============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 4 0.840 29.028 26.985 62.752 -99.200 -91.000 TYR 8 0.840 31.175 28.135 53.002 -99.200 -91.000 TRP 14 1.040 23.299 22.172 45.267 -99.200 -91.000 TRP6 14 1.020 22.453 24.369 45.432 -99.200 -91.000 TYR 22 0.840 19.203 27.756 37.766 -99.200 -91.000 TYR 28 0.840 27.029 37.853 42.086 -99.200 -91.000 TYR 31 0.840 32.473 38.426 51.387 -99.200 -91.000 PHE 34 1.000 34.638 32.760 54.974 -99.200 -91.000 TYR 36 0.840 26.241 38.126 58.070 -99.200 -91.000 PHE 38 1.000 35.946 34.625 61.005 -99.200 -91.000 TYR 48 0.840 36.429 22.573 65.566 -99.200 -91.000 PHE 52 1.000 33.524 28.447 58.053 -99.200 -91.000 PHE 53 1.000 39.142 34.710 57.670 -99.200 -91.000 PHE 56 1.000 35.232 25.952 53.633 -99.200 -91.000 PHE 60 1.000 34.036 33.603 49.819 -99.200 -91.000 PHE 63 1.000 35.042 39.624 41.622 -99.200 -91.000 HIS 64 0.900 33.447 40.457 48.469 -99.200 -91.000 PHE 72 1.000 43.901 35.929 57.296 -99.200 -91.000 HIS 79 0.900 41.139 40.827 68.999 -99.200 -91.000 PHE 89 1.000 30.352 41.143 56.083 -99.200 -91.000 HIS 92 0.900 24.818 47.140 57.545 -99.200 -91.000 TYR 94 0.840 26.632 40.983 51.761 -99.200 -91.000 TYR 108 0.840 13.883 20.134 46.914 -99.200 -91.000 PHE 109 1.000 22.604 21.120 48.700 -99.200 -91.000 HIS 128 0.900 23.291 37.025 61.025 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2j49A1 PRO 149 HA -0.19 0.06 0.23 -0.51 4.44 4.03 2j49A1 PRO 149 HB2 -0.18 -0.05 0.10 -0.04 2.28 2.11 2j49A1 PRO 149 HB3 -0.10 0.09 0.05 -0.04 2.02 2.03 2j49A1 PRO 149 HG2 -0.06 -0.05 0.09 -0.04 2.03 1.97 2j49A1 PRO 149 HG3 -0.03 0.09 0.05 -0.04 2.03 2.09 2j49A1 PRO 149 HD2 0.01 0.03 0.03 -0.04 3.68 3.71 2j49A1 PRO 149 HD3 0.05 0.08 0.04 -0.04 3.65 3.78 2j49A1 GLU 150 H -0.24 0.22 0.10 -0.55 8.60 8.13 2j49A1 GLU 150 HA -1.13 0.11 0.61 -0.75 4.29 3.14 2j49A1 GLU 150 HB2 -0.20 0.04 0.17 -0.04 2.09 2.06 2j49A1 GLU 150 HB3 -0.47 0.02 0.13 -0.04 1.99 1.63 2j49A1 GLU 150 HG2 -0.08 0.01 -0.15 -0.04 2.34 2.08 2j49A1 GLU 150 HG3 -0.03 0.04 -0.01 -0.04 2.34 2.30 2j49A1 ASN 151 H 0.00 0.11 -0.62 -0.55 8.53 7.48 2j49A1 ASN 151 HA 0.06 0.21 0.84 -0.75 4.76 5.13 