============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 5 0.840 37.197 58.998 18.882 -99.200 -91.000 TYR 14 0.840 26.034 59.081 26.072 -99.200 -91.000 TYR 22 0.840 31.954 37.908 33.246 -99.200 -91.000 HIS 23 0.900 32.211 45.734 29.352 -99.200 -91.000 PHE 24 1.000 26.798 41.434 31.350 -99.200 -91.000 TRP 34 1.040 13.835 53.302 35.189 -99.200 -91.000 TRP6 34 1.020 13.089 51.090 34.923 -99.200 -91.000 HIS 40 0.900 23.090 41.043 21.971 -99.200 -91.000 TYR 42 0.840 18.170 37.632 31.719 -99.200 -91.000 PHE 64 1.000 32.310 49.817 40.690 -99.200 -91.000 HIS 73 0.900 9.744 45.124 22.875 -99.200 -91.000 TYR 76 0.840 15.905 39.233 22.567 -99.200 -91.000 TRP 121 1.040 35.255 50.138 28.684 -99.200 -91.000 TRP6 121 1.020 33.234 51.127 29.393 -99.200 -91.000 TYR 131 0.840 37.223 41.365 24.235 -99.200 -91.000 TYR 152 0.840 24.298 42.483 7.876 -99.200 -91.000 PHE 161 1.000 20.329 52.759 13.699 -99.200 -91.000 TYR 165 0.840 32.817 54.700 8.427 -99.200 -91.000 TRP 193 1.040 21.633 41.930 14.130 -99.200 -91.000 TRP6 193 1.020 21.973 41.128 11.933 -99.200 -91.000 TYR 206 0.840 25.000 49.919 15.315 -99.200 -91.000 TYR 212 0.840 12.034 48.895 20.107 -99.200 -91.000 TRP 215 1.040 8.391 48.258 26.394 -99.200 -91.000 TRP6 215 1.020 10.730 48.007 26.606 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2j9nA1 ILE 16 HA 0.01 -0.07 0.16 -0.75 4.18 3.52 2j9nA1 ILE 16 HB -0.07 -0.04 -0.12 -0.04 1.89 1.62 2j9nA1 ILE 16 HG12 -0.06 -0.07 -0.20 -0.04 1.49 1.12 2j9nA1 ILE 16 HG13 -0.13 0.05 -0.33 -0.04 1.21 0.76 2j9nA1 ILE 16 HG23 -0.03 -0.02 -0.46 -0.04 0.93 0.37 2j9nA1 ILE 16 HD13 -0.01 -0.03 -0.33 -0.04 0.88 0.47 2j9nA1 VAL 17 H 0.02 0.59 0.09 -0.55 8.24 8.39 2j9nA1 VAL 17 HA -0.01 0.22 0.70 -0.75 4.13 4.28 2j9nA1 VAL 17 HB 0.02 -0.15 -0.12 -0.04 2.12 1.84 2j9nA1 VAL 17 HG13 0.00 0.06 -0.24 -0.04 0.97 0.75 2j9nA1 VAL 17 HG23 -0.00 -0.01 -0.65 -0.04 0.95 0.25 2j9nA1 GLY 18 H -0.00 0.20 0.17 -0.55 8.43 8.25 2j9nA1 GLY 18 HA2 -0.00 -0.01 0.40 -0.51 4.01 3.88 2j9nA1 GLY 18 HA3 -0.01 0.22 0.53 -0.51 4.01 4.24 2j9nA1 GLY 19 H 0.01 0.06 -0.33 -0.55 8.43 7.62 2j9nA1 GLY 19 HA2 0.12 0.10 0.81 -0.51 4.01 4.53 2j9nA1 GLY 19 HA3 -0.00 0.13 0.30 -0.51 4.01 3.93 2j9nA1 TYR 20 H -0.17 0.58 0.35 -0.55 8.29 8.50 2j9nA1 TYR 20 HA -0.03 0.14 0.84 -0.75 4.56 4.76 2j9nA1 TYR 20 HB2 -0.02 0.02 0.02 -0.04 3.06 3.03 2j9nA1 TYR 20 HB3 -0.02 0.06 -0.16 -0.04 2.98 2.81 2j9nA1 TYR 20 HD2 -0.02 0.11 -0.18 -0.04 7.15 7.02 2j9nA1 TYR 20 HE2 -0.01 -0.03 -0.18 -0.04 6.85 6.59 2j9nA1 THR 21 H 0.08 0.14 0.12 -0.55 8.28 8.07 2j9nA1 THR 21 HA -0.10 0.19 0.64 -0.75 4.39 4.36 2j9nA1 THR 21 HB 0.04 0.01 0.13 -0.04 4.32 4.46 2j9nA1 THR 21 HG23 -0.01 -0.02 -0.12 -0.04 1.22 1.03 2j9nA1 CYS 22 H -0.21 0.51 0.26 -0.55 8.50 8.51 2j9nA1 CYS 22 HA -0.16 0.03 0.19 -0.75 4.58 3.89 2j9nA1 CYS 22 HB2 -0.16 -0.03 -0.02 -0.04 2.97 2.72 2j9nA1 CYS 22 HB3 -0.13 -0.01 -0.10 -0.04 2.97 2.68 2j9nA1 GLY 23 H -0.04 -0.01 -0.27 -0.55 8.43 7.57 2j9nA1 GLY 23 HA2 0.01 -0.05 0.32 -0.51 4.01 3.78 2j9nA1 GLY 23 HA3 0.01 0.27 0.71 -0.51 4.01 4.49 2j9nA1 ALA 24 H 0.01 0.12 0.09 -0.55 8.40 8.07 2j9nA1 ALA 24 HA 0.02 -0.06 0.35 -0.75 4.34 3.90 2j9nA1 ALA 24 HB3 0.02 0.02 0.07 -0.04 1.41 1.48 2j9nA1 ASN 25 H 0.01 0.14 0.13 -0.55 8.53 8.26 2j9nA1 ASN 25 HA -0.01 0.07 0.22 -0.75 4.76 4.29 2j9nA1 ASN 25 HB2 0.01 0.13 -0.13 -0.04 2.88 2.85 2j9nA1 ASN 25 HB3 0.01 0.03 0.17 -0.04 2.79 2.96 2j9nA1 ASN 25 HD21 0.05 0.21 -0.28 -0.04 7.03 6.97 2j9nA1 ASN 25 HD22 0.04 0.09 -0.11 -0.04 7.74 7.72 2j9nA1 THR 26 H -0.04 0.36 -0.44 -0.55 8.28 7.62 2j9nA1 THR 26 HA -0.01 0.14 0.52 -0.75 4.39 4.29 2j9nA1 THR 26 HB 0.00 -0.05 0.03 -0.04 4.32 4.27 2j9nA1 THR 26 HG23 0.01 0.02 -0.20 -0.04 1.22 1.01 2j9nA1 VAL 27 H -0.12 0.03 -0.38 -0.55 8.24 7.23 2j9nA1 VAL 27 HA -0.28 0.20 0.72 -0.75 4.13 4.02 2j9nA1 VAL 27 HB -0.30 -0.02 0.15 -0.04 2.12 1.90 2j9nA1 VAL 27 HG13 -0.63 -0.03 0.01 -0.04 0.97 0.28 2j9nA1 VAL 27 HG23 -0.16 0.02 -0.20 -0.04 0.95 0.57 2j9nA1 PRO 28 HA -0.06 0.16 0.23 -0.51 4.44 4.26 2j9nA1 PRO 28 HB2 0.04 -0.15 -0.29 -0.04 2.28 1.85 2j9nA1 PRO 28 HB3 0.01 0.22 -0.03 -0.04 2.02 2.17 2j9nA1 PRO 28 HG2 0.13 -0.01 -0.11 -0.04 2.03 2.00 2j9nA1 PRO 28 HG3 0.05 0.13 -0.04 -0.04 2.03 2.14 2j9nA1 PRO 28 HD2 0.00 0.06 -0.01 -0.04 3.68 3.69 2j9nA1 PRO 28 HD3 -0.03 0.24 -0.42 -0.04 3.65 3.40 2j9nA1 TYR 29 H -0.55 0.02 -0.41 -0.55 8.29 6.81 2j9nA1 TYR 29 HA 0.05 0.28 0.84 -0.75 4.56 4.97 2j9nA1 TYR 29 HB2 0.04 -0.10 0.18 -0.04 3.06 3.13 2j9nA1 TYR 29 HB3 0.03 0.13 -0.14 -0.04 2.98 2.96 2j9nA1 TYR 29 HD2 0.02 0.02 -0.19 -0.04 7.15 6.96 2j9nA1 TYR 29 HE2 0.00 0.02 -0.06 -0.04 6.85 6.78 2j9nA1 GLN 30 H -0.39 0.41 -0.07 -0.55 8.47 7.87 2j9nA1 GLN 30 HA 0.05 0.15 0.73 -0.75 4.36 4.53 2j9nA1 GLN 30 HB2 -0.27 -0.07 0.14 -0.04 2.15 1.92 2j9nA1 GLN 30 HB3 -0.16 0.13 0.21 -0.04 2.02 2.16 2j9nA1 GLN 30 HG2 -0.44 -0.06 -0.07 -0.04 2.40 1.78 2j9nA1 GLN 30 HG3 0.21 0.01 -0.32 -0.04 2.39 2.25 2j9nA1 GLN 30 HE21 0.11 -0.03 0.21 -0.04 6.97 7.21 2j9nA1 GLN 30 HE22 0.32 0.31 0.21 -0.04 7.69 8.49 2j9nA1 VAL 31 H 0.15 0.57 0.40 -0.55 8.24 8.80 2j9nA1 VAL 31 HA 0.17 0.00 1.00 -0.75 4.13 4.54 2j9nA1 VAL 31 HB 0.06 0.00 -0.09 -0.04 2.12 2.05 2j9nA1 VAL 31 HG13 0.10 0.01 -0.33 -0.04 0.97 0.70 2j9nA1 VAL 31 HG23 0.03 -0.01 -0.41 -0.04 0.95 0.52 2j9nA1 SER 32 H 0.02 0.62 0.34 -0.55 8.46 8.89 2j9nA1 SER 32 HA 0.13 0.24 0.98 -0.75 4.49 5.08 2j9nA1 SER 32 HB2 -0.91 0.01 0.06 -0.04 3.95 3.08 2j9nA1 SER 32 HB3 -0.33 -0.02 0.16 -0.04 3.93 3.70 2j9nA1 LEU 33 H -0.33 0.76 0.30 -0.55 8.37 8.55 2j9nA1 LEU 33 HA -0.25 0.15 0.83 -0.75 4.35 4.32 2j9nA1 LEU 33 HB2 -1.13 -0.03 0.11 -0.04 1.64 0.54 2j9nA1 LEU 33 HB3 -0.56 0.01 -0.06 -0.04 1.64 0.99 2j9nA1 LEU 33 HG -0.22 0.04 -0.44 -0.04 1.64 0.98 2j9nA1 LEU 33 HD13 -0.17 -0.00 -0.18 -0.04 0.93 0.54 2j9nA1 LEU 33 HD23 -0.09 -0.02 -0.30 -0.04 0.89 0.44 2j9nA1 ASN 34 H -0.18 0.69 0.31 -0.55 8.53 8.81 2j9nA1 ASN 34 HA -0.15 0.35 0.92 -0.75 4.76 5.13 2j9nA1 ASN 34 HB2 -0.26 0.02 -0.21 -0.04 2.88 2.39 2j9nA1 ASN 34 HB3 -0.25 0.04 0.06 -0.04 2.79 2.60 2j9nA1 ASN 34 HD21 -0.14 0.06 -0.30 -0.04 7.03 6.60 2j9nA1 ASN 34 HD22 -0.20 0.04 -0.26 -0.04 7.74 7.29 2j9nA1 SER 35 H -0.31 0.53 0.19 -0.55 8.46 8.32 2j9nA1 SER 35 HA -0.20 0.15 0.70 -0.75 4.49 4.39 2j9nA1 SER 35 HB2 -0.38 0.00 0.23 -0.04 3.95 3.76 2j9nA1 SER 35 HB3 -0.41 0.00 0.06 -0.04 3.93 3.54 2j9nA1 GLY 36 H -0.22 0.12 -0.17 -0.55 8.43 7.62 2j9nA1 GLY 36 HA2 -0.08 0.02 0.31 -0.51 4.01 3.75 2j9nA1 GLY 36 HA3 -0.06 0.21 0.75 -0.51 4.01 4.41 2j9nA1 TYR 37 H -0.44 0.06 -0.02 -0.55 8.29 7.34 2j9nA1 TYR 37 HA -0.04 0.09 0.48 -0.75 4.56 4.33 2j9nA1 TYR 37 HB2 -0.02 0.11 0.01 -0.04 3.06 3.12 2j9nA1 TYR 37 HB3 -0.03 0.11 -0.05 -0.04 2.98 2.96 2j9nA1 TYR 37 HD2 -0.00 0.18 -0.43 -0.04 7.15 6.85 2j9nA1 TYR 37 HE2 -0.06 0.03 -0.06 -0.04 6.85 6.71 2j9nA1 HIS 38 H 0.10 0.15 0.12 -0.55 8.41 8.23 2j9nA1 HIS 38 HA -0.16 0.17 0.71 -0.75 4.63 4.59 2j9nA1 HIS 38 HB2 -0.28 -0.02 0.12 -0.04 3.26 3.04 2j9nA1 HIS 38 HB3 -0.09 0.01 0.15 -0.04 3.20 3.23 2j9nA1 HIS 38 HD2 0.08 -0.00 -0.26 -0.04 6.97 6.74 2j9nA1 HIS 38 HE1 0.26 0.00 -0.12 -0.04 7.75 7.85 2j9nA1 PHE 39 H -0.73 0.53 0.45 -0.55 8.34 8.03 2j9nA1 PHE 39 HA -0.07 0.16 0.80 -0.75 4.62 4.75 2j9nA1 PHE 39 HB2 0.03 -0.03 0.11 -0.04 3.15 3.22 2j9nA1 PHE 39 HB3 0.06 -0.00 -0.13 -0.04 3.06 2.95 2j9nA1 PHE 39 HD2 -0.23 -0.04 -0.12 -0.04 7.28 6.85 2j9nA1 PHE 39 HE2 -0.19 0.14 -0.29 -0.04 7.38 7.00 2j9nA1 PHE 39 HZ -0.17 -0.05 -0.17 -0.04 7.32 6.89 2j9nA1 CYS 40 H -1.10 0.22 0.38 -0.55 8.50 7.45 2j9nA1 CYS 40 HA -0.11 0.09 0.55 -0.75 4.58 4.35 2j9nA1 CYS 40 HB2 -0.65 -0.11 -0.10 -0.04 2.97 2.06 2j9nA1 CYS 40 HB3 -0.19 0.21 0.11 -0.04 2.97 3.06 2j9nA1 GLY 41 H 0.05 0.60 0.14 -0.55 8.43 8.67 2j9nA1 GLY 41 HA2 0.19 0.22 1.02 -0.51 4.01 4.93 2j9nA1 GLY 41 HA3 0.16 0.01 0.42 -0.51 4.01 4.09 2j9nA1 GLY 42 H 0.12 0.41 0.38 -0.55 8.43 8.79 2j9nA1 GLY 42 HA2 0.06 0.43 0.61 -0.51 4.01 4.60 2j9nA1 GLY 42 HA3 0.05 -0.07 0.25 -0.51 