 0.00 0.06 0.62 -0.75 4.34 4.27 3i92B1 ARG 232 HB2 -0.00 0.10 0.18 -0.04 1.90 2.13 3i92B1 ARG 232 HB3 -0.00 -0.06 -0.01 -0.04 1.80 1.70 3i92B1 ARG 232 HG2 0.00 -0.04 0.03 -0.04 1.67 1.61 3i92B1 ARG 232 HG3 0.00 0.20 0.06 -0.04 1.67 1.90 3i92B1 ARG 232 HD2 -0.00 -0.03 -0.02 -0.04 3.22 3.13 3i92B1 ARG 232 HD3 0.00 -0.03 -0.03 -0.04 3.22 3.13 3i92B1 LEU 233 H -0.00 0.55 -0.01 -0.55 8.37 8.35 3i92B1 LEU 233 HA -0.01 -0.05 0.32 -0.75 4.35 3.87 3i92B1 LEU 233 HB2 -0.00 0.15 0.14 -0.04 1.64 1.89 3i92B1 LEU 233 HB3 0.01 -0.03 -0.08 -0.04 1.64 1.49 3i92B1 LEU 233 HG -0.01 0.09 0.04 -0.04 1.64 1.72 3i92B1 LEU 233 HD13 -0.01 -0.01 -0.06 -0.04 0.93 0.80 3i92B1 LEU 233 HD23 -0.01 -0.03 -0.20 -0.04 0.89 0.61 3i92B1 ARG 234 H 0.00 0.25 -0.67 -0.55 8.46 7.49 3i92B1 ARG 234 HA 0.01 0.06 0.37 -0.75 4.34 4.04 3i92B1 ARG 234 HB2 0.01 0.09 0.15 -0.04 1.90 2.10 3i92B1 ARG 234 HB3 0.00 0.18 0.08 -0.04 1.80 2.02 3i92B1 ARG 234 HG2 0.01 -0.00 -0.18 -0.04 1.67 1.45 3i92B1 ARG 234 HG3 0.01 -0.09 0.09 -0.04 1.67 1.64 3i92B1 ARG 234 HD2 0.00 -0.02 0.04 -0.04 3.22 3.21 3i92B1 ARG 234 HD3 0.00 0.05 0.03 -0.04 3.22 3.27 3i92B1 ASN 235 H 0.00 0.39 -0.12 -0.55 8.53 8.25 3i92B1 ASN 235 HA 0.01 0.03 0.52 -0.75 4.76 4.57 3i92B1 ASN 235 HB2 0.00 0.04 0.05 -0.04 2.88 2.93 3i92B1 ASN 235 HB3 0.00 -0.06 0.08 -0.04 2.79 2.77 3i92B1 ASN 235 HD21 0.00 -0.01 0.08 -0.04 7.03 7.05 3i92B1 ASN 235 HD22 0.00 -0.02 0.11 -0.04 7.74 7.78 3i92B1 GLU 236 H 0.00 0.27 -0.29 -0.55 8.60 8.04 3i92B1 GLU 236 HA -0.00 0.06 0.41 -0.75 4.29 3.99 3i92B1 GLU 236 HB2 -0.01 0.04 0.05 -0.04 2.09 2.12 3i92B1 GLU 236 HB3 -0.01 -0.10 0.06 -0.04 1.99 1.90 3i92B1 GLU 236 HG2 -0.01 -0.02 -0.05 -0.04 2.34 2.22 3i92B1 GLU 236 HG3 -0.00 0.09 -0.04 -0.04 2.34 2.35 3i92B1 MET 237 H 0.01 0.64 -0.08 -0.55 8.47 8.49 3i92B1 MET 237 HA 0.01 0.02 0.36 -0.75 4.52 4.15 3i92B1 MET 237 HB2 -0.08 -0.01 -0.00 -0.04 2.15 2.02 3i92B1 MET 237 HB3 -0.07 0.08 -0.05 -0.04 2.03 1.95 3i92B1 MET 237 HG2 -0.02 -0.03 -0.17 -0.04 2.63 2.37 3i92B1 MET 237 HG3 0.04 0.01 -0.30 -0.04 2.56 2.26 3i92B1 MET 237 HE3 -0.17 -0.02 -0.05 -0.04 