2j49A1 ASN 151 HB2 0.03 0.06 0.07 -0.04 2.88 2.99 2j49A1 ASN 151 HB3 0.01 0.00 -0.04 -0.04 2.79 2.72 2j49A1 ASN 151 HD21 -0.04 -0.01 -0.08 -0.04 7.03 6.86 2j49A1 ASN 151 HD22 -0.01 0.03 -0.06 -0.04 7.74 7.66 2j49A1 TYR 152 H 0.28 0.35 -0.12 -0.55 8.29 8.26 2j49A1 TYR 152 HA 0.00 0.04 0.30 -0.75 4.56 4.15 2j49A1 TYR 152 HB2 -0.15 0.08 0.08 -0.04 3.06 3.03 2j49A1 TYR 152 HB3 -0.42 0.03 -0.07 -0.04 2.98 2.48 2j49A1 TYR 152 HD2 -0.32 -0.08 0.01 -0.04 7.15 6.72 2j49A1 TYR 152 HE2 -0.15 0.06 0.05 -0.04 6.85 6.77 2j49A1 ILE 153 H 0.33 0.13 -0.45 -0.55 8.25 7.71 2j49A1 ILE 153 HA 0.84 0.09 0.33 -0.75 4.18 4.69 2j49A1 ILE 153 HB 0.33 0.04 0.00 -0.04 1.89 2.22 2j49A1 ILE 153 HG12 0.80 0.02 -0.03 -0.04 1.49 2.24 2j49A1 ILE 153 HG13 0.48 -0.06 -0.03 -0.04 1.21 1.55 2j49A1 ILE 153 HG23 0.38 0.02 -0.06 -0.04 0.93 1.22 2j49A1 ILE 153 HD13 0.31 0.02 -0.09 -0.04 0.88 1.08 2j49A1 ARG 154 H 0.22 0.27 -0.22 -0.55 8.46 8.17 2j49A1 ARG 154 HA 0.20 0.06 0.54 -0.75 4.34 4.38 2j49A1 ARG 154 HB2 0.12 -0.03 0.11 -0.04 1.90 2.07 2j49A1 ARG 154 HB3 0.09 0.11 0.18 -0.04 1.80 2.15 2j49A1 ARG 154 HG2 0.07 0.06 -0.16 -0.04 1.67 1.60 2j49A1 ARG 154 HG3 0.10 -0.04 0.04 -0.04 1.67 1.73 2j49A1 ARG 154 HD2 0.07 -0.02 0.02 -0.04 3.22 3.25 2j49A1 ARG 154 HD3 0.05 0.02 0.03 -0.04 3.22 3.28 2j49A1 ALA 155 H 0.10 0.49 0.08 -0.55 8.40 8.53 2j49A1 ALA 155 HA 0.02 0.09 0.45 -0.75 4.34 4.15 2j49A1 ALA 155 HB3 -0.02 0.03 0.11 -0.04 1.41 1.48 2j49A1 TYR 156 H 0.28 0.52 -0.25 -0.55 8.29 8.30 2j49A1 TYR 156 HA 0.03 0.03 0.44 -0.75 4.56 4.31 2j49A1 TYR 156 HB2 0.25 0.01 0.04 -0.04 3.06 3.32 2j49A1 TYR 156 HB3 0.04 0.09 0.06 -0.04 2.98 3.13 2j49A1 TYR 156 HD2 -0.88 0.02 -0.18 -0.04 7.15 6.07 2j49A1 TYR 156 HE2 -0.17 0.03 -0.04 -0.04 6.85 6.64 2j49A1 SER 157 H 0.21 0.44 -0.14 -0.55 8.46 8.43 2j49A1 SER 157 HA 0.04 0.01 0.50 -0.75 4.49 4.28 2j49A1 SER 157 HB2 0.44 0.16 0.20 -0.04 3.95 4.71 2j49A1 SER 157 HB3 0.21 0.01 0.19 -0.04 3.93 4.29 2j49A1 MET 158 H 0.10 0.80 -0.14 -0.55 8.47 8.68 2j49A1 MET 158 HA 0.14 0.00 0.43 -0.75 4.52 4.35 2j49A1 MET 158 HB2 0.09 -0.02 0.06 -0.04 2.15 2.24 2j49A1 MET 158 HB3 0.08 0.17 0.13 -0.04 