4.01 3.73 2j9nA1 SER 43 H 0.10 0.58 0.38 -0.55 8.46 8.96 2j9nA1 SER 43 HA 0.19 0.33 1.04 -0.75 4.49 5.30 2j9nA1 SER 43 HB2 0.10 -0.04 0.12 -0.04 3.95 4.09 2j9nA1 SER 43 HB3 0.13 0.03 -0.01 -0.04 3.93 4.04 2j9nA1 LEU 44 H 0.18 0.62 0.34 -0.55 8.37 8.97 2j9nA1 LEU 44 HA 0.11 0.09 0.66 -0.75 4.35 4.47 2j9nA1 LEU 44 HB2 0.11 0.00 0.07 -0.04 1.64 1.78 2j9nA1 LEU 44 HB3 0.14 0.09 0.18 -0.04 1.64 2.01 2j9nA1 LEU 44 HG 0.09 -0.03 -0.19 -0.04 1.64 1.48 2j9nA1 LEU 44 HD13 0.07 0.01 -0.09 -0.04 0.93 0.88 2j9nA1 LEU 44 HD23 0.07 -0.03 -0.32 -0.04 0.89 0.57 2j9nA1 ILE 45 H 0.13 0.55 0.47 -0.55 8.25 8.86 2j9nA1 ILE 45 HA 0.05 0.20 1.10 -0.75 4.18 4.78 2j9nA1 ILE 45 HB 0.03 -0.02 0.11 -0.04 1.89 1.97 2j9nA1 ILE 45 HG12 0.12 0.02 -0.08 -0.04 1.49 1.51 2j9nA1 ILE 45 HG13 0.12 -0.04 -0.09 -0.04 1.21 1.16 2j9nA1 ILE 45 HG23 0.05 0.04 -0.11 -0.04 0.93 0.86 2j9nA1 ILE 45 HD13 -0.04 -0.01 -0.11 -0.04 0.88 0.68 2j9nA1 ASN 46 H 0.14 0.35 0.32 -0.55 8.53 8.79 2j9nA1 ASN 46 HA 0.07 0.12 0.11 -0.75 4.76 4.31 2j9nA1 ASN 46 HB2 0.08 -0.04 0.24 -0.04 2.88 3.12 2j9nA1 ASN 46 HB3 0.07 0.26 0.23 -0.04 2.79 3.31 2j9nA1 ASN 46 HD21 0.24 0.06 -0.05 -0.04 7.03 7.25 2j9nA1 ASN 46 HD22 0.07 0.08 -0.02 -0.04 7.74 7.83 2j9nA1 SER 47 H 0.08 0.21 0.14 -0.55 8.46 8.34 2j9nA1 SER 47 HA 0.05 0.11 0.26 -0.75 4.49 4.15 2j9nA1 SER 47 HB2 0.02 0.13 0.16 -0.04 3.95 4.22 2j9nA1 SER 47 HB3 0.04 0.02 0.13 -0.04 3.93 4.07 2j9nA1 GLN 48 H 0.13 0.00 -0.33 -0.55 8.47 7.73 2j9nA1 GLN 48 HA -0.11 0.25 0.97 -0.75 4.36 4.71 2j9nA1 GLN 48 HB2 -0.03 0.02 -0.03 -0.04 2.15 2.07 2j9nA1 GLN 48 HB3 -0.39 0.06 0.11 -0.04 2.02 1.76 2j9nA1 GLN 48 HG2 -0.06 0.03 -0.18 -0.04 2.40 2.15 2j9nA1 GLN 48 HG3 0.02 -0.12 -0.17 -0.04 2.39 2.08 2j9nA1 GLN 48 HE21 -0.03 0.03 -0.03 -0.04 6.97 6.90 2j9nA1 GLN 48 HE22 -0.08 0.03 -0.09 -0.04 7.69 7.51 2j9nA1 TRP 49 H 0.19 0.20 -0.03 -0.55 7.97 7.78 2j9nA1 TRP 49 HA -0.01 0.39 1.22 -0.75 4.62 5.47 2j9nA1 TRP 49 HB2 -0.02 -0.12 0.01 -0.04 3.23 3.06 2j9nA1 TRP 49 HB3 -0.03 0.05 -0.09 -0.04 3.23 3.12 2j9nA1 TRP 49 HD1 -0.02 -0.15 -0.15 -0.04 7.22 6.86 2j9nA1 TRP 49 HE1 -0.04 0.16 -0.03 -0.04 10.20 10.25 2j9nA1 TRP 49 HE3 -0.04 -0.01 -0.22 -0.04 7.59 7.28 2j9nA1 TRP 49 HZ2 -0.05 0.13 -0.01 -0.04 7.44 7.47 2j9nA1 TRP 49 HZ3 -0.05 -0.04 -0.32 -0.04 7.13 6.68 2j9nA1 TRP 49 HH2 -0.06 -0.00 -0.14 -0.04 7.19 6.95 2j9nA1 VAL 50 H 0.21 0.73 0.40 -0.55 8.24 9.03 2j9nA1 VAL 50 HA 0.14 0.25 1.01 -0.75 4.13 4.77 2j9nA1 VAL 50 HB 0.07 0.00 0.03 -0.04 2.12 2.19 2j9nA1 VAL 50 HG13 0.07 -0.03 -0.31 -0.04 0.97 0.66 2j9nA1 VAL 50 HG23 0.06 -0.01 -0.28 -0.04 0.95 0.67 2j9nA1 VAL 51 H 0.11 0.68 0.39 -0.55 8.24 8.88 2j9nA1 VAL 51 HA 0.13 0.25 1.16 -0.75 4.13 4.91 2j9nA1 VAL 51 HB 0.09 0.00 0.05 -0.04 2.12 2.22 2j9nA1 VAL 51 HG13 0.09 0.03 0.03 -0.04 0.97 1.08 2j9nA1 VAL 51 HG23 0.13 -0.02 0.04 -0.04 0.95 1.05 2j9nA1 SER 52 H 0.09 0.61 0.34 -0.55 8.46 8.96 2j9nA1 SER 52 HA 0.04 0.45 0.79 -0.75 4.49 5.01 2j9nA1 SER 52 HB2 0.02 -0.04 -0.15 -0.04 3.95 3.74 2j9nA1 SER 52 HB3 0.03 -0.04 -0.07 -0.04 3.93 3.80 2j9nA1 ALA 53 H -0.05 0.22 0.22 -0.55 8.40 8.24 2j9nA1 ALA 53 HA -0.05 0.26 0.67 -0.75 4.34 4.47 2j9nA1 ALA 53 HB3 -0.14 0.02 0.10 -0.04 1.41 1.34 2j9nA1 ALA 54 H -0.20 0.13 -0.36 -0.55 8.40 7.42 2j9nA1 ALA 54 HA -0.17 0.09 0.36 -0.75 4.34 3.87 2j9nA1 ALA 54 HB3 -0.99 0.07 0.06 -0.04 1.41 0.51 2j9nA1 HIS 55 H -0.06 0.07 -0.26 -0.55 8.41 7.62 2j9nA1 HIS 55 HA 0.09 0.14 0.40 -0.75 4.63 4.51 2j9nA1 HIS 55 HB2 0.13 0.07 0.12 -0.04 3.26 3.54 2j9nA1 HIS 55 HB3 0.18 -0.04 0.05 -0.04 3.20 3.35 2j9nA1 HIS 55 HD2 0.10 0.02 -0.10 -0.04 6.97 6.95 2j9nA1 HIS 55 HE1 0.08 0.07 0.18 -0.04 7.75 8.04 2j9nA1 CYS 56 H -0.19 0.21 -0.70 -0.55 8.50 7.27 2j9nA1 CYS 56 HA 0.07 0.17 0.61 -0.75 4.58 4.68 2j9nA1 CYS 56 HB2 -0.05 0.15 -0.00 -0.04 2.97 3.02 2j9nA1 CYS 56 HB3 0.08 -0.02 -0.01 -0.04 2.97 2.97 2j9nA1 TYR 57 H 0.13 0.41 -0.35 -0.55 8.29 7.93 2j9nA1 TYR 57 HA 0.04 -0.06 0.33 -0.75 4.56 4.11 2j9nA1 TYR 57 HB2 -0.00 -0.07 0.07 -0.04 3.06 3.01 2j9nA1 TYR 57 HB3 0.02 0.07 0.06 -0.04 2.98 3.08 2j9nA1 TYR 57 HD2 0.02 -0.02 -0.16 -0.04 7.15 6.96 2j9nA1 TYR 57 HE2 0.01 -0.00 -0.15 -0.04 6.85 6.67 2j9nA1 LYS 58 H -0.55 0.25 0.16 -0.55 8.42 7.73 2j9nA1 LYS 58 HA -0.64 0.11 0.38 -0.75 4.32 3.41 2j9nA1 LYS 58 HB2 -0.47 0.03 -0.12 -0.04 1.87 1.27 2j9nA1 LYS 58 HB3 -0.45 -0.13 -0.00 -0.04 1.79 1.17 2j9nA1 LYS 58 HG2 -0.40 0.02 0.07 -0.04 1.46 1.11 2j9nA1 LYS 58 HG3 -0.61 0.18 -0.33 -0.04 1.46 0.66 2j9nA1 LYS 58 HD2 -1.99 -0.02 -0.08 -0.04 1.69 -0.43 2j9nA1 LYS 58 HD3 -0.63 -0.05 0.01 -0.04 1.68 0.97 2j9nA1 LYS 58 HE2 -0.36 0.01 -0.02 -0.04 2.99 2.58 2j9nA1 LYS 58 HE3 -0.99 0.03 -0.06 -0.04 2.99 1.94 2j9nA1 SER 59 H -0.32 0.14 0.08 -0.55 8.46 7.82 2j9nA1 SER 59 HA -0.11 0.00 0.29 -0.75 4.49 3.92 2j9nA1 SER 59 HB2 -0.00 0.00 0.08 -0.04 3.95 3.98 2j9nA1 SER 59 HB3 -0.09 0.00 0.11 -0.04 3.93 3.91 2j9nA1 GLY 60 H -0.19 0.12 -0.09 -0.55 8.43 7.72 2j9nA1 GLY 60 HA2 -0.08 0.20 0.86 -0.51 4.01 4.49 2j9nA1 GLY 60 HA3 -0.10 0.01 0.28 -0.51 4.01 3.69 2j9nA1 ILE 61 H -0.06 0.28 0.09 -0.55 8.25 8.01 2j9nA1 ILE 61 HA 0.00 0.28 0.88 -0.75 4.18 4.59 2j9nA1 ILE 61 HB -0.02 -0.04 0.00 -0.04 1.89 1.80 2j9nA1 ILE 61 HG12 0.18 0.07 -0.23 -0.04 1.49 1.46 2j9nA1 ILE 61 HG13 -0.09 -0.03 -0.68 -0.04 1.21 0.37 2j9nA1 ILE 61 HG23 0.01 -0.03 -0.28 -0.04 0.93 0.59 2j9nA1 ILE 61 HD13 0.02 -0.05 -0.12 -0.04 0.88 0.69 2j9nA1 GLN 62 H -0.07 0.77 0.29 -0.55 8.47 8.91 2j9nA1 GLN 62 HA -0.07 0.07 0.85 -0.75 4.36 4.46 2j9nA1 GLN 62 HB2 -0.10 -0.01 -0.02 -0.04 2.15 1.98 2j9nA1 GLN 62 HB3 -0.17 -0.02 0.06 -0.04 2.02 1.84 2j9nA1 GLN 62 HG2 -0.14 0.11 -0.38 -0.04 2.40 1.95 2j9nA1 GLN 62 HG3 -0.05 -0.06 -0.32 -0.04 2.39 1.91 2j9nA1 GLN 62 HE21 0.02 0.01 -0.11 -0.04 6.97 6.85 2j9nA1 GLN 62 HE22 0.00 -0.01 -0.16 -0.04 7.69 7.48 2j9nA1 VAL 63 H -0.06 0.64 0.18 -0.55 8.24 8.46 2j9nA1 VAL 63 HA -0.08 0.12 0.72 -0.75 4.13 4.14 2j9nA1 VAL 63 HB -0.02 0.11 0.12 -0.04 2.12 2.28 2j9nA1 VAL 63 HG13 0.00 -0.02 -0.24 -0.04 0.97 0.67 2j9nA1 VAL 63 HG23 -0.04 -0.01 -0.18 -0.04 0.95 0.68 2j9nA1 ARG 64 H -0.08 0.68 0.33 -0.55 8.46 8.84 2j9nA1 ARG 64 HA 0.10 0.26 1.07 -0.75 4.34 5.02 2j9nA1 ARG 64 HB2 -0.19 -0.01 0.20 -0.04 1.90 1.86 2j9nA1 ARG 64 HB3 -0.06 -0.01 0.01 -0.04 1.80 1.70 2j9nA1 ARG 64 HG2 -0.66 0.01 -0.17 -0.04 1.67 0.80 2j9nA1 ARG 64 HG3 -0.34 0.06 -0.34 -0.04 1.67 1.01 2j9nA1 ARG 64 HD2 -0.43 -0.02 -0.13 -0.04 3.22 2.59 2j9nA1 ARG 64 HD3 -0.69 0.01 -0.10 -0.04 3.22 2.41 2j9nA1 LEU 65 H 0.13 0.74 0.33 -0.55 8.37 9.02 2j9nA1 LEU 65 HA 0.09 0.17 0.85 -0.75 4.35 4.71 2j9nA1 LEU 65 HB2 0.06 -0.02 0.08 -0.04 1.64 1.72 2j9nA1 LEU 65 HB3 0.06 0.05 0.08 -0.04 1.64 1.79 2j9nA1 LEU 65 HG 0.05 0.00 -0.08 -0.04 1.64 1.56 2j9nA1 LEU 65 HD13 0.06 0.01 -0.25 -0.04 0.93 0.71 2j9nA1 LEU 65 HD23 0.05 -0.05 -0.22 -0.04 0.89 0.63 2j9nA1 GLY 66 H 0.08 0.32 0.22 -0.55 8.43 8.50 2j9nA1 GLY 66 HA2 0.06 0.21 0.33 -0.51 4.01 4.10 2j9nA1 GLY 66 HA3 0.05 0.25 0.39 -0.51 4.01 4.19 2j9nA1 GLU 67 H 0.16 0.13 -0.31 -0.55 8.60 8.03 2j9nA1 GLU 67 HA 0.11 0.03 0.46 -0.75 4.29 4.13 2j9nA1 GLU 67 HB2 0.20 0.02 -0.08 -0.04 2.09 2.19 2j9nA1 GLU 67 HB3 0.03 0.05 -0.31 -0.04 1.99 1.72 2j9nA1 GLU 67 HG2 0.09 0.02 -0.36 -0.04 2.34 2.04 2j9nA1 GLU 67 HG3 -0.17 0.00 -0.13 -0.04 2.34 2.00 2j9nA1 ASP 68 H 0.13 0.12 0.06 -0.55 8.40 8.16 2j9nA1 ASP 68 HA 0.27 0.17 0.61 -0.75 4.63 4.93 2j9nA1 ASP 68 HB2 0.08 -0.00 0.11 -0.04 2.71 2.86 2j9nA1 ASP 68 HB3 0.09 -0.07 0.24 -0.04 2.70 2.92 2j9nA1 ASN 69 H 0.10 0.10 0.16 -0.55 8.53 8.34 2j9nA1 ASN 69 HA 0.16 0.37 0.61 -0.75 4.76 5.14 2j9nA1 ASN 69 HB2 0.07 -0.01 0.10 -0.04 2.88 2.99 2j9nA1 ASN 69 HB3 0.05 0.04 0.19 -0.04 2.79 3.03 2j9nA1 ASN 69 HD21 0.04 0.04 -0.06 -0.04 7.03 7.02 2j9nA1 ASN 69 HD22 0.05 0.01 -0.04 -0.04 7.74 7.72 2j9nA1 ILE 70 H -0.07 0.75 0.34 -0.55 8.25 8.72 2j9nA1 ILE 70 HA -0.20 0.06 0.33 -0.75 4.18 3.61 2j9nA1 ILE 70 HB -0.43 -0.06 0.11 -0.04 1.89 1.47 2j9nA1 ILE 70 HG12 -0.52 0.24 0.16 -0.04 1.49 1.33 2j9nA1 