2.10 1.81 3i92B1 ASP 238 H 0.08 0.10 0.08 -0.55 8.40 8.11 3i92B1 ASP 238 HA 0.05 0.11 0.62 -0.75 4.63 4.66 3i92B1 ASP 238 HB2 0.04 -0.01 0.05 -0.04 2.71 2.75 3i92B1 ASP 238 HB3 0.05 0.04 0.11 -0.04 2.70 2.85 3i92B1 ASP 239 H 0.04 0.20 0.19 -0.55 8.40 8.29 3i92B1 ASP 239 HA 0.03 0.05 0.41 -0.75 4.63 4.37 3i92B1 ASP 239 HB2 0.00 0.01 -0.15 -0.04 2.71 2.54 3i92B1 ASP 239 HB3 -0.03 0.11 -0.04 -0.04 2.70 2.70 3i92B1 PRO 240 HA 0.16 0.05 0.47 -0.51 4.44 4.61 3i92B1 PRO 240 HB2 0.03 0.11 -0.07 -0.04 2.28 2.30 3i92B1 PRO 240 HB3 0.04 0.03 0.00 -0.04 2.02 2.05 3i92B1 PRO 240 HG2 0.02 0.09 0.12 -0.04 2.03 2.22 3i92B1 PRO 240 HG3 0.02 0.10 0.02 -0.04 2.03 2.13 3i92B1 PRO 240 HD2 0.03 0.06 0.23 -0.04 3.68 3.96 3i92B1 PRO 240 HD3 0.05 0.30 0.01 -0.04 3.65 3.96 3i92B1 ALA 241 H 0.03 0.19 -0.03 -0.55 8.40 8.04 3i92B1 ALA 241 HA 0.02 0.08 0.45 -0.75 4.34 4.13 3i92B1 ALA 241 HB3 0.01 0.05 0.16 -0.04 1.41 1.59 3i92B1 LEU 242 H 0.01 0.22 -0.59 -0.55 8.37 7.47 3i92B1 LEU 242 HA -0.00 0.14 0.88 -0.75 4.35 4.61 3i92B1 LEU 242 HB2 -0.04 -0.01 0.00 -0.04 1.64 1.54 3i92B1 LEU 242 HB3 -0.11 0.18 0.06 -0.04 1.64 1.72 3i92B1 LEU 242 HG -0.13 -0.01 -0.09 -0.04 1.64 1.37 3i92B1 LEU 242 HD13 -0.04 -0.02 0.07 -0.04 0.93 0.90 3i92B1 LEU 242 HD23 -0.07 0.01 -0.01 -0.04 0.89 0.77 3i92B1 HIS 243 H 0.07 0.38 0.09 -0.55 8.41 8.41 3i92B1 HIS 243 HA 0.05 0.04 0.61 -0.75 4.63 4.58 3i92B1 HIS 243 HB2 0.04 0.10 0.21 -0.04 3.26 3.57 3i92B1 HIS 243 HB3 0.06 -0.09 0.04 -0.04 3.20 3.17 3i92B1 HIS 243 HD2 0.02 0.18 -0.15 -0.04 6.97 6.98 3i92B1 HIS 243 HE1 0.02 -0.02 0.03 -0.04 7.75 7.75 3i92B1 ILE 244 H 0.14 0.50 -0.14 -0.55 8.25 8.20 3i92B1 ILE 244 HA 0.31 0.03 0.48 -0.75 4.18 4.24 3i92B1 ILE 244 HB 0.09 0.08 0.05 -0.04 1.89 2.07 3i92B1 ILE 244 HG12 0.07 -0.07 -0.02 -0.04 1.49 1.43 3i92B1 ILE 244 HG13 0.09 0.11 -0.00 -0.04 1.21 1.36 3i92B1 ILE 244 HG23 0.15 0.00 -0.17 -0.04 0.93 0.87 3i92B1 ILE 244 HD13 -0.06 0.02 -0.11 -0.04 0.88 0.70 3i92B1 ALA 245 H 0.10 0.25 -0.26 -0.55 8.40 7.95 3i92B1 ALA 245 HA 0.17 0.03 0.33 -0.75 4.34 4.11 3i92B1 ALA 245 HB3 0.06 0.04 0.11 -0.04 