2.03 2.36 2j49A1 MET 158 HG2 0.36 0.00 -0.49 -0.04 2.63 2.47 2j49A1 MET 158 HG3 0.20 -0.04 -0.07 -0.04 2.56 2.61 2j49A1 MET 158 HE3 -0.10 0.00 -0.15 -0.04 2.10 1.81 2j49A1 LEU 159 H 0.06 0.47 -0.17 -0.55 8.37 8.18 2j49A1 LEU 159 HA 0.23 -0.00 0.43 -0.75 4.35 4.25 2j49A1 LEU 159 HB2 0.04 0.05 0.11 -0.04 1.64 1.79 2j49A1 LEU 159 HB3 -0.22 0.14 0.18 -0.04 1.64 1.70 2j49A1 LEU 159 HG -0.04 0.00 -0.23 -0.04 1.64 1.34 2j49A1 LEU 159 HD13 0.18 -0.02 -0.03 -0.04 0.93 1.01 2j49A1 LEU 159 HD23 -0.01 -0.01 -0.06 -0.04 0.89 0.78 2j49A1 LYS 160 H -0.26 0.76 -0.07 -0.55 8.42 8.29 2j49A1 LYS 160 HA -0.13 -0.03 0.38 -0.75 4.32 3.79 2j49A1 LYS 160 HB2 -0.49 0.04 0.11 -0.04 1.87 1.49 2j49A1 LYS 160 HB3 -0.11 0.08 0.19 -0.04 1.79 1.91 2j49A1 LYS 160 HG2 -0.01 -0.03 -0.22 -0.04 1.46 1.15 2j49A1 LYS 160 HG3 -0.05 -0.03 0.01 -0.04 1.46 1.36 2j49A1 LYS 160 HD2 0.22 0.00 -0.02 -0.04 1.69 1.85 2j49A1 LYS 160 HD3 0.18 0.01 -0.01 -0.04 1.68 1.81 2j49A1 LYS 160 HE2 0.15 0.02 -0.02 -0.04 2.99 3.10 2j49A1 LYS 160 HE3 0.06 -0.02 -0.05 -0.04 2.99 2.94 2j49A1 ASN 161 H 0.04 0.73 -0.11 -0.55 8.53 8.64 2j49A1 ASN 161 HA 0.02 -0.01 0.46 -0.75 4.76 4.47 2j49A1 ASN 161 HB2 0.10 0.11 0.13 -0.04 2.88 3.19 2j49A1 ASN 161 HB3 0.07 -0.06 -0.00 -0.04 2.79 2.76 2j49A1 ASN 161 HD21 0.09 -0.05 -0.03 -0.04 7.03 7.00 2j49A1 ASN 161 HD22 0.09 -0.03 -0.04 -0.04 7.74 7.72 2j49A1 TRP 162 H 0.15 0.51 -0.26 -0.55 7.97 7.82 2j49A1 TRP 162 HA -0.20 0.00 0.42 -0.75 4.62 4.08 2j49A1 TRP 162 HB2 -0.68 0.01 0.07 -0.04 3.23 2.59 2j49A1 TRP 162 HB3 -0.60 0.17 0.17 -0.04 3.23 2.93 2j49A1 TRP 162 HD1 -0.37 -0.00 -0.02 -0.04 7.22 6.79 2j49A1 TRP 162 HE1 -0.15 -0.03 -0.04 -0.04 10.20 9.94 2j49A1 TRP 162 HE3 -0.33 0.13 -0.09 -0.04 7.59 7.26 2j49A1 TRP 162 HZ2 -0.09 -0.03 -0.13 -0.04 7.44 7.16 2j49A1 TRP 162 HZ3 -0.08 -0.02 -0.08 -0.04 7.13 6.91 2j49A1 TRP 162 HH2 -0.07 -0.09 -0.33 -0.04 7.19 6.66 2j49A1 VAL 163 H 0.02 0.62 -0.08 -0.55 8.24 8.25 2j49A1 VAL 163 HA -0.57 -0.05 0.40 -0.75 4.13 3.15 2j49A1 VAL 163 HB -0.05 0.13 0.13 -0.04 2.12 2.29 2j49A1 VAL 163 HG13 -0.08 -0.03 -0.21 -0.04 0.97 0.61 2j49A1 VAL 163 HG23 0.14 0.04 -0.06 -0.04 