ILE 70 HG13 -0.21 -0.07 0.03 -0.04 1.21 0.92 2j9nA1 ILE 70 HG23 -1.41 0.02 -0.05 -0.04 0.93 -0.56 2j9nA1 ILE 70 HD13 -0.49 0.00 0.03 -0.04 0.88 0.38 2j9nA1 ASN 71 H -0.02 0.01 -0.37 -0.55 8.53 7.60 2j9nA1 ASN 71 HA -0.02 0.23 0.83 -0.75 4.76 5.04 2j9nA1 ASN 71 HB2 0.00 -0.06 0.02 -0.04 2.88 2.81 2j9nA1 ASN 71 HB3 0.00 0.02 0.11 -0.04 2.79 2.88 2j9nA1 ASN 71 HD21 -0.00 0.05 -0.05 -0.04 7.03 6.99 2j9nA1 ASN 71 HD22 0.01 -0.04 -0.03 -0.04 7.74 7.64 2j9nA1 VAL 72 H 0.01 0.38 -0.20 -0.55 8.24 7.89 2j9nA1 VAL 72 HA 0.02 0.18 0.80 -0.75 4.13 4.37 2j9nA1 VAL 72 HB 0.03 -0.08 0.00 -0.04 2.12 2.03 2j9nA1 VAL 72 HG13 0.02 0.01 -0.21 -0.04 0.97 0.74 2j9nA1 VAL 72 HG23 0.02 -0.01 -0.23 -0.04 0.95 0.69 2j9nA1 VAL 73 H 0.02 0.20 0.06 -0.55 8.24 7.97 2j9nA1 VAL 73 HA 0.01 0.05 0.71 -0.75 4.13 4.14 2j9nA1 VAL 73 HB -0.01 0.04 0.16 -0.04 2.12 2.26 2j9nA1 VAL 73 HG13 -0.09 -0.00 -0.08 -0.04 0.97 0.75 2j9nA1 VAL 73 HG23 0.03 0.02 -0.03 -0.04 0.95 0.93 2j9nA1 GLU 74 H 0.00 0.09 0.21 -0.55 8.60 8.36 2j9nA1 GLU 74 HA 0.00 0.23 0.72 -0.75 4.29 4.49 2j9nA1 GLU 74 HB2 0.02 -0.06 0.10 -0.04 2.09 2.11 2j9nA1 GLU 74 HB3 0.02 0.03 0.09 -0.04 1.99 2.08 2j9nA1 GLU 74 HG2 0.02 0.05 -0.12 -0.04 2.34 2.25 2j9nA1 GLU 74 HG3 0.03 0.24 -0.16 -0.04 2.34 2.41 2j9nA1 GLY 75 H -0.03 -0.06 0.09 -0.55 8.43 7.88 2j9nA1 GLY 75 HA2 -0.04 0.05 0.24 -0.51 4.01 3.75 2j9nA1 GLY 75 HA3 -0.02 0.27 0.81 -0.51 4.01 4.57 2j9nA1 ASN 76 H -0.01 0.01 0.05 -0.55 8.53 8.04 2j9nA1 ASN 76 HA -0.02 0.27 0.92 -0.75 4.76 5.17 2j9nA1 ASN 76 HB2 0.01 0.04 0.07 -0.04 2.88 2.96 2j9nA1 ASN 76 HB3 0.01 -0.01 0.15 -0.04 2.79 2.90 2j9nA1 ASN 76 HD21 0.00 0.03 -0.12 -0.04 7.03 6.91 2j9nA1 ASN 76 HD22 0.01 -0.04 -0.12 -0.04 7.74 7.55 2j9nA1 GLU 77 H -0.07 -0.15 -0.05 -0.55 8.60 7.78 2j9nA1 GLU 77 HA 0.02 0.34 0.41 -0.75 4.29 4.30 2j9nA1 GLU 77 HB2 -0.32 -0.08 -0.01 -0.04 2.09 1.64 2j9nA1 GLU 77 HB3 -0.15 0.05 -0.13 -0.04 1.99 1.72 2j9nA1 GLU 77 HG2 0.17 0.06 -0.07 -0.04 2.34 2.45 2j9nA1 GLU 77 HG3 0.07 0.12 -0.18 -0.04 2.34 2.30 2j9nA1 GLN 78 H 0.06 0.55 0.22 -0.55 8.47 8.76 2j9nA1 GLN 78 HA -0.06 0.13 0.61 -0.75 4.36 4.28 2j9nA1 GLN 78 HB2 0.04 -0.08 0.08 -0.04 2.15 2.15 2j9nA1 GLN 78 HB3 0.02 0.02 -0.02 -0.04 2.02 2.00 2j9nA1 GLN 78 HG2 -0.02 0.07 -0.01 -0.04 2.40 2.40 2j9nA1 GLN 78 HG3 -0.00 0.07 -0.40 -0.04 2.39 2.02 2j9nA1 GLN 78 HE21 0.01 0.45 0.12 -0.04 6.97 7.51 2j9nA1 GLN 78 HE22 0.01 0.03 -0.06 -0.04 7.69 7.62 2j9nA1 PHE 79 H 0.03 0.22 0.04 -0.55 8.34 8.08 2j9nA1 PHE 79 HA -0.04 0.28 0.98 -0.75 4.62 5.09 2j9nA1 PHE 79 HB2 -0.03 -0.01 0.12 -0.04 3.15 3.18 2j9nA1 PHE 79 HB3 -0.04 0.00 -0.06 -0.04 3.06 2.92 2j9nA1 PHE 79 HD2 -0.04 0.06 -0.26 -0.04 7.28 7.00 2j9nA1 PHE 79 HE2 -0.05 0.00 -0.11 -0.04 7.38 7.18 2j9nA1 PHE 79 HZ -0.05 0.01 -0.12 -0.04 7.32 7.12 2j9nA1 ILE 80 H 0.05 0.77 0.24 -0.55 8.25 8.76 2j9nA1 ILE 80 HA 0.02 0.13 0.94 -0.75 4.18 4.51 2j9nA1 ILE 80 HB -0.00 -0.03 0.05 -0.04 1.89 1.87 2j9nA1 ILE 80 HG12 0.01 0.07 -0.22 -0.04 1.49 1.31 2j9nA1 ILE 80 HG13 0.04 -0.15 -0.67 -0.04 1.21 0.39 2j9nA1 ILE 80 HG23 -0.03 0.11 0.00 -0.04 0.93 0.97 2j9nA1 ILE 80 HD13 0.00 0.05 -0.21 -0.04 0.88 0.68 2j9nA1 SER 81 H -0.01 0.15 0.15 -0.55 8.46 8.20 2j9nA1 SER 81 HA -0.04 0.04 0.73 -0.75 4.49 4.46 2j9nA1 SER 81 HB2 -0.03 -0.03 0.10 -0.04 3.95 3.95 2j9nA1 SER 81 HB3 -0.04 0.17 0.10 -0.04 3.93 4.12 2j9nA1 ALA 82 H -0.05 0.58 0.39 -0.55 8.40 8.78 2j9nA1 ALA 82 HA -0.09 0.13 0.73 -0.75 4.34 4.36 2j9nA1 ALA 82 HB3 -0.04 -0.02 0.04 -0.04 1.41 1.35 2j9nA1 SER 83 H -0.13 0.60 0.28 -0.55 8.46 8.67 2j9nA1 SER 83 HA -0.05 0.15 0.89 -0.75 4.49 4.73 2j9nA1 SER 83 HB2 -0.07 -0.02 0.03 -0.04 3.95 3.85 2j9nA1 SER 83 HB3 -0.09 -0.03 -0.02 -0.04 3.93 3.74 2j9nA1 LYS 84 H -0.11 0.29 0.21 -0.55 8.42 8.27 2j9nA1 LYS 84 HA 0.01 0.15 0.71 -0.75 4.32 4.44 2j9nA1 LYS 84 HB2 -0.02 0.09 -0.22 -0.04 1.87 1.68 2j9nA1 LYS 84 HB3 -0.06 -0.09 -0.02 -0.04 1.79 1.58 2j9nA1 LYS 84 HG2 0.10 0.03 -0.27 -0.04 1.46 1.27 2j9nA1 LYS 84 HG3 0.06 0.04 0.06 -0.04 1.46 1.58 2j9nA1 LYS 84 HD2 0.13 -0.07 -0.10 -0.04 1.69 1.62 2j9nA1 LYS 84 HD3 0.13 0.02 -0.09 -0.04 1.68 1.69 2j9nA1 LYS 84 HE2 0.05 0.02 -0.00 -0.04 2.99 3.02 2j9nA1 LYS 84 HE3 0.03 -0.00 -0.04 -0.04 2.99 2.94 2j9nA1 SER 85 H 0.09 0.25 0.19 -0.55 8.46 8.44 2j9nA1 SER 85 HA 0.13 0.26 0.94 -0.75 4.49 5.07 2j9nA1 SER 85 HB2 0.19 0.00 0.02 -0.04 3.95 4.12 2j9nA1 SER 85 HB3 0.12 0.00 -0.02 -0.04 3.93 3.99 2j9nA1 ILE 86 H 0.21 0.68 0.17 -0.55 8.25 8.76 2j9nA1 ILE 86 HA 0.16 0.18 0.86 -0.75 4.18 4.63 2j9nA1 ILE 86 HB 0.22 -0.11 0.12 -0.04 1.89 2.09 2j9nA1 ILE 86 HG12 0.15 0.09 -0.10 -0.04 1.49 1.59 2j9nA1 ILE 86 HG13 0.21 -0.11 -0.64 -0.04 1.21 0.62 2j9nA1 ILE 86 HG23 0.30 0.01 -0.12 -0.04 0.93 1.09 2j9nA1 ILE 86 HD13 0.21 -0.00 -0.13 -0.04 0.88 0.91 2j9nA1 VAL 87 H 0.10 0.18 0.04 -0.55 8.24 8.00 2j9nA1 VAL 87 HA 0.09 -0.01 0.85 -0.75 4.13 4.30 2j9nA1 VAL 87 HB -0.00 0.02 0.11 -0.04 2.12 2.21 2j9nA1 VAL 87 HG13 0.00 0.05 -0.01 -0.04 0.97 0.97 2j9nA1 VAL 87 HG23 -0.02 -0.01 0.02 -0.04 0.95 0.90 2j9nA1 HIS 88 H 0.01 0.45 0.37 -0.55 8.41 8.69 2j9nA1 HIS 88 HA -0.57 0.08 0.41 -0.75 4.63 3.79 2j9nA1 HIS 88 HB2 -0.58 0.10 0.22 -0.04 3.26 2.96 2j9nA1 HIS 88 HB3 -0.23 0.02 0.20 -0.04 3.20 3.15 2j9nA1 HIS 88 HD2 -1.80 0.00 -0.02 -0.04 6.97 5.11 2j9nA1 HIS 88 HE1 -0.15 0.04 -0.01 -0.04 7.75 7.58 2j9nA1 PRO 89 HA -0.05 0.14 0.43 -0.51 4.44 4.45 2j9nA1 PRO 89 HB2 -0.10 0.03 -0.03 -0.04 2.28 2.14 2j9nA1 PRO 89 HB3 -0.07 0.05 0.12 -0.04 2.02 2.09 2j9nA1 PRO 89 HG2 -0.65 -0.03 0.09 -0.04 2.03 1.39 2j9nA1 PRO 89 HG3 -0.30 0.06 0.08 -0.04 2.03 1.82 2j9nA1 PRO 89 HD2 -2.40 0.02 0.22 -0.04 3.68 1.48 2j9nA1 PRO 89 HD3 -0.32 0.19 0.17 -0.04 3.65 3.65 2j9nA1 SER 90 H 0.28 0.03 -0.31 -0.55 8.46 7.92 2j9nA1 SER 90 HA 0.05 0.25 0.70 -0.75 4.49 4.73 2j9nA1 SER 90 HB2 0.19 -0.05 -0.02 -0.04 3.95 4.04 2j9nA1 SER 90 HB3 0.06 -0.01 0.08 -0.04 3.93 4.02 2j9nA1 TYR 91 H 0.21 0.40 -0.40 -0.55 8.29 7.96 2j9nA1 TYR 91 HA -0.04 0.17 0.47 -0.75 4.56 4.41 2j9nA1 TYR 91 HB2 -0.00 -0.00 0.17 -0.04 3.06 3.18 2j9nA1 TYR 91 HB3 -0.00 0.06 0.05 -0.04 2.98 3.05 2j9nA1 TYR 91 HD2 -0.02 0.11 -0.30 -0.04 7.15 6.90 2j9nA1 TYR 91 HE2 0.03 0.03 -0.21 -0.04 6.85 6.66 2j9nA1 ASN 92 H -0.24 0.55 0.17 -0.55 8.53 8.47 2j9nA1 ASN 92 HA -0.34 0.16 0.82 -0.75 4.76 4.65 2j9nA1 ASN 92 HB2 -0.13 0.19 0.04 -0.04 2.88 2.94 2j9nA1 ASN 92 HB3 -0.17 -0.15 0.24 -0.04 2.79 2.67 2j9nA1 ASN 92 HD21 -0.10 0.04 0.02 -0.04 7.03 6.95 2j9nA1 ASN 92 HD22 -0.09 0.08 0.02 -0.04 7.74 7.71 2j9nA1 SER 93 H -0.51 0.27 0.03 -0.55 8.46 7.71 2j9nA1 SER 93 HA -0.51 0.07 0.26 -0.75 4.49 3.56 2j9nA1 SER 93 HB2 -0.03 0.07 0.05 -0.04 3.95 4.00 2j9nA1 SER 93 HB3 -0.14 0.03 0.01 -0.04 3.93 3.79 2j9nA1 ASN 94 H -0.22 0.01 -0.26 -0.55 8.53 7.51 2j9nA1 ASN 94 HA -0.15 0.19 0.64 -0.75 4.76 4.68 2j9nA1 ASN 94 HB2 -0.14 -0.07 0.07 -0.04 2.88 2.70 2j9nA1 ASN 94 HB3 -0.12 0.08 -0.01 -0.04 2.79 2.70 2j9nA1 ASN 94 HD21 -0.08 0.03 0.00 -0.04 7.03 6.94 2j9nA1 ASN 94 HD22 -0.09 0.00 0.01 -0.04 7.74 7.62 2j9nA1 THR 95 H -0.20 0.02 -0.07 -0.55 8.28 7.48 2j9nA1 THR 95 HA -0.27 0.26 0.67 -0.75 4.39 4.29 2j9nA1 THR 95 HB -0.12 0.08 0.09 -0.04 4.32 4.33 2j9nA1 THR 95 HG23 -0.11 0.01 -0.03 -0.04 1.22 1.05 2j9nA1 LEU 96 H -0.23 0.28 -0.17 -0.55 8.37 7.70 2j9nA1 LEU 96 HA 0.02 0.04 0.19 -0.75 4.35 3.84 2j9nA1 LEU 96 HB2 -0.45 0.21 0.02 -0.04 1.64 1.38 2j9nA1 LEU 96 HB3 0.08 -0.14 0.13 -0.04 1.64 1.67 2j9nA1 LEU 96 HG -0.35 0.11 -0.28 -0.04 1.64 1.08 2j9nA1 LEU 96 HD13 -0.27 -0.01 -0.08 -0.04 0.93 0.53 2j9nA1 LEU 96 HD23 0.08 -0.03 -0.01 -0.04 0.89 0.89 2j9nA1 ASN 97 H -0.08 0.01 -0.32 -0.55 8.53 7.59 2j9nA1 ASN 97 HA 0.07 0.03 0.51 -0.75 4.76 4.61 2j9nA1 ASN 97 HB2 -0.02 0.05 0.04 -0.04 2.88 2.91 2j9nA1 ASN 97 HB3 -0.03 0.03 0.05 -0.04 2.79 2.81 2j9nA1 ASN 97 HD21 0.01 -0.03 -0.02 -0.04 7.03 6.94 2j9nA1 ASN 97 HD22 -0.01 0.06 -0.03 -0.04 7.74 7.72 2j9nA1 ASN 98 H 0.08 0.11 0.14 -0.55 8.53 8.31 2j9nA1 ASN 98 HA -0.10 0.02 0.26 -0.75 4.76 4.19 2j9nA1 ASN 98 