1.41 1.59 3i92B1 ASP 246 H 0.07 0.51 -0.23 -0.55 8.40 8.21 3i92B1 ASP 246 HA 0.09 0.03 0.50 -0.75 4.63 4.49 3i92B1 ASP 246 HB2 0.06 0.07 0.21 -0.04 2.71 3.00 3i92B1 ASP 246 HB3 0.07 -0.03 0.01 -0.04 2.70 2.71 3i92B1 ALA 247 H 0.11 0.56 -0.09 -0.55 8.40 8.43 3i92B1 ALA 247 HA 0.04 -0.01 0.40 -0.75 4.34 4.03 3i92B1 ALA 247 HB3 -0.05 0.02 0.06 -0.04 1.41 1.40 3i92B1 ARG 248 H 0.11 0.51 -0.28 -0.55 8.46 8.24 3i92B1 ARG 248 HA 0.01 0.02 0.52 -0.75 4.34 4.14 3i92B1 ARG 248 HB2 0.21 0.13 0.11 -0.04 1.90 2.31 3i92B1 ARG 248 HB3 0.25 -0.03 -0.05 -0.04 1.80 1.93 3i92B1 ARG 248 HG2 0.01 -0.02 0.01 -0.04 1.67 1.62 3i92B1 ARG 248 HG3 0.12 -0.02 -0.02 -0.04 1.67 1.71 3i92B1 ARG 248 HD2 0.21 0.01 -0.09 -0.04 3.22 3.31 3i92B1 ARG 248 HD3 -0.10 -0.04 -0.04 -0.04 3.22 3.00 3i92B1 TYR 249 H 0.23 0.42 -0.18 -0.55 8.29 8.21 3i92B1 TYR 249 HA 0.08 -0.01 0.50 -0.75 4.56 4.38 3i92B1 TYR 249 HB2 0.06 0.02 0.15 -0.04 3.06 3.24 3i92B1 TYR 249 HB3 0.04 0.14 0.25 -0.04 2.98 3.37 3i92B1 TYR 249 HD2 0.03 0.02 -0.07 -0.04 7.15 7.09 3i92B1 TYR 249 HE2 0.01 -0.00 -0.04 -0.04 6.85 6.78 3i92B1 GLN 250 H 0.16 0.72 0.08 -0.55 8.47 8.88 3i92B1 GLN 250 HA 0.01 -0.02 0.40 -0.75 4.36 3.99 3i92B1 GLN 250 HB2 0.09 -0.00 0.09 -0.04 2.15 2.29 3i92B1 GLN 250 HB3 0.03 0.12 0.14 -0.04 2.02 2.27 3i92B1 GLN 250 HG2 -0.00 -0.01 -0.08 -0.04 2.40 2.26 3i92B1 GLN 250 HG3 0.04 -0.03 0.03 -0.04 2.39 2.39 3i92B1 GLN 250 HE21 0.02 0.00 0.00 -0.04 6.97 6.96 3i92B1 GLN 250 HE22 0.02 -0.02 0.00 -0.04 7.69 7.65 3i92B1 CYS 251 H -0.02 0.42 -0.38 -0.55 8.50 7.97 3i92B1 CYS 251 HA -0.04 0.04 0.38 -0.75 4.58 4.21 3i92B1 CYS 251 HB2 -0.06 -0.02 0.13 -0.04 2.97 2.98 3i92B1 CYS 251 HB3 -0.03 0.11 0.13 -0.04 2.97 3.15 3i92B1 ILE 252 H -0.07 0.47 -0.05 -0.55 8.25 8.05 3i92B1 ILE 252 HA -0.04 0.03 0.36 -0.75 4.18 3.77 3i92B1 ILE 252 HB -0.07 0.07 0.16 -0.04 1.89 2.01 3i92B1 ILE 252 HG12 0.01 -0.04 -0.06 -0.04 1.49 1.36 3i92B1 ILE 252 HG13 0.01 0.16 0.07 -0.04 1.21 1.41 3i92B1 ILE 252 HG23 -0.01 0.01 -0.08 -0.04 0.93 0.81 3i92B1 ILE 252 HD13 0.14 -0.01 -0.12 -0.04 0.88 0.84 3i92B1 ALA 253 H -0.33 0.70 -0.04 -0.55 8.40 8.19 3i92B1 ALA 253 HA -0.19 -0.05 0.40 -0.75 4.34 3.74 3i92B1 ALA 253 HB3 -0.40 0.02 0.07 -0.04 1.41 1.06 3i92B1 ALA 254 H -0.10 0.55 -0.20 -0.55 8.40 8.10 3i92B1 ALA 254 HA -0.04 -0.02 0.38 -0.75 4.34 3.91 3i92B1 ALA 254 HB3 -0.04 0.06 0.13 -0.04 1.41 1.51 3i92B1 ILE 255 H -0.05 0.49 -0.10 -0.55 8.25 8.04 3i92B1 ILE 255 HA -0.02 0.03 0.37 -0.75 4.18 3.80 3i92B1 ILE 255 HB -0.03 0.07 0.12 -0.04 1.89 2.02 3i92B1 ILE 255 HG12 -0.03 0.34 0.10 -0.04 1.49 1.85 3i92B1 ILE 255 HG13 -0.02 -0.03 -0.03 -0.04 1.21 1.09 3i92B1 ILE 255 HG23 -0.01 -0.03 -0.05 -0.04 0.93 0.80 3i92B1 ILE 255 HD13 -0.02 -0.02 -0.00 -0.04 0.88 0.80 3i92B1 CYS 256 H -0.04 0.59 -0.18 -0.55 8.50 8.31 3i92B1 CYS 256 HA -0.01 -0.11 0.48 -0.75 4.58 4.19 3i92B1 CYS 256 HB2 -0.04 0.15 0.13 -0.04 2.97 3.17 3i92B1 CYS 256 HB3 -0.01 -0.08 0.03 -0.04 2.97 2.87 3i92B1 ASP 257 H -0.03 0.63 -0.05 -0.55 8.40 8.40 3i92B1 ASP 257 HA -0.01 0.02 0.44 -0.75 4.63 4.33 3i92B1 ASP 257 HB2 -0.02 0.14 0.17 -0.04 2.71 2.96 3i92B1 ASP 257 HB3 -0.01 -0.06 0.01 -0.04 2.70 2.60 3i92B1 VAL 258 H -0.02 0.29 -0.31 -0.55 8.24 7.65 3i92B1 VAL 258 HA -0.01 0.08 0.58 -0.75 4.13 4.02 3i92B1 VAL 258 HB -0.01 0.08 0.13 -0.04 2.12 2.27 3i92B1 VAL 258 HG13 -0.01 -0.03 -0.10 -0.04 0.97 0.79 3i92B1 VAL 258 HG23 -0.01 0.03 0.01 -0.04 0.95 0.94 3i92B1 VAL 259 H -0.01 0.45 0.09 -0.55 8.24 8.22 3i92B1 VAL 259 HA -0.00 -0.00 0.50 -0.75 4.13 3.87 3i92B1 VAL 259 HB -0.01 0.04 0.12 -0.04 2.12 2.23 3i92B1 VAL 259 HG13 -0.00 -0.03 -0.14 -0.04 0.97 0.76 3i92B1 VAL 259 HG23 -0.01 0.00 -0.08 -0.04 0.95 0.82 3i92B1 SER 260 H -0.00 0.29 0.13 -0.55 8.46 8.34 3i92B1 SER 260 HA 0.00 0.02 0.63 -0.75 4.49 4.39 3i92B1 SER 260 HB2 0.00 -0.17 0.14 -0.04 3.95 3.88 3i92B1 SER 260 HB3 -0.00 0.22 0.06 -0.04 3.93 4.17 3i92B1 ASN 261 H 0.00 -0.01 0.13 -0.55 8.53 8.11 3i92B1 ASN 261 HA 0.00 0.11 0.10 -0.75 4.76 4.22 3i92B1 ASN 261 HB2 0.00 -0.19 0.29 -0.04 2.88 2.94 3i92B1 ASN 261 HB3 0.00 0.01 0.18 -0.04 2.79 2.95 3i92B1 ASN 261 HD21 0.00 -0.04 0.12 -0.04 7.03 7.08 3i92B1 ASN 261 HD22 0.00 0.04 0.17 -0.04 7.74 7.92