HB2 -0.02 0.18 -0.16 -0.04 2.88 2.85 2j9nA1 ASN 98 HB3 -0.63 -0.07 0.04 -0.04 2.79 2.08 2j9nA1 ASN 98 HD21 -0.00 -0.03 -0.13 -0.04 7.03 6.83 2j9nA1 ASN 98 HD22 -0.00 0.47 -0.31 -0.04 7.74 7.86 2j9nA1 ASP 99 H 0.05 0.21 -0.07 -0.55 8.40 8.03 2j9nA1 ASP 99 HA -0.03 0.04 0.38 -0.75 4.63 4.26 2j9nA1 ASP 99 HB2 0.24 0.29 0.06 -0.04 2.71 3.26 2j9nA1 ASP 99 HB3 0.13 -0.01 0.23 -0.04 2.70 3.02 2j9nA1 ILE 100 H -0.21 0.58 0.35 -0.55 8.25 8.42 2j9nA1 ILE 100 HA -0.06 0.35 0.93 -0.75 4.18 4.65 2j9nA1 ILE 100 HB -0.34 0.03 -0.31 -0.04 1.89 1.22 2j9nA1 ILE 100 HG12 0.26 -0.03 -0.16 -0.04 1.49 1.52 2j9nA1 ILE 100 HG13 0.05 0.17 0.11 -0.04 1.21 1.50 2j9nA1 ILE 100 HG23 -0.77 -0.01 -0.16 -0.04 0.93 -0.05 2j9nA1 ILE 100 HD13 0.03 -0.01 -0.11 -0.04 0.88 0.75 2j9nA1 MET 101 H 0.08 0.70 0.21 -0.55 8.47 8.90 2j9nA1 MET 101 HA 0.27 0.00 0.81 -0.75 4.52 4.84 2j9nA1 MET 101 HB2 0.02 0.00 -0.29 -0.04 2.15 1.84 2j9nA1 MET 101 HB3 0.06 0.00 -0.48 -0.04 2.03 1.57 2j9nA1 MET 101 HG2 0.15 0.06 -0.46 -0.04 2.63 2.34 2j9nA1 MET 101 HG3 0.17 -0.02 -0.43 -0.04 2.56 2.24 2j9nA1 MET 101 HE3 0.07 0.04 -0.32 -0.04 2.10 1.85 2j9nA1 LEU 102 H 0.31 0.63 0.27 -0.55 8.37 9.03 2j9nA1 LEU 102 HA 0.21 0.31 1.05 -0.75 4.35 5.16 2j9nA1 LEU 102 HB2 0.10 0.01 0.11 -0.04 1.64 1.81 2j9nA1 LEU 102 HB3 0.34 0.04 -0.05 -0.04 1.64 1.93 2j9nA1 LEU 102 HG -0.04 -0.09 -0.18 -0.04 1.64 1.28 2j9nA1 LEU 102 HD13 -0.99 0.00 -0.06 -0.04 0.93 -0.16 2j9nA1 LEU 102 HD23 -0.07 0.02 -0.06 -0.04 0.89 0.75 2j9nA1 ILE 103 H 0.28 0.68 0.35 -0.55 8.25 9.00 2j9nA1 ILE 103 HA 0.09 0.24 1.05 -0.75 4.18 4.82 2j9nA1 ILE 103 HB 0.06 -0.06 0.06 -0.04 1.89 1.91 2j9nA1 ILE 103 HG12 0.08 0.04 -0.15 -0.04 1.49 1.42 2j9nA1 ILE 103 HG13 0.11 -0.09 -0.57 -0.04 1.21 0.61 2j9nA1 ILE 103 HG23 -0.02 0.01 -0.20 -0.04 0.93 0.67 2j9nA1 ILE 103 HD13 0.03 -0.00 -0.23 -0.04 0.88 0.64 2j9nA1 LYS 104 H -0.20 0.64 0.31 -0.55 8.42 8.62 2j9nA1 LYS 104 HA -0.99 0.29 1.08 -0.75 4.32 3.95 2j9nA1 LYS 104 HB2 -1.62 -0.04 0.03 -0.04 1.87 0.20 2j9nA1 LYS 104 HB3 -0.51 -0.13 0.12 -0.04 1.79 1.22 2j9nA1 LYS 104 HG2 -0.64 0.22 -0.04 -0.04 1.46 0.95 2j9nA1 LYS 104 HG3 -1.81 0.03 0.07 -0.04 1.46 -0.29 2j9nA1 LYS 104 HD2 -0.41 -0.09 -0.03 -0.04 1.69 1.13 2j9nA1 LYS 104 HD3 -0.30 -0.03 -0.07 -0.04 1.68 1.24 2j9nA1 LYS 104 HE2 -0.26 0.08 -0.02 -0.04 2.99 2.74 2j9nA1 LYS 104 HE3 -0.20 0.03 -0.02 -0.04 2.99 2.76 2j9nA1 LEU 105 H -0.43 0.66 0.29 -0.55 8.37 8.34 2j9nA1 LEU 105 HA -0.14 0.09 0.56 -0.75 4.35 4.10 2j9nA1 LEU 105 HB2 -0.16 -0.01 0.08 -0.04 1.64 1.51 2j9nA1 LEU 105 HB3 -0.09 0.08 0.03 -0.04 1.64 1.61 2j9nA1 LEU 105 HG -0.12 -0.00 -0.25 -0.04 1.64 1.23 2j9nA1 LEU 105 HD13 -0.03 0.02 -0.08 -0.04 0.93 0.81 2j9nA1 LEU 105 HD23 -0.06 -0.01 -0.20 -0.04 0.89 0.58 2j9nA1 LYS 106 H -0.09 0.65 0.27 -0.55 8.42 8.70 2j9nA1 LYS 106 HA -0.09 0.03 0.42 -0.75 4.32 3.92 2j9nA1 LYS 106 HB2 -0.05 0.00 0.13 -0.04 1.87 1.91 2j9nA1 LYS 106 HB3 -0.04 -0.02 -0.05 -0.04 1.79 1.63 2j9nA1 LYS 106 HG2 -0.05 -0.01 -0.01 -0.04 1.46 1.35 2j9nA1 LYS 106 HG3 -0.06 0.03 -0.39 -0.04 1.46 1.00 2j9nA1 LYS 106 HD2 -0.03 -0.09 -0.04 -0.04 1.69 1.48 2j9nA1 LYS 106 HD3 -0.03 -0.03 -0.02 -0.04 1.68 1.56 2j9nA1 LYS 106 HE2 -0.04 0.21 -0.12 -0.04 2.99 3.00 2j9nA1 LYS 106 HE3 -0.03 -0.06 -0.03 -0.04 2.99 2.83 2j9nA1 SER 107 H -0.06 0.16 -0.10 -0.55 8.46 7.91 2j9nA1 SER 107 HA -0.05 0.15 0.61 -0.75 4.49 4.44 2j9nA1 SER 107 HB2 -0.02 0.02 0.06 -0.04 3.95 3.97 2j9nA1 SER 107 HB3 -0.03 0.03 -0.06 -0.04 3.93 3.83 2j9nA1 ALA 108 H -0.03 0.09 0.08 -0.55 8.40 7.99 2j9nA1 ALA 108 HA -0.04 0.17 0.41 -0.75 4.34 4.12 2j9nA1 ALA 108 HB3 -0.01 -0.01 0.04 -0.04 1.41 1.39 2j9nA1 ALA 109 H -0.00 0.67 0.35 -0.55 8.40 8.87 2j9nA1 ALA 109 HA 0.01 0.04 0.57 -0.75 4.34 4.21 2j9nA1 ALA 109 HB3 0.02 -0.01 -0.00 -0.04 1.41 1.38 2j9nA1 SER 110 H 0.01 0.14 0.07 -0.55 8.46 8.14 2j9nA1 SER 110 HA 0.01 0.11 0.77 -0.75 4.49 4.62 2j9nA1 SER 110 HB2 0.00 0.00 0.14 -0.04 3.95 4.05 2j9nA1 SER 110 HB3 0.00 0.00 -0.00 -0.04 3.93 3.89 2j9nA1 LEU 111 H 0.02 0.14 0.08 -0.55 8.37 8.06 2j9nA1 LEU 111 HA 0.03 0.21 0.49 -0.75 4.35 4.32 2j9nA1 LEU 111 HB2 0.03 -0.04 0.10 -0.04 1.64 1.68 2j9nA1 LEU 111 HB3 0.03 0.07 0.08 -0.04 1.64 1.78 2j9nA1 LEU 111 HG 0.03 0.06 -0.06 -0.04 1.64 1.63 2j9nA1 LEU 111 HD13 0.04 -0.04 -0.04 -0.04 0.93 0.84 2j9nA1 LEU 111 HD23 0.05 -0.02 -0.35 -0.04 0.89 0.52 2j9nA1 ASN 112 H 0.03 0.78 0.38 -0.55 8.53 9.17 2j9nA1 ASN 112 HA 0.02 0.11 0.55 -0.75 4.76 4.68 2j9nA1 ASN 112 HB2 0.01 -0.17 0.20 -0.04 2.88 2.88 2j9nA1 ASN 112 HB3 0.01 0.14 -0.10 -0.04 2.79 2.80 2j9nA1 ASN 112 HD21 0.01 0.05 -0.04 -0.04 7.03 7.01 2j9nA1 ASN 112 HD22 0.01 0.01 -0.19 -0.04 7.74 7.52 2j9nA1 SER 113 H 0.02 0.14 0.14 -0.55 8.46 8.21 2j9nA1 SER 113 HA 0.02 0.12 0.47 -0.75 4.49 4.35 2j9nA1 SER 113 HB2 0.01 -0.05 0.13 -0.04 3.95 4.01 2j9nA1 SER 113 HB3 0.02 0.07 -0.01 -0.04 3.93 3.96 2j9nA1 ARG 114 H 0.02 -0.01 -0.16 -0.55 8.46 7.75 2j9nA1 ARG 114 HA 0.01 0.30 0.68 -0.75 4.34 4.58 2j9nA1 ARG 114 HB2 0.02 0.01 0.03 -0.04 1.90 1.91 2j9nA1 ARG 114 HB3 0.02 -0.01 0.08 -0.04 1.80 1.85 2j9nA1 ARG 114 HG2 0.01 0.09 -0.07 -0.04 1.67 1.66 2j9nA1 ARG 114 HG3 0.01 -0.11 -0.08 -0.04 1.67 1.46 2j9nA1 ARG 114 HD2 0.01 0.03 -0.00 -0.04 3.22 3.21 2j9nA1 ARG 114 HD3 0.01 -0.03 -0.05 -0.04 3.22 3.12 2j9nA1 VAL 115 H 0.03 0.02 -0.23 -0.55 8.24 7.50 2j9nA1 VAL 115 HA 0.04 0.36 0.86 -0.75 4.13 4.64 2j9nA1 VAL 115 HB 0.03 0.05 0.15 -0.04 2.12 2.31 2j9nA1 VAL 115 HG13 0.05 -0.02 -0.14 -0.04 0.97 0.82 2j9nA1 VAL 115 HG23 0.03 -0.04 -0.16 -0.04 0.95 0.74 2j9nA1 ALA 116 H 0.08 0.63 -0.03 -0.55 8.40 8.53 2j9nA1 ALA 116 HA 0.06 0.03 0.72 -0.75 4.34 4.40 2j9nA1 ALA 116 HB3 0.08 0.06 -0.17 -0.04 1.41 1.34 2j9nA1 SER 117 H 0.07 0.08 0.03 -0.55 8.46 8.09 2j9nA1 SER 117 HA 0.11 0.27 0.54 -0.75 4.49 4.66 2j9nA1 SER 117 HB2 0.05 0.17 -0.27 -0.04 3.95 3.86 2j9nA1 SER 117 HB3 0.07 -0.14 -0.34 -0.04 3.93 3.48 2j9nA1 ILE 118 H 0.03 0.59 0.35 -0.55 8.25 8.68 2j9nA1 ILE 118 HA -0.11 0.12 0.86 -0.75 4.18 4.30 2j9nA1 ILE 118 HB -0.65 -0.04 -0.01 -0.04 1.89 1.15 2j9nA1 ILE 118 HG12 -0.59 -0.09 -0.17 -0.04 1.49 0.60 2j9nA1 ILE 118 HG13 -0.23 0.13 -0.16 -0.04 1.21 0.91 2j9nA1 ILE 118 HG23 -0.12 0.04 -0.04 -0.04 0.93 0.77 2j9nA1 ILE 118 HD13 -0.37 -0.04 -0.10 -0.04 0.88 0.33 2j9nA1 SER 119 H -0.07 0.20 0.16 -0.55 8.46 8.20 2j9nA1 SER 119 HA -0.02 0.03 0.52 -0.75 4.49 4.27 2j9nA1 SER 119 HB2 -0.02 0.00 0.16 -0.04 3.95 4.04 2j9nA1 SER 119 HB3 -0.04 0.00 0.18 -0.04 3.93 4.03 2j9nA1 LEU 120 H -0.01 0.10 0.22 -0.55 8.37 8.14 2j9nA1 LEU 120 HA -0.00 0.12 0.71 -0.75 4.35 4.43 2j9nA1 LEU 120 HB2 -0.00 -0.04 0.07 -0.04 1.64 1.63 2j9nA1 LEU 120 HB3 0.02 0.07 0.06 -0.04 1.64 1.74 2j9nA1 LEU 120 HG -0.01 0.03 0.10 -0.04 1.64 1.72 2j9nA1 LEU 120 HD13 -0.03 -0.01 0.00 -0.04 0.93 0.85 2j9nA1 LEU 120 HD23 0.03 -0.00 0.00 -0.04 0.89 0.88 2j9nA1 PRO 121 HA -0.01 0.04 0.43 -0.51 4.44 4.39 2j9nA1 PRO 121 HB2 -0.01 0.22 -0.17 -0.04 2.28 2.28 2j9nA1 PRO 121 HB3 -0.01 -0.01 -0.09 -0.04 2.02 1.87 2j9nA1 PRO 121 HG2 0.03 -0.05 -0.07 -0.04 2.03 1.90 2j9nA1 PRO 121 HG3 0.03 0.03 -0.03 -0.04 2.03 2.02 2j9nA1 PRO 121 HD2 0.04 0.02 0.14 -0.04 3.68 3.84 2j9nA1 PRO 121 HD3 0.02 0.36 0.23 -0.04 3.65 4.22 2j9nA1 THR 122 H -0.01 0.08 0.18 -0.55 8.28 7.97 2j9nA1 THR 122 HA -0.00 0.15 0.81 -0.75 4.39 4.60 2j9nA1 THR 122 HB -0.01 -0.05 0.15 -0.04 4.32 4.37 2j9nA1 THR 122 HG23 -0.01 -0.00 -0.07 -0.04 1.22 1.10 2j9nA1 SER 123 H -0.02 0.04 0.13 -0.55 8.46 8.07 2j9nA1 SER 123 HA -0.02 0.13 0.79 -0.75 4.49 4.64 2j9nA1 SER 123 HB2 -0.03 -0.03 0.05 -0.04 3.95 3.90 2j9nA1 SER 123 HB3 -0.03 0.13 0.02 -0.04 3.93 4.02 2j9nA1 CYS 124 H -0.03 0.10 0.09 -0.55 8.50 8.11 2j9nA1 CYS 124 HA -0.05 0.06 0.60 -0.75 4.58 4.43 2j9nA1 CYS 124 HB2 -0.05 0.02 0.06 -0.04 2.97 2.96 2j9nA1 CYS 124 HB3 -0.07 -0.02 0.13 -0.04 2.97 2.97 2j9nA1 ALA 125 H -0.17 0.05 0.11 -0.55 8.40 7.85 2j9nA1 ALA 125 HA -0.10 0.14 0.45 -0.75 4.34 4.07 2j9nA1 ALA 125 HB3 -0.26 0.01 0.01 -0.04 1.41 1.13 2j9nA1 SER 126 H -0.09 0.13 0.12 -0.55 8.46 8.07 2j9nA1 SER 126 HA -0.07 0.11 0.70 -0.75 4.49 4.47 2j9nA1 SER 126 HB2 -0.05 -0.04 0.09 -0.04 3.95 3.90 2j9nA1 SER 126 HB3 -0.04 0.10 -0.00 -0.04 3.93 3.95 2j9nA1 ALA 127 H -0.05 0.11 0.13 -0.55 8.40 8.03 2j9nA1 ALA 127 HA -0.06 0.07 0.26 -0.75 4.34 3.85 2j9nA1 ALA 127 HB3 -0.03 -0.01 0.01 -0.04 1.41 1.34 2j9nA1 GLY 128 H -0.04 0.73 0.26 -0.55 8.43 8.83 2j9nA1 GLY 128 HA2 -0.04 0.02 0.36 -0.51 4.01 3.85 2j9nA1 GLY 128 HA3 -0.03 0.08 0.52 -0.51 4.01 4.07 2j9nA1 THR 129 H -0.06 0.47 -0.27 -0.55 8.28 7.88 2j9nA1 THR 129 HA -0.03 0.05 0.55 -0.75 4.39 4.21 2j9nA1 THR 129 HB -0.07 -0.04 0.09 -0.04 4.32 4.26 2j9nA1 THR 129 HG23 -0.04 0.01 -0.14 -0.04 1.22 1.01 2j9nA1 GLN 130 H -0.02 0.14 0.20 -0.55 8.47 8.25 2j9nA1 GLN 130 HA -0.02 0.09 0.51 -0.75 4.36 4.19 2j9nA1 GLN 130 HB2 0.00 -0.03 0.16 -0.04 2.15 2.24 2j9nA1 GLN 130 HB3 0.02 0.03 -0.07 -0.04 2.02 1.97 2j9nA1 GLN 130 HG2 0.00 0.06 -0.04 -0.04 2.40 2.38 2j9nA1 GLN 130 HG3 0.02 0.00 -0.01 -0.04 2.39 2.36 2j9nA1 GLN 130 HE21 0.12 0.03 -0.08 -0.04 6.97 7.00 2j9nA1 GLN 130 HE22 0.04 0.01 -0.05 -0.04 7.69 7.65 2j9nA1 CYS 131 H -0.02 0.68 0.31 -0.55 8.50 8.93 2j9nA1 CYS 131 HA -0.01 0.16 0.96 -0.75 4.58 4.94 2j9nA1 CYS 131 HB2 -0.04 0.03 -0.07 -0.04 2.97 2.85 2j9nA1 CYS 131 HB3 -0.03 -0.02 -0.22 -0.04 2.97 2.66 2j9nA1 LEU 132 H 0.02 0.66 0.36 -0.55 8.37 8.86 2j9nA1 LEU 132 HA 0.05 0.31 1.06 -0.75 4.35 5.02 2j9nA1 LEU 132 HB2 0.07 -0.01 0.05 -0.04 1.64 1.71 2j9nA1 LEU 132 HB3 0.08 -0.07 0.20 -0.04 1.64 1.81 2j9nA1 LEU 132 HG 0.01 0.03 -0.27 -0.04 1.64 1.38 2j9nA1 LEU 132 HD13 0.07 0.02 -0.08 -0.04 0.93 0.91 2j9nA1 LEU 132 HD23 0.07 -0.01 -0.06 -0.04 0.89 0.85 2j9nA1 ILE 133 H 0.01 0.78 0.37 -0.55 8.25 8.86 2j9nA1 ILE 133 HA 0.00 0.39 0.98 -0.75 4.18 4.79 2j9nA1 ILE 133 HB 0.01 -0.02 0.01 -0.04 1.89 1.86 2j9nA1 ILE 133 HG12 -0.14 -0.01 -0.18 -0.04 1.49 1.12 2j9nA1 ILE 133 HG13 -0.05 0.02 -0.29 -0.04 1.21 0.84 2j9nA1 ILE 133 HG23 0.07 0.01 -0.11 -0.04 0.93 0.86 2j9nA1 ILE 133 HD13 -0.19 -0.02 -0.21 -0.04 0.88 0.41 2j9nA1 SER 134 H -0.01 0.39 0.27 -0.55 8.46 8.57 2j9nA1 SER 134 HA -0.17 0.29 1.05 -0.75 4.49 4.91 2j9nA1 SER 134 HB2 -0.30 0.01 0.11 -0.04 3.95 3.73 2j9nA1 SER 134 HB3 -0.17 -0.03 -0.12 -0.04 3.93 3.56 2j9nA1 GLY 135 H -0.35 0.61 0.39 -0.55 8.43 8.53 2j9nA1 GLY 135 HA2 -0.29 0.02 0.41 -0.51 4.01 3.64 2j9nA1 GLY 135 HA3 -0.04 0.07 0.62 -0.51 4.01 4.14 2j9nA1 TRP 136 H 0.28 0.20 0.08 -0.55 7.97 7.99 2j9nA1 TRP 136 HA -0.07 0.20 0.70 -0.75 4.62 4.70 2j9nA1 TRP 136 HB2 -0.78 -0.02 0.05 -0.04 3.23 2.45 2j9nA1 TRP 136 HB3 -0.30 0.10 0.13 -0.04 3.23 3.12 2j9nA1 TRP 136 HD1 -0.09 0.08 -0.53 -0.04 7.22 6.63 2j9nA1 TRP 136 HE1 -0.06 0.30 -0.06 -0.04 10.20 10.34 2j9nA1 TRP 136 HE3 -0.06 0.05 0.00 -0.04 7.59 7.54 2j9nA1 TRP 136 HZ2 -0.04 0.05 -0.29 -0.04 7.44 7.11 2j9nA1 TRP 136 HZ3 0.01 0.13 -0.38 -0.04 7.13 6.85 2j9nA1 TRP 136 HH2 -0.03 0.04 -0.20 -0.04 7.19 6.96 2j9nA1 GLY 137 H 0.11 0.02 -0.49 -0.55 8.43 7.52 2j9nA1 GLY 137 HA2 0.38 0.03 0.35 -0.51 4.01 4.26 2j9nA1 GLY 137 HA3 0.17 -0.08 -0.03 -0.51 4.01 3.56 2j9nA1 ASN 138 H -0.03 0.43 0.13 -0.55 8.53 8.51 2j9nA1 ASN 138 HA -0.65 0.04 0.34 -0.75 4.76 3.74 2j9nA1 ASN 138 HB2 -0.44 -0.00 0.11 -0.04 2.88 2.51 2j9nA1 ASN 138 HB3 -0.13 -0.04 0.02 -0.04 2.79 2.60 2j9nA1 ASN 138 HD21 -0.07 0.33 0.15 -0.04 7.03 7.40 2j9nA1 ASN 138 HD22 -0.06 -0.07 0.02 -0.04 7.74 7.59 2j9nA1 THR 139 H -0.18 0.41 0.29 -0.55 8.28 8.25 2j9nA1 THR 139 HA -0.05 0.49 0.57 -0.75 4.39 4.65 2j9nA1 THR 139 HB -0.03 -0.13 0.19 -0.04 4.32 4.31 2j9nA1 THR 139 HG23 -0.04 0.07 -0.00 -0.04 1.22 1.21 2j9nA1 LYS 140 H -0.10 0.03 -0.16 -0.55 8.42 7.64 2j9nA1 LYS 140 HA -0.02 0.18 0.93 -0.75 4.32 4.66 2j9nA1 LYS 140 HB2 -0.05 0.01 -0.46 -0.04 1.87 1.33 2j9nA1 LYS 140 HB3 -0.02 0.15 -0.26 -0.04 1.79 1.62 2j9nA1 LYS 140 HG2 -0.02 0.00 -0.24 -0.04 1.46 1.15 2j9nA1 LYS 140 HG3 -0.05 0.00 -0.28 -0.04 1.46 1.10 2j9nA1 LYS 140 HD2 -0.01 -0.12 -0.28 -0.04 1.69 1.23 2j9nA1 LYS 140 HD3 -0.01 0.18 -0.06 -0.04 1.68 1.75 2j9nA1 LYS 140 HE2 -0.01 0.02 -0.06 -0.04 2.99 2.91 2j9nA1 LYS 140 HE3 -0.01 -0.02 -0.12 -0.04 2.99 2.80 2j9nA1 SER 141 H -0.01 0.13 0.08 -0.55 8.46 8.12 2j9nA1 SER 141 HA 0.01 0.15 0.60 -0.75 4.49 4.49 2j9nA1 SER 141 HB2 0.01 0.09 0.05 -0.04 3.95 4.06 2j9nA1 SER 141 HB3 0.01 -0.02 -0.01 -0.04 3.93 3.87 2j9nA1 SER 142 H -0.00 0.12 -0.02 -0.55 8.46 8.02 2j9nA1 SER 142 HA 0.01 0.13 0.53 -0.75 4.49 4.41 2j9nA1 SER 142 HB2 0.01 0.00 0.02 -0.04 3.95 3.94 2j9nA1 SER 142 HB3 0.01 0.00 0.03 -0.04 3.93 3.93 2j9nA1 GLY 143 H 0.01 0.14 0.04 -0.55 8.43 8.08 2j9nA1 GLY 143 HA2 0.01 0.03 0.29 -0.51 4.01 3.83 2j9nA1 GLY 143 HA3 0.00 0.16 0.73 -0.51 4.01 4.39 2j9nA1 THR 144 H 0.01 0.24 0.10 -0.55 8.28 8.08 2j9nA1 THR 144 HA -0.07 0.14 0.84 -0.75 4.39 4.54 2j9nA1 THR 144 HB 0.07 -0.01 0.04 -0.04 4.32 4.39 2j9nA1 THR 144 HG23 0.19 0.00 -0.14 -0.04 1.22 1.23 2j9nA1 SER 145 H -0.19 0.17 0.06 -0.55 8.46 7.95 2j9nA1 SER 145 HA 0.04 0.12 0.52 -0.75 4.49 4.41 2j9nA1 SER 145 HB2 -0.01 0.07 -0.13 -0.04 3.95 3.84 2j9nA1 SER 145 HB3 -0.04 -0.05 0.01 -0.04 3.93 3.81 2j9nA1 TYR 146 H 0.20 0.18 0.06 -0.55 8.29 8.18 2j9nA1 TYR 146 HA 0.06 0.28 0.67 -0.75 4.56 4.82 2j9nA1 TYR 146 HB2 0.05 -0.09 0.08 -0.04 3.06 3.07 2j9nA1 TYR 146 HB3 0.07 0.18 -0.05 -0.04 2.98 3.14 2j9nA1 TYR 146 HD2 0.08 0.15 -0.07 -0.04 7.15 7.26 2j9nA1 TYR 146 HE2 0.08 0.01 -0.06 -0.04 6.85 6.84 2j9nA1 PRO 147 HA 0.09 -0.02 0.44 -0.51 4.44 4.44 2j9nA1 PRO 147 HB2 0.09 0.05 -0.02 -0.04 2.28 2.36 2j9nA1 PRO 147 HB3 0.04 -0.00 0.03 -0.04 2.02 2.04 2j9nA1 PRO 147 HG2 0.19 -0.05 -0.04 -0.04 2.03 2.08 2j9nA1 PRO 147 HG3 0.02 0.13 -0.02 -0.04 2.03 2.12 2j9nA1 PRO 147 HD2 0.20 0.26 -0.06 -0.04 3.68 4.04 2j9nA1 PRO 147 HD3 0.02 0.23 0.12 -0.04 3.65 3.98 2j9nA1 ASP 148 H 0.10 0.05 0.19 -0.55 8.40 8.19 2j9nA1 ASP 148 HA 0.10 0.19 0.80 -0.75 4.63 4.97 2j9nA1 ASP 148 HB2 0.07 -0.01 0.11 -0.04 2.71 2.84 2j9nA1 ASP 148 HB3 0.06 -0.15 0.07 -0.04 2.70 2.63 2j9nA1 VAL 149 H 0.13 0.02 0.06 -0.55 8.24 7.90 2j9nA1 VAL 149 HA 0.32 0.32 0.71 -0.75 4.13 4.73 2j9nA1 VAL 149 HB 0.06 -0.06 -0.01 -0.04 2.12 2.07 2j9nA1 VAL 149 HG13 0.08 -0.02 -0.10 -0.04 0.97 0.89 2j9nA1 VAL 149 HG23 0.02 0.02 -0.11 -0.04 0.95 0.84 2j9nA1 LEU 150 H 0.01 0.01 0.05 -0.55 8.37 7.90 2j9nA1 LEU 150 HA -1.21 0.14 0.18 -0.75 4.35 2.71 2j9nA1 LEU 150 HB2 -0.51 0.09 0.07 -0.04 1.64 1.25 2j9nA1 LEU 150 HB3 -0.30 -0.14 0.09 -0.04 1.64 1.26 2j9nA1 LEU 150 HG -0.56 0.09 -0.18 -0.04 1.64 0.95 2j9nA1 LEU 150 HD13 -1.76 0.02 -0.11 -0.04 0.93 -0.96 2j9nA1 LEU 150 HD23 -0.37 0.00 -0.01 -0.04 0.89 0.47 2j9nA1 LYS 151 H -0.51 0.51 0.33 -0.55 8.42 8.20 2j9nA1 LYS 151 HA -0.27 0.12 0.99 -0.75 4.32 4.41 2j9nA1 LYS 151 HB2 -0.18 0.17 0.13 -0.04 1.87 1.95 2j9nA1 LYS 151 HB3 -0.16 -0.03 0.01 -0.04 1.79 1.57 2j9nA1 LYS 151 HG2 -0.12 0.09 -0.08 -0.04 1.46 1.31 2j9nA1 LYS 151 HG3 -0.07 0.12 -0.05 -0.04 1.46 1.41 2j9nA1 LYS 151 HD2 -0.07 -0.02 -0.30 -0.04 1.69 1.26 2j9nA1 LYS 151 HD3 -0.11 -0.05 -0.27 -0.04 1.68 1.21 2j9nA1 LYS 151 HE2 -0.02 -0.09 -0.13 -0.04 2.99 2.71 2j9nA1 LYS 151 HE3 -0.02 0.06 -0.09 -0.04 2.99 2.90 2j9nA1 CYS 152 H -0.47 0.66 0.41 -0.55 8.50 8.56 2j9nA1 CYS 152 HA -0.29 0.29 1.07 -0.75 4.58 4.90 2j9nA1 CYS 152 HB2 -1.35 0.05 -0.02 -0.04 2.97 1.60 2j9nA1 CYS 152 HB3 -0.72 -0.01 -0.08 -0.04 2.97 2.11 2j9nA1 LEU 153 H -0.08 0.53 0.32 -0.55 8.37 8.59 2j9nA1 LEU 153 HA 0.15 0.09 0.70 -0.75 4.35 4.54 2j9nA1 LEU 153 HB2 0.03 0.07 -0.26 -0.04 1.64 1.43 2j9nA1 LEU 153 HB3 0.03 -0.07 -0.07 -0.04 1.64 1.49 2j9nA1 LEU 153 HG 0.15 -0.00 -0.56 -0.04 1.64 1.19 2j9nA1 LEU 153 HD13 0.12 0.00 -0.08 -0.04 0.93 0.94 2j9nA1 LEU 153 HD23 0.13 0.00 -0.35 -0.04 0.89 0.63 2j9nA1 LYS 154 H 0.22 0.18 0.11 -0.55 8.42 8.38 2j9nA1 LYS 154 HA 0.10 0.41 1.05 -0.75 4.32 5.12 2j9nA1 LYS 154 HB2 0.12 -0.00 0.14 -0.04 1.87 2.08 2j9nA1 LYS 154 HB3 0.09 -0.01 0.01 -0.04 1.79 1.83 2j9nA1 LYS 154 HG2 0.17 -0.00 -0.09 -0.04 1.46 1.50 2j9nA1 LYS 154 HG3 0.11 0.00 -0.01 -0.04 1.46 1.52 2j9nA1 LYS 154 HD2 0.02 -0.01 -0.03 -0.04 1.69 1.63 2j9nA1 LYS 154 HD3 0.05 0.01 -0.08 -0.04 1.68 1.63 2j9nA1 LYS 154 HE2 0.10 -0.00 -0.07 -0.04 2.99 2.98 2j9nA1 LYS 154 HE3 -0.02 0.01 -0.05 -0.04 2.99 2.89 2j9nA1 ALA 155 H 0.04 0.58 0.24 -0.55 8.40 8.72 2j9nA1 ALA 155 HA -0.00 0.21 0.79 -0.75 4.34 4.58 2j9nA1 ALA 155 HB3 0.01 -0.01 -0.21 -0.04 1.41 1.16 2j9nA1 PRO 156 HA -0.07 0.36 0.78 -0.51 4.44 5.00 2j9nA1 PRO 156 HB2 -0.09 0.05 -0.12 -0.04 2.28 2.07 2j9nA1 PRO 156 HB3 -0.07 0.05 -0.09 -0.04 2.02 1.87 2j9nA1 PRO 156 HG2 -0.30 0.09 0.09 -0.04 2.03 1.87 2j9nA1 PRO 156 HG3 -0.23 0.03 0.05 -0.04 2.03 1.83 2j9nA1 PRO 156 HD2 -0.86 0.07 0.24 -0.04 3.68 3.09 2j9nA1 PRO 156 HD3 -0.35 0.17 0.11 -0.04 3.65 3.54 2j9nA1 ILE 157 H -0.06 0.52 0.20 -0.55 8.25 8.36 2j9nA1 ILE 157 HA 0.05 0.14 0.61 -0.75 4.18 4.22 2j9nA1 ILE 157 HB -0.09 -0.12 0.15 -0.04 1.89 1.79 2j9nA1 ILE 157 HG12 -0.10 0.00 0.06 -0.04 1.49 1.40 2j9nA1 ILE 157 HG13 -0.22 0.00 -0.13 -0.04 1.21 0.81 2j9nA1 ILE 157 HG23 -0.12 0.03 -0.19 -0.04 0.93 0.60 2j9nA1 ILE 157 HD13 -0.25 -0.01 -0.15 -0.04 0.88 0.43 2j9nA1 LEU 158 H 0.07 0.67 0.28 -0.55 8.37 8.85 2j9nA1 LEU 158 HA -0.01 0.09 0.78 -0.75 4.35 4.45 2j9nA1 LEU 158 HB2 0.05 0.01 -0.09 -0.04 1.64 1.57 2j9nA1 LEU 158 HB3 0.01 -0.08 0.01 -0.04 1.64 1.54 2j9nA1 LEU 158 HG -0.02 0.06 -0.23 -0.04 1.64 1.41 2j9nA1 LEU 158 HD13 0.00 -0.01 -0.35 -0.04 0.93 0.53 2j9nA1 LEU 158 HD23 -0.05 0.03 -0.08 -0.04 0.89 0.75 2j9nA1 SER 159 H 0.00 0.12 0.14 -0.55 8.46 8.18 2j9nA1 SER 159 HA 0.01 0.12 0.51 -0.75 4.49 4.38 2j9nA1 SER 159 HB2 0.01 -0.00 0.15 -0.04 3.95 4.07 2j9nA1 SER 159 HB3 0.00 0.12 0.15 -0.04 3.93 4.17 2j9nA1 ASP 160 H 0.02 0.19 0.21 -0.55 8.40 8.27 2j9nA1 ASP 160 HA 0.06 0.12 0.47 -0.75 4.63 4.53 2j9nA1 ASP 160 HB2 0.03 0.07 0.18 -0.04 2.71 2.95 2j9nA1 ASP 160 HB3 0.02 -0.04 0.14 -0.04 2.70 2.79 2j9nA1 SER 161 H 0.02 0.07 -0.13 -0.55 8.46 7.87 2j9nA1 SER 161 HA 0.03 0.12 0.37 -0.75 4.49 4.25 2j9nA1 SER 161 HB2 0.01 0.00 0.09 -0.04 3.95 4.01 2j9nA1 SER 161 HB3 0.01 0.00 0.05 -0.04 3.93 3.95 2j9nA1 SER 162 H 0.02 0.02 -0.25 -0.55 8.46 7.70 2j9nA1 SER 162 HA 0.01 0.10 0.42 -0.75 4.49 4.26 2j9nA1 SER 162 HB2 0.01 0.02 0.07 -0.04 3.95 4.01 2j9nA1 SER 162 HB3 0.01 0.06 -0.07 -0.04 3.93 3.88 2j9nA1 CYS 163 H 0.04 0.44 -0.25 -0.55 8.50 8.19 2j9nA1 CYS 163 HA 0.07 0.06 0.37 -0.75 4.58 4.34 2j9nA1 CYS 163 HB2 0.07 0.01 0.04 -0.04 2.97 3.05 2j9nA1 CYS 163 HB3 0.07 0.11 0.12 -0.04 2.97 3.23 2j9nA1 LYS 164 H 0.06 0.57 -0.11 -0.55 8.42 8.39 2j9nA1 LYS 164 HA 0.11 0.04 0.31 -0.75 4.32 4.02 2j9nA1 LYS 164 HB2 0.05 0.05 0.10 -0.04 1.87 2.03 2j9nA1 LYS 164 HB3 0.06 -0.06 0.02 -0.04 1.79 1.76 2j9nA1 LYS 164 HG2 0.08 -0.02 0.03 -0.04 1.46 1.51 2j9nA1 LYS 164 HG3 0.06 0.07 0.05 -0.04 1.46 1.60 2j9nA1 LYS 164 HD2 0.04 -0.06 -0.10 -0.04 1.69 1.52 2j9nA1 LYS 164 HD3 0.04 -0.02 -0.01 -0.04 1.68 1.64 2j9nA1 LYS 164 HE2 0.05 0.11 -0.03 -0.04 2.99 3.08 2j9nA1 LYS 164 HE3 0.06 0.01 -0.09 -0.04 2.99 2.93 2j9nA1 SER 165 H 0.03 0.43 -0.25 -0.55 8.46 8.12 2j9nA1 SER 165 HA 0.02 0.01 0.50 -0.75 4.49 4.26 2j9nA1 SER 165 HB2 -0.00 0.05 0.13 -0.04 3.95 4.09 2j9nA1 SER 165 HB3 -0.01 -0.03 0.03 -0.04 3.93 3.89 2j9nA1 ALA 166 H -0.01 0.35 -0.28 -0.55 8.40 7.91 2j9nA1 ALA 166 HA -0.16 0.05 0.53 -0.75 4.34 4.01 2j9nA1 ALA 166 HB3 -0.24 0.02 0.11 -0.04 1.41 1.26 2j9nA1 TYR 167 H 0.11 0.32 -0.28 -0.55 8.29 7.88 2j9nA1 TYR 167 HA 0.09 0.21 0.82 -0.75 4.56 4.93 2j9nA1 TYR 167 HB2 0.08 -0.04 0.05 -0.04 3.06 3.11 2j9nA1 TYR 167 HB3 0.29 -0.07 0.01 -0.04 2.98 3.17 2j9nA1 TYR 167 HD2 0.08 0.02 -0.07 -0.04 7.15 7.13 2j9nA1 TYR 167 HE2 -0.03 -0.01 -0.08 -0.04 6.85 6.69 2j9nA1 PRO 168 HA 0.08 0.02 0.43 -0.51 4.44 4.47 2j9nA1 PRO 168 HB2 0.04 -0.05 0.01 -0.04 2.28 2.25 2j9nA1 PRO 168 HB3 0.04 0.03 0.11 -0.04 2.02 2.16 2j9nA1 PRO 168 HG2 0.05 -0.03 0.07 -0.04 2.03 2.07 2j9nA1 PRO 168 HG3 0.02 0.04 0.06 -0.04 2.03 2.11 2j9nA1 PRO 168 HD2 0.05 0.11 0.02 -0.04 3.68 3.82 2j9nA1 PRO 168 HD3 0.01 0.36 -0.39 -0.04 3.65 3.59 2j9nA1 GLY 169 H 0.07 0.09 0.23 -0.55 8.43 8.28 2j9nA1 GLY 169 HA2 0.05 -0.04 0.34 -0.51 4.01 3.85 2j9nA1 GLY 169 HA3 0.04 0.09 0.46 -0.51 4.01 4.09 2j9nA1 GLN 170 H 0.14 0.22 -0.04 -0.55 8.47 8.25 2j9nA1 GLN 170 HA 0.06 0.17 0.88 -0.75 4.36 4.71 2j9nA1 GLN 170 HB2 0.36 0.14 -0.13 -0.04 2.15 2.49 2j9nA1 GLN 170 HB3 0.21 -0.06 -0.03 -0.04 2.02 2.11 2j9nA1 GLN 170 HG2 0.01 -0.04 -0.14 -0.04 2.40 2.18 2j9nA1 GLN 170 HG3 0.10 0.08 -0.58 -0.04 2.39 1.95 2j9nA1 GLN 170 HE21 0.22 -0.03 -0.07 -0.04 6.97 7.05 2j9nA1 GLN 170 HE22 0.15 0.48 -0.22 -0.04 7.69 8.06 2j9nA1 ILE 171 H 0.14 0.05 0.10 -0.55 8.25 8.00 2j9nA1 ILE 171 HA 0.20 0.12 0.73 -0.75 4.18 4.48 2j9nA1 ILE 171 HB 0.11 -0.06 0.09 -0.04 1.89 1.99 2j9nA1 ILE 171 HG12 0.22 0.15 -0.06 -0.04 1.49 1.76 2j9nA1 ILE 171 HG13 0.13 -0.03 -0.37 -0.04 1.21 0.90 2j9nA1 ILE 171 HG23 0.08 -0.01 -0.19 -0.04 0.93 0.76 2j9nA1 ILE 171 HD13 -0.01 0.02 -0.23 -0.04 0.88 0.63 2j9nA1 THR 172 H 0.12 0.15 0.11 -0.55 8.28 8.12 2j9nA1 THR 172 HA 0.06 0.23 0.77 -0.75 4.39 4.68 2j9nA1 THR 172 HB 0.04 -0.04 0.15 -0.04 4.32 4.42 2j9nA1 THR 172 HG23 0.04 0.06 -0.08 -0.04 1.22 1.21 2j9nA1 SER 173 H 0.04 0.18 0.16 -0.55 8.46 8.28 2j9nA1 SER 173 HA 0.05 0.15 0.46 -0.75 4.49 4.39 2j9nA1 SER 173 HB2 0.01 0.03 0.14 -0.04 3.95 4.09 2j9nA1 SER 173 HB3 0.02 0.03 0.15 -0.04 3.93 4.09 2j9nA1 ASN 174 H 0.07 -0.02 -0.49 -0.55 8.53 7.55 2j9nA1 ASN 174 HA 0.08 0.23 0.79 -0.75 4.76 5.11 2j9nA1 ASN 174 HB2 0.12 -0.06 0.09 -0.04 2.88 2.98 2j9nA1 ASN 174 HB3 0.26 -0.04 0.22 -0.04 2.79 3.19 2j9nA1 ASN 174 HD21 -0.02 0.08 -0.03 -0.04 7.03 7.02 2j9nA1 ASN 174 HD22 0.04 -0.05 0.00 -0.04 7.74 7.69 2j9nA1 MET 175 H 0.11 0.48 -0.26 -0.55 8.47 8.25 2j9nA1 MET 175 HA 0.07 0.31 1.03 -0.75 4.52 5.17 2j9nA1 MET 175 HB2 0.09 0.05 0.05 -0.04 2.15 2.29 2j9nA1 MET 175 HB3 -0.02 0.04 -0.02 -0.04 2.03 1.99 2j9nA1 MET 175 HG2 0.16 0.08 -0.14 -0.04 2.63 2.70 2j9nA1 MET 175 HG3 0.14 -0.26 -0.36 -0.04 2.56 2.03 2j9nA1 MET 175 HE3 0.16 0.06 -0.18 -0.04 2.10 2.10 2j9nA1 PHE 176 H -0.19 0.58 0.33 -0.55 8.34 8.50 2j9nA1 PHE 176 HA 0.02 0.12 0.56 -0.75 4.62 4.56 2j9nA1 PHE 176 HB2 0.02 0.05 0.11 -0.04 3.15 3.29 2j9nA1 PHE 176 HB3 0.03 0.02 -0.05 -0.04 3.06 3.02 2j9nA1 PHE 176 HD2 0.04 0.08 -0.31 -0.04 7.28 7.05 2j9nA1 PHE 176 HE2 -0.06 0.12 -0.19 -0.04 7.38 7.21 2j9nA1 PHE 176 HZ -0.09 -0.07 -0.30 -0.04 7.32 6.82 2j9nA1 CYS 177 H 0.18 0.14 0.11 -0.55 8.50 8.39 2j9nA1 CYS 177 HA -0.01 0.46 1.05 -0.75 4.58 5.32 2j9nA1 CYS 177 HB2 0.08 -0.11 0.03 -0.04 2.97 2.92 2j9nA1 CYS 177 HB3 0.06 0.03 -0.10 -0.04 2.97 2.92 2j9nA1 ALA 178 H 0.22 0.64 0.21 -0.55 8.40 8.92 2j9nA1 ALA 178 HA 0.05 0.19 0.66 -0.75 4.34 4.48 2j9nA1 ALA 178 HB3 -0.00 -0.01 -0.24 -0.04 1.41 1.11 2j9nA1 GLY 179 H -0.16 0.63 0.18 -0.55 8.43 8.53 2j9nA1 GLY 179 HA2 -0.21 0.04 0.28 -0.51 4.01 3.62 2j9nA1 GLY 179 HA3 0.02 0.10 0.97 -0.51 4.01 4.59 2j9nA1 TYR 180 H 0.11 0.30 0.13 -0.55 8.29 8.28 2j9nA1 TYR 180 HA 0.02 0.11 0.80 -0.75 4.56 4.74 2j9nA1 TYR 180 HB2 0.02 0.06 0.09 -0.04 3.06 3.19 2j9nA1 TYR 180 HB3 0.01 -0.02 0.01 -0.04 2.98 2.94 2j9nA1 TYR 180 HD2 0.02 0.03 -0.01 -0.04 7.15 7.15 2j9nA1 TYR 180 HE2 0.02 0.05 0.01 -0.04 6.85 6.89 2j9nA1 LEU 181 H 0.06 0.20 0.15 -0.55 8.37 8.23 2j9nA1 LEU 181 HA 0.03 0.10 0.43 -0.75 4.35 4.15 2j9nA1 LEU 181 HB2 0.03 0.01 0.10 -0.04 1.64 1.74 2j9nA1 LEU 181 HB3 0.01 0.05 0.10 -0.04 1.64 1.75 2j9nA1 LEU 181 HG 0.01 -0.03 0.03 -0.04 1.64 1.60 2j9nA1 LEU 181 HD13 -0.00 0.00 0.00 -0.04 0.93 0.90 2j9nA1 LEU 181 HD23 -0.01 0.02 -0.11 -0.04 0.89 0.74 2j9nA1 GLU 182 H 0.10 0.04 -0.22 -0.55 8.60 7.98 2j9nA1 GLU 182 HA 0.03 0.08 0.52 -0.75 4.29 4.16 2j9nA1 GLU 182 HB2 0.02 0.04 0.10 -0.04 2.09 2.21 2j9nA1 GLU 182 HB3 0.04 -0.05 0.08 -0.04 1.99 2.01 2j9nA1 GLU 182 HG2 0.05 0.20 -0.08 -0.04 2.34 2.47 2j9nA1 GLU 182 HG3 0.01 0.03 -0.02 -0.04 2.34 2.32 2j9nA1 GLY 183 H 0.09 0.24 -0.53 -0.55 8.43 7.67 2j9nA1 GLY 183 HA2 0.06 0.05 -0.06 -0.51 4.01 3.55 2j9nA1 GLY 183 HA3 0.03 0.13 0.34 -0.51 4.01 4.00 2j9nA1 GLY 184 H 0.03 0.53 0.17 -0.55 8.43 8.61 2j9nA1 GLY 184 HA2 -0.00 -0.00 0.34 -0.51 4.01 3.83 2j9nA1 GLY 184 HA3 -0.02 0.15 0.53 -0.51 4.01 4.16 2j9nA1 LYS 185 H 0.05 0.13 -0.38 -0.55 8.42 7.66 2j9nA1 LYS 185 HA 0.03 0.43 0.75 -0.75 4.32 4.77 2j9nA1 LYS 185 HB2 -0.06 -0.13 0.04 -0.04 1.87 1.68 2j9nA1 LYS 185 HB3 0.07 0.02 -0.03 -0.04 1.79 1.81 2j9nA1 LYS 185 HG2 -0.07 0.24 0.08 -0.04 1.46 1.67 2j9nA1 LYS 185 HG3 -0.18 -0.09 -0.32 -0.04 1.46 0.83 2j9nA1 LYS 185 HD2 -0.85 -0.10 -0.01 -0.04 1.69 0.69 2j9nA1 LYS 185 HD3 -0.19 0.02 0.03 -0.04 1.68 1.50 2j9nA1 LYS 185 HE2 -0.18 -0.07 0.03 -0.04 2.99 2.73 2j9nA1 LYS 185 HE3 -0.10 0.20 0.08 -0.04 2.99 3.14 2j9nA1 ASP 186 H 0.07 0.70 0.22 -0.55 8.40 8.84 2j9nA1 ASP 186 HA 0.13 -0.01 0.55 -0.75 4.63 4.55 2j9nA1 ASP 186 HB2 0.08 -0.01 -0.41 -0.04 2.71 2.33 2j9nA1 ASP 186 HB3 0.06 0.07 -0.14 -0.04 2.70 2.65 2j9nA1 SER 187 H 0.14 0.06 0.08 -0.55 8.46 8.18 2j9nA1 SER 187 HA 0.06 0.21 0.65 -0.75 4.49 4.67 2j9nA1 SER 187 HB2 0.11 -0.03 0.02 -0.04 3.95 4.01 2j9nA1 SER 187 HB3 0.15 0.02 -0.03 -0.04 3.93 4.03 2j9nA1 CYS 188 H 0.07 0.21 0.06 -0.55 8.50 8.29 2j9nA1 CYS 188 HA 0.05 0.13 0.48 -0.75 4.58 4.48 2j9nA1 CYS 188 HB2 0.02 0.05 -0.70 -0.04 2.97 2.31 2j9nA1 CYS 188 HB3 0.02 0.24 -0.22 -0.04 2.97 2.97 2j9nA1 GLN 189 H 0.09 0.19 0.07 -0.55 8.47 8.28 2j9nA1 GLN 189 HA 0.16 0.01 0.43 -0.75 4.36 4.21 2j9nA1 GLN 189 HB2 0.16 0.01 0.13 -0.04 2.15 2.41 2j9nA1 GLN 189 HB3 0.21 0.07 0.01 -0.04 2.02 2.27 2j9nA1 GLN 189 HG2 0.12 0.04 0.04 -0.04 2.40 2.56 2j9nA1 GLN 189 HG3 0.13 0.02 0.06 -0.04 2.39 2.56 2j9nA1 GLN 189 HE21 0.07 0.06 -0.02 -0.04 6.97 7.05 2j9nA1 GLN 189 HE22 0.08 0.02 0.02 -0.04 7.69 7.77 2j9nA1 GLY 190 H 0.22 0.16 0.20 -0.55 8.43 8.46 2j9nA1 GLY 190 HA2 0.27 0.17 0.26 -0.51 4.01 4.19 2j9nA1 GLY 190 HA3 0.41 0.17 0.63 -0.51 4.01 4.71 2j9nA1 ASP 191 H 0.18 0.59 -0.23 -0.55 8.40 8.39 2j9nA1 ASP 191 HA 0.18 0.04 0.71 -0.75 4.63 4.81 2j9nA1 ASP 191 HB2 0.11 0.08 0.08 -0.04 2.71 2.95 2j9nA1 ASP 191 HB3 0.10 -0.01 0.01 -0.04 2.70 2.76 2j9nA1 SER 192 H 0.16 -0.01 -0.03 -0.55 8.46 8.03 2j9nA1 SER 192 HA 0.14 0.08 0.31 -0.75 4.49 4.26 2j9nA1 SER 192 HB2 0.12 0.02 0.10 -0.04 3.95 4.15 2j9nA1 SER 192 HB3 -0.03 0.04 0.02 -0.04 3.93 3.93 2j9nA1 GLY 193 H 0.05 0.68 0.32 -0.55 8.43 8.94 2j9nA1 GLY 193 HA2 -0.00 -0.15 0.45 -0.51 4.01 3.79 2j9nA1 GLY 193 HA3 -0.03 0.24 0.74 -0.51 4.01 4.45 2j9nA1 GLY 194 H 0.09 0.43 -0.17 -0.55 8.43 8.23 2j9nA1 GLY 194 HA2 0.10 0.06 0.33 -0.51 4.01 3.99 2j9nA1 GLY 194 HA3 0.09 0.19 0.43 -0.51 4.01 4.21 2j9nA1 PRO 195 HA 0.10 0.20 0.49 -0.51 4.44 4.72 2j9nA1 PRO 195 HB2 0.21 -0.00 -0.15 -0.04 2.28 2.30 2j9nA1 PRO 195 HB3 0.22 0.03 0.02 -0.04 2.02 2.24 2j9nA1 PRO 195 HG2 0.12 -0.03 0.14 -0.04 2.03 2.22 2j9nA1 PRO 195 HG3 0.24 0.02 0.06 -0.04 2.03 2.30 2j9nA1 PRO 195 HD2 0.06 0.22 0.31 -0.04 3.68 4.23 2j9nA1 PRO 195 HD3 0.12 0.23 0.21 -0.04 3.65 4.17 2j9nA1 VAL 196 H 0.06 0.60 0.20 -0.55 8.24 8.55 2j9nA1 VAL 196 HA -0.02 0.28 0.58 -0.75 4.13 4.21 2j9nA1 VAL 196 HB 0.06 -0.18 0.12 -0.04 2.12 2.09 2j9nA1 VAL 196 HG13 -0.07 0.00 -0.25 -0.04 0.97 0.61 2j9nA1 VAL 196 HG23 -0.37 0.02 -0.33 -0.04 0.95 0.22 2j9nA1 VAL 197 H 0.02 0.70 0.18 -0.55 8.24 8.59 2j9nA1 VAL 197 HA -0.04 0.28 1.02 -0.75 4.13 4.63 2j9nA1 VAL 197 HB 0.06 0.05 0.13 -0.04 2.12 2.31 2j9nA1 VAL 197 HG13 -0.07 -0.01 -0.26 -0.04 0.97 0.58 2j9nA1 VAL 197 HG23 -0.31 0.00 -0.21 -0.04 0.95 0.39 2j9nA1 CYS 198 H -0.04 0.71 0.29 -0.55 8.50 8.91 2j9nA1 CYS 198 HA -0.03 0.18 0.93 -0.75 4.58 4.91 2j9nA1 CYS 198 HB2 -0.07 0.01 0.04 -0.04 2.97 2.91 2j9nA1 CYS 198 HB3 -0.06 0.03 -0.06 -0.04 2.97 2.85 2j9nA1 SER 199 H -0.02 0.25 0.14 -0.55 8.46 8.28 2j9nA1 SER 199 HA -0.01 0.06 0.35 -0.75 4.49 4.13 2j9nA1 SER 199 HB2 -0.02 0.00 0.04 -0.04 3.95 3.93 2j9nA1 SER 199 HB3 -0.03 0.00 -0.03 -0.04 3.93 3.83 2j9nA1 GLY 200 H -0.02 0.04 -0.31 -0.55 8.43 7.59 2j9nA1 GLY 200 HA2 -0.04 -0.00 0.20 -0.51 4.01 3.66 2j9nA1 GLY 200 HA3 -0.03 0.09 0.30 -0.51 4.01 3.86 2j9nA1 LYS 201 H -0.05 0.34 -0.38 -0.55 8.42 7.77 2j9nA1 LYS 201 HA -0.07 0.32 0.90 -0.75 4.32 4.72 2j9nA1 LYS 201 HB2 -0.04 -0.05 -0.11 -0.04 1.87 1.63 2j9nA1 LYS 201 HB3 -0.03 -0.00 -0.25 -0.04 1.79 1.47 2j9nA1 LYS 201 HG2 -0.03 0.21 -0.23 -0.04 1.46 1.36 2j9nA1 LYS 201 HG3 -0.03 -0.10 -0.07 -0.04 1.46 1.22 2j9nA1 LYS 201 HD2 -0.02 0.05 -0.22 -0.04 1.69 1.46 2j9nA1 LYS 201 HD3 -0.03 0.14 -0.26 -0.04 1.68 1.48 2j9nA1 LYS 201 HE2 -0.02 0.08 -0.04 -0.04 2.99 2.96 2j9nA1 LYS 201 HE3 -0.02 -0.10 -0.01 -0.04 2.99 2.82 2j9nA1 LEU 202 H -0.07 0.76 0.17 -0.55 8.37 8.69 2j9nA1 LEU 202 HA -0.05 0.06 0.70 -0.75 4.35 4.31 2j9nA1 LEU 202 HB2 -0.09 0.01 0.01 -0.04 1.64 1.54 2j9nA1 LEU 202 HB3 -0.01 0.01 0.16 -0.04 1.64 1.76 2j9nA1 LEU 202 HG 0.05 -0.05 -0.24 -0.04 1.64 1.36 2j9nA1 LEU 202 HD13 0.02 0.03 -0.01 -0.04 0.93 0.93 2j9nA1 LEU 202 HD23 0.05 -0.00 -0.08 -0.04 0.89 0.82 2j9nA1 GLN 203 H 0.01 0.46 0.45 -0.55 8.47 8.86 2j9nA1 GLN 203 HA 0.04 0.09 0.78 -0.75 4.36 4.52 2j9nA1 GLN 203 HB2 -0.04 0.05 0.04 -0.04 2.15 2.15 2j9nA1 GLN 203 HB3 -0.14 -0.11 0.05 -0.04 2.02 1.77 2j9nA1 GLN 203 HG2 -0.04 0.10 -0.21 -0.04 2.40 2.20 2j9nA1 GLN 203 HG3 -0.09 -0.04 -0.03 -0.04 2.39 2.19 2j9nA1 GLN 203 HE21 -0.05 0.55 -0.07 -0.04 6.97 7.36 2j9nA1 GLN 203 HE22 -0.05 0.02 -0.14 -0.04 7.69 7.48 2j9nA1 GLY 204 H 0.12 0.42 0.29 -0.55 8.43 8.72 2j9nA1 GLY 204 HA2 0.31 0.46 0.96 -0.51 4.01 5.23 2j9nA1 GLY 204 HA3 0.29 -0.03 0.24 -0.51 4.01 4.00 2j9nA1 ILE 205 H 0.13 0.29 0.24 -0.55 8.25 8.36 2j9nA1 ILE 205 HA 0.12 0.43 0.71 -0.75 4.18 4.68 2j9nA1 ILE 205 HB 0.07 -0.11 0.10 -0.04 1.89 1.92 2j9nA1 ILE 205 HG12 0.08 0.13 -0.18 -0.04 1.49 1.48 2j9nA1 ILE 205 HG13 0.10 -0.12 -0.46 -0.04 1.21 0.69 2j9nA1 ILE 205 HG23 0.06 0.09 -0.27 -0.04 0.93 0.77 2j9nA1 ILE 205 HD13 0.03 0.02 -0.09 -0.04 0.88 0.81 2j9nA1 VAL 206 H 0.16 0.65 0.03 -0.55 8.24 8.52 2j9nA1 VAL 206 HA 0.18 0.03 0.44 -0.75 4.13 4.03 2j9nA1 VAL 206 HB 0.13 -0.13 0.06 -0.04 2.12 2.13 2j9nA1 VAL 206 HG13 0.09 -0.01 -0.33 -0.04 0.97 0.67 2j9nA1 VAL 206 HG23 0.23 0.07 -0.16 -0.04 0.95 1.04 2j9nA1 SER 207 H -0.26 0.31 0.38 -0.55 8.46 8.35 2j9nA1 SER 207 HA 0.27 0.06 0.94 -0.75 4.49 5.01 2j9nA1 SER 207 HB2 0.07 -0.07 0.05 -0.04 3.95 3.96 2j9nA1 SER 207 HB3 -0.08 0.15 0.13 -0.04 3.93 4.10 2j9nA1 TRP 208 H -0.35 0.59 0.40 -0.55 7.97 8.05 2j9nA1 TRP 208 HA -0.14 0.12 0.62 -0.75 4.62 4.46 2j9nA1 TRP 208 HB2 -0.17 -0.01 0.17 -0.04 3.23 3.18 2j9nA1 TRP 208 HB3 -0.19 0.11 -0.23 -0.04 3.23 2.88 2j9nA1 TRP 208 HD1 -0.13 -0.10 -0.17 -0.04 7.22 6.78 2j9nA1 TRP 208 HE1 -0.14 -0.03 -0.09 -0.04 10.20 9.90 2j9nA1 TRP 208 HE3 -0.23 -0.02 -0.14 -0.04 7.59 7.16 2j9nA1 TRP 208 HZ2 -0.20 0.08 -0.13 -0.04 7.44 7.15 2j9nA1 TRP 208 HZ3 -0.40 0.01 -0.13 -0.04 7.13 6.57 2j9nA1 TRP 208 HH2 -0.34 0.01 -0.14 -0.04 7.19 6.68 2j9nA1 GLY 209 H 0.32 0.37 0.24 -0.55 8.43 8.82 2j9nA1 GLY 209 HA2 -0.34 0.08 0.27 -0.51 4.01 3.50 2j9nA1 GLY 209 HA3 -0.08 0.13 0.44 -0.51 4.01 4.00 2j9nA1 SER 210 H 0.33 0.24 0.03 -0.55 8.46 8.51 2j9nA1 SER 210 HA 0.20 0.06 0.85 -0.75 4.49 4.84 2j9nA1 SER 210 HB2 0.25 0.00 0.18 -0.04 3.95 4.33 2j9nA1 SER 210 HB3 0.16 0.00 0.04 -0.04 3.93 4.09 2j9nA1 GLY 211 H 0.10 0.12 0.13 -0.55 8.43 8.23 2j9nA1 GLY 211 HA2 0.06 0.00 0.30 -0.51 4.01 3.86 2j9nA1 GLY 211 HA3 0.06 0.08 0.58 -0.51 4.01 4.22 2j9nA1 CYS 212 H 0.04 0.29 0.16 -0.55 8.50 8.44 2j9nA1 CYS 212 HA 0.04 0.16 0.61 -0.75 4.58 4.63 2j9nA1 CYS 212 HB2 0.02 0.04 -0.02 -0.04 2.97 2.97 2j9nA1 CYS 212 HB3 0.03 0.11 -0.14 -0.04 2.97 2.94 2j9nA1 ALA 213 H 0.05 0.22 -0.00 -0.55 8.40 8.12 2j9nA1 ALA 213 HA 0.06 0.08 0.12 -0.75 4.34 3.85 2j9nA1 ALA 213 HB3 0.03 -0.02 -0.22 -0.04 1.41 1.16 2j9nA1 GLN 214 H 0.04 0.13 -0.42 -0.55 8.47 7.68 2j9nA1 GLN 214 HA 0.02 0.07 0.65 -0.75 4.36 4.35 2j9nA1 GLN 214 HB2 0.03 0.12 -0.00 -0.04 2.15 2.26 2j9nA1 GLN 214 HB3 0.02 0.03 0.01 -0.04 2.02 2.05 2j9nA1 GLN 214 HG2 0.04 -0.10 -0.08 -0.04 2.40 2.22 2j9nA1 GLN 214 HG3 0.04 0.02 0.01 -0.04 2.39 2.41 2j9nA1 GLN 214 HE21 0.02 -0.06 -0.07 -0.04 6.97 6.82 2j9nA1 GLN 214 HE22 0.02 0.30 -0.04 -0.04 7.69 7.93 2j9nA1 LYS 215 H 0.01 0.09 0.12 -0.55 8.42 8.09 2j9nA1 LYS 215 HA 0.02 0.11 0.20 -0.75 4.32 3.89 2j9nA1 LYS 215 HB2 0.01 0.04 0.10 -0.04 1.87 1.98 2j9nA1 LYS 215 HB3 0.00 -0.05 0.10 -0.04 1.79 1.80 2j9nA1 LYS 215 HG2 -0.00 -0.00 -0.12 -0.04 1.46 1.29 2j9nA1 LYS 215 HG3 0.01 0.07 0.10 -0.04 1.46 1.60 2j9nA1 LYS 215 HD2 0.00 0.02 0.04 -0.04 1.69 1.71 2j9nA1 LYS 215 HD3 0.00 -0.03 0.00 -0.04 1.68 1.61 2j9nA1 LYS 215 HE2 0.00 -0.03 0.00 -0.04 2.99 2.92 2j9nA1 LYS 215 HE3 -0.00 -0.01 -0.03 -0.04 2.99 2.92 2j9nA1 ASN 216 H -0.00 0.67 0.33 -0.55 8.53 8.98 2j9nA1 ASN 216 HA -0.04 -0.10 0.38 -0.75 4.76 4.25 2j9nA1 ASN 216 HB2 -0.05 0.16 -0.19 -0.04 2.88 2.76 2j9nA1 ASN 216 HB3 -0.08 0.02 0.21 -0.04 2.79 2.90 2j9nA1 ASN 216 HD21 -0.01 -0.05 -0.04 -0.04 7.03 6.89 2j9nA1 ASN 216 HD22 -0.02 0.05 -0.10 -0.04 7.74 7.62 2j9nA1 LYS 217 H -0.02 0.35 -0.55 -0.55 8.42 7.65 2j9nA1 LYS 217 HA -0.30 0.18 0.79 -0.75 4.32 4.24 2j9nA1 LYS 217 HB2 0.02 -0.04 -0.03 -0.04 1.87 1.78 2j9nA1 LYS 217 HB3 0.09 -0.11 0.12 -0.04 1.79 1.84 2j9nA1 LYS 217 HG2 -0.08 0.14 -0.37 -0.04 1.46 1.11 2j9nA1 LYS 217 HG3 -0.00 -0.08 -0.05 -0.04 1.46 1.29 2j9nA1 LYS 217 HD2 -0.19 -0.15 0.05 -0.04 1.69 1.35 2j9nA1 LYS 217 HD3 -0.51 0.26 0.14 -0.04 1.68 1.52 2j9nA1 LYS 217 HE2 -0.12 0.00 0.02 -0.04 2.99 2.85 2j9nA1 LYS 217 HE3 -0.04 -0.13 0.01 -0.04 2.99 2.79 2j9nA1 PRO 218 HA 0.06 0.05 0.43 -0.51 4.44 4.47 2j9nA1 PRO 218 HB2 0.05 0.13 -0.13 -0.04 2.28 2.28 2j9nA1 PRO 218 HB3 0.03 -0.10 -0.23 -0.04 2.02 1.67 2j9nA1 PRO 218 HG2 0.11 0.05 -0.15 -0.04 2.03 2.00 2j9nA1 PRO 218 HG3 0.02 -0.04 -0.18 -0.04 2.03 1.79 2j9nA1 PRO 218 HD2 -0.11 0.19 -0.03 -0.04 3.68 3.69 2j9nA1 PRO 218 HD3 -0.05 0.04 -0.36 -0.04 3.65 3.23 2j9nA1 GLY 219 H 0.06 0.18 0.29 -0.55 8.43 8.41 2j9nA1 GLY 219 HA2 -0.27 0.16 0.66 -0.51 4.01 4.05 2j9nA1 GLY 219 HA3 -0.15 -0.07 0.38 -0.51 4.01 3.66 2j9nA1 VAL 220 H -0.82 0.75 0.43 -0.55 8.24 8.06 2j9nA1 VAL 220 HA -0.58 0.25 1.01 -0.75 4.13 4.06 2j9nA1 VAL 220 HB -2.09 -0.10 0.02 -0.04 2.12 -0.09 2j9nA1 VAL 220 HG13 -0.68 -0.01 -0.13 -0.04 0.97 0.12 2j9nA1 VAL 220 HG23 -1.71 0.03 -0.19 -0.04 0.95 -0.97 2j9nA1 TYR 221 H -0.49 0.64 0.38 -0.55 8.29 8.26 2j9nA1 TYR 221 HA -0.25 0.20 1.02 -0.75 4.56 4.77 2j9nA1 TYR 221 HB2 -1.73 0.01 -0.04 -0.04 3.06 1.26 2j9nA1 TYR 221 HB3 -0.53 -0.06 -0.06 -0.04 2.98 2.28 2j9nA1 TYR 221 HD2 -0.29 0.08 -0.41 -0.04 7.15 6.50 2j9nA1 TYR 221 HE2 -0.07 0.07 -0.14 -0.04 6.85 6.67 2j9nA1 THR 222 H 0.02 0.47 0.34 -0.55 8.28 8.56 2j9nA1 THR 222 HA 0.09 0.19 0.74 -0.75 4.39 4.66 2j9nA1 THR 222 HB 0.06 -0.09 0.13 -0.04 4.32 4.38 2j9nA1 THR 222 HG23 -0.03 -0.01 -0.20 -0.04 1.22 0.94 2j9nA1 LYS 223 H 0.25 0.63 0.17 -0.55 8.42 8.92 2j9nA1 LYS 223 HA 0.49 0.18 0.56 -0.75 4.32 4.80 2j9nA1 LYS 223 HB2 0.33 0.03 -0.29 -0.04 1.87 1.90 2j9nA1 LYS 223 HB3 0.20 -0.05 0.13 -0.04 1.79 2.03 2j9nA1 LYS 223 HG2 0.11 -0.19 -0.08 -0.04 1.46 1.27 2j9nA1 LYS 223 HG3 0.18 0.02 -0.03 -0.04 1.46 1.59 2j9nA1 LYS 223 HD2 0.06 0.07 0.08 -0.04 1.69 1.86 2j9nA1 LYS 223 HD3 0.03 -0.06 0.01 -0.04 1.68 1.62 2j9nA1 LYS 223 HE2 0.14 -0.07 -0.09 -0.04 2.99 2.93 2j9nA1 LYS 223 HE3 0.18 -0.02 -0.24 -0.04 2.99 2.87 2j9nA1 VAL 224 H 0.28 0.68 0.23 -0.55 8.24 8.89 2j9nA1 VAL 224 HA 0.36 -0.02 0.05 -0.75 4.13 3.77 2j9nA1 VAL 224 HB 0.14 0.10 -0.01 -0.04 2.12 2.31 2j9nA1 VAL 224 HG13 0.13 -0.01 -0.11 -0.04 0.97 0.95 2j9nA1 VAL 224 HG23 0.15 0.03 -0.33 -0.04 0.95 0.76 2j9nA1 CYS 225 H 0.11 0.12 -0.21 -0.55 8.50 7.97 2j9nA1 CYS 225 HA 0.06 0.14 0.30 -0.75 4.58 4.33 2j9nA1 CYS 225 HB2 0.00 0.06 -0.17 -0.04 2.97 2.82 2j9nA1 CYS 225 HB3 0.01 0.05 -0.03 -0.04 2.97 2.95 2j9nA1 ASN 226 H 0.03 0.46 -0.32 -0.55 8.53 8.15 2j9nA1 ASN 226 HA -0.12 0.10 0.56 -0.75 4.76 4.55 2j9nA1 ASN 226 HB2 -0.47 0.14 0.09 -0.04 2.88 2.60 2j9nA1 ASN 226 HB3 -0.47 -0.06 0.10 -0.04 2.79 2.32 2j9nA1 ASN 226 HD21 -0.03 0.18 0.04 -0.04 7.03 7.19 2j9nA1 ASN 226 HD22 -0.10 -0.13 -0.03 -0.04 7.74 7.43 2j9nA1 TYR 227 H 0.15 0.63 -0.28 -0.55 8.29 8.24 2j9nA1 TYR 227 HA 0.20 0.12 0.83 -0.75 4.56 4.96 2j9nA1 TYR 227 HB2 0.19 0.16 0.01 -0.04 3.06 3.38 2j9nA1 TYR 227 HB3 0.45 -0.08 0.07 -0.04 2.98 3.37 2j9nA1 TYR 227 HD2 0.02 0.03 -0.12 -0.04 7.15 7.04 2j9nA1 TYR 227 HE2 -0.43 0.00 -0.07 -0.04 6.85 6.31 2j9nA1 VAL 228 H 0.12 0.33 -0.13 -0.55 8.24 8.01 2j9nA1 VAL 228 HA 0.11 0.05 0.34 -0.75 4.13 3.87 2j9nA1 VAL 228 HB 0.05 0.06 0.11 -0.04 2.12 2.30 2j9nA1 VAL 228 HG13 0.01 0.01 -0.07 -0.04 0.97 0.89 2j9nA1 VAL 228 HG23 0.07 0.09 0.05 -0.04 0.95 1.12 2j9nA1 SER 229 H 0.09 0.17 -0.18 -0.55 8.46 7.99 2j9nA1 SER 229 HA 0.03 0.10 0.44 -0.75 4.49 4.31 2j9nA1 SER 229 HB2 0.09 0.00 0.06 -0.04 3.95 4.06 2j9nA1 SER 229 HB3 0.06 0.04 -0.04 -0.04 3.93 3.95 2j9nA1 TRP 230 H 0.33 0.11 -0.21 -0.55 7.97 7.66 2j9nA1 TRP 230 HA 0.01 0.06 0.48 -0.75 4.62 4.41 2j9nA1 TRP 230 HB2 0.13 -0.01 0.09 -0.04 3.23 3.40 2j9nA1 TRP 230 HB3 0.21 0.09 0.12 -0.04 3.23 3.61 2j9nA1 TRP 230 HD1 -0.05 0.01 0.02 -0.04 7.22 7.16 2j9nA1 TRP 230 HE1 -0.12 0.05 -0.02 -0.04 10.20 10.07 2j9nA1 TRP 230 HE3 0.20 0.08 -0.08 -0.04 7.59 7.75 2j9nA1 TRP 230 HZ2 -0.03 0.09 -0.24 -0.04 7.44 7.22 2j9nA1 TRP 230 HZ3 0.03 -0.03 -0.19 -0.04 7.13 6.90 2j9nA1 TRP 230 HH2 0.04 -0.03 -0.17 -0.04 7.19 6.99 2j9nA1 ILE 231 H 0.17 0.63 -0.14 -0.55 8.25 8.36 2j9nA1 ILE 231 HA -0.76 0.00 0.33 -0.75 4.18 3.00 2j9nA1 ILE 231 HB -0.02 0.10 0.13 -0.04 1.89 2.06 2j9nA1 ILE 231 HG12 -0.05 -0.05 -0.05 -0.04 1.49 1.29 2j9nA1 ILE 231 HG13 0.36 0.05 -0.01 -0.04 1.21 1.58 2j9nA1 ILE 231 HG23 -0.22 -0.01 -0.16 -0.04 0.93 0.50 2j9nA1 ILE 231 HD13 0.16 -0.01 -0.12 -0.04 0.88 0.86 2j9nA1 LYS 232 H -0.11 0.60 -0.10 -0.55 8.42 8.26 2j9nA1 LYS 232 HA -0.21 0.00 0.32 -0.75 4.32 3.68 2j9nA1 LYS 232 HB2 -0.06 0.07 0.17 -0.04 1.87 2.01 2j9nA1 LYS 232 HB3 -0.08 -0.03 0.02 -0.04 1.79 1.66 2j9nA1 LYS 232 HG2 -0.08 -0.05 0.02 -0.04 1.46 1.31 2j9nA1 LYS 232 HG3 -0.05 0.14 0.09 -0.04 1.46 1.60 2j9nA1 LYS 232 HD2 -0.02 -0.02 -0.06 -0.04 1.69 1.55 2j9nA1 LYS 232 HD3 -0.04 -0.02 -0.01 -0.04 1.68 1.57 2j9nA1 LYS 232 HE2 -0.03 -0.02 -0.01 -0.04 2.99 2.89 2j9nA1 LYS 232 HE3 -0.02 0.01 -0.04 -0.04 2.99 2.90 2j9nA1 GLN 233 H -0.15 0.55 -0.18 -0.55 8.47 8.14 2j9nA1 GLN 233 HA -0.11 0.03 0.32 -0.75 4.36 3.85 2j9nA1 GLN 233 HB2 -0.04 -0.05 0.06 -0.04 2.15 2.08 2j9nA1 GLN 233 HB3 -0.07 0.11 0.16 -0.04 2.02 2.18 2j9nA1 GLN 233 HG2 -0.07 0.01 -0.22 -0.04 2.40 2.07 2j9nA1 GLN 233 HG3 -0.01 -0.04 -0.04 -0.04 2.39 2.25 2j9nA1 GLN 233 HE21 0.15 -0.04 -0.03 -0.04 6.97 7.01 2j9nA1 GLN 233 HE22 0.06 -0.02 -0.05 -0.04 7.69 7.65 2j9nA1 THR 234 H -0.48 0.54 -0.22 -0.55 8.28 7.57 2j9nA1 THR 234 HA -0.29 0.03 0.34 -0.75 4.39 3.72 2j9nA1 THR 234 HB -0.97 0.05 0.12 -0.04 4.32 3.48 2j9nA1 THR 234 HG23 -0.44 -0.03 -0.11 -0.04 1.22 0.60 2j9nA1 ILE 235 H -0.62 0.62 -0.08 -0.55 8.25 7.62 2j9nA1 ILE 235 HA -1.04 -0.01 0.36 -0.75 4.18 2.74 2j9nA1 ILE 235 HB -0.47 0.12 0.11 -0.04 1.89 1.60 2j9nA1 ILE 235 HG12 -2.64 -0.07 -0.04 -0.04 1.49 -1.30 2j9nA1 ILE 235 HG13 -1.09 0.10 0.03 -0.04 1.21 0.21 2j9nA1 ILE 235 HG23 -0.26 -0.02 -0.15 -0.04 0.93 0.46 2j9nA1 ILE 235 HD13 -0.43 -0.04 -0.10 -0.04 0.88 0.27 2j9nA1 ALA 236 H -0.23 0.45 -0.31 -0.55 8.40 7.76 2j9nA1 ALA 236 HA -0.05 0.03 0.47 -0.75 4.34 4.03 2j9nA1 ALA 236 HB3 -0.08 -0.01 0.10 -0.04 1.41 1.39 2j9nA1 SER 237 H -0.10 0.34 -0.60 -0.55 8.46 7.56 2j9nA1 SER 237 HA 0.00 0.14 0.89 -0.75 4.49 4.77 2j9nA1 SER 237 HB2 -0.04 0.03 0.01 -0.04 3.95 3.90 2j9nA1 SER 237 HB3 -0.01 -0.10 0.14 -0.04 3.93 3.92 2j9nA1 ASN 238 H 0.08 0.41 -0.15 -0.55 8.53 8.33 2j9nA1 ASN 238 HA 0.12 0.17 0.62 -0.75 4.76 4.91 2j9nA1 ASN 238 HB2 0.31 0.10 -0.03 -0.04 2.88 3.21 2j9nA1 ASN 238 HB3 0.35 -0.06 -0.01 -0.04 2.79 3.03 2j9nA1 ASN 238 HD21 0.01 -0.06 -0.13 -0.04 7.03 6.80 2j9nA1 ASN 238 HD22 -0.06 0.39 -0.09 -0.04 7.74 7.94