0.95 1.02 2j49A1 ASP 164 H -0.10 0.63 -0.10 -0.55 8.40 8.29 2j49A1 ASP 164 HA -0.10 -0.02 0.28 -0.75 4.63 4.04 2j49A1 ASP 164 HB2 -0.04 0.08 0.14 -0.04 2.71 2.85 2j49A1 ASP 164 HB3 -0.05 -0.06 0.02 -0.04 2.70 2.57 2j49A1 SER 165 H -0.16 0.36 -0.35 -0.55 8.46 7.76 2j49A1 SER 165 HA -0.10 0.16 0.91 -0.75 4.49 4.70 2j49A1 SER 165 HB2 -0.07 -0.09 0.17 -0.04 3.95 3.91 2j49A1 SER 165 HB3 -0.05 -0.06 0.05 -0.04 3.93 3.83 2j49A1 SER 166 H -0.32 0.46 -0.34 -0.55 8.46 7.71 2j49A1 SER 166 HA -0.35 0.01 0.52 -0.75 4.49 3.92 2j49A1 SER 166 HB2 -0.42 0.18 0.12 -0.04 3.95 3.79 2j49A1 SER 166 HB3 -0.36 -0.20 0.09 -0.04 3.93 3.42 2j49A1 LEU 167 H -0.06 0.06 0.15 -0.55 8.37 7.97 2j49A1 LEU 167 HA -0.06 0.14 0.54 -0.75 4.35 4.22 2j49A1 LEU 167 HB2 0.19 -0.06 0.15 -0.04 1.64 1.87 2j49A1 LEU 167 HB3 -0.06 -0.11 0.10 -0.04 1.64 1.52 2j49A1 LEU 167 HG 0.03 0.06 0.11 -0.04 1.64 1.80 2j49A1 LEU 167 HD13 0.17 0.00 0.04 -0.04 0.93 1.10 2j49A1 LEU 167 HD23 -0.01 0.03 0.06 -0.04 0.89 0.92 2j49A1 GLU 168 H -0.08 0.20 0.20 -0.55 8.60 8.37 2j49A1 GLU 168 HA -0.09 0.15 0.39 -0.75 4.29 3.98 2j49A1 GLU 168 HB2 -0.08 -0.03 0.09 -0.04 2.09 2.02 2j49A1 GLU 168 HB3 -0.07 0.04 0.10 -0.04 1.99 2.01 2j49A1 GLU 168 HG2 -0.06 -0.01 0.15 -0.04 2.34 2.37 2j49A1 GLU 168 HG3 -0.05 0.01 0.07 -0.04 2.34 2.32 2j49A1 ILE 169 H -0.19 0.03 -0.30 -0.55 8.25 7.25 2j49A1 ILE 169 HA -0.19 0.15 0.54 -0.75 4.18 3.92 2j49A1 ILE 169 HB -0.24 0.01 0.07 -0.04 1.89 1.69 2j49A1 ILE 169 HG12 -0.45 -0.03 -0.02 -0.04 1.49 0.95 2j49A1 ILE 169 HG13 -0.21 0.03 0.12 -0.04 1.21 1.11 2j49A1 ILE 169 HG23 -0.80 -0.01 -0.07 -0.04 0.93 0.01 2j49A1 ILE 169 HD13 -0.18 0.01 0.01 -0.04 0.88 0.68 2j49A1 TYR 170 H -0.15 0.40 -0.27 -0.55 8.29 7.71 2j49A1 TYR 170 HA -0.07 0.10 0.83 -0.75 4.56 4.68 2j49A1 TYR 170 HB2 -0.17 0.11 0.05 -0.04 3.06 3.01 2j49A1 TYR 170 HB3 -0.11 -0.04 0.04 -0.04 2.98 2.84 2j49A1 TYR 170 HD2 -0.06 -0.03 -0.00 -0.04 7.15 7.02 2j49A1 TYR 170 HE2 -0.02 -0.02 -0.05 -0.04 6.85 6.72 2j49A1 LYS 171 H -0.08 0.33 -0.06 -0.55 8.42 8.05 2j49A1 LYS 171 HA -0.13 0.01 0.24 -0.75 4.32 3.68 2j49A1 LYS 171 HB2 -0.10 0.02 0.06 -0.04 1.87 1.80 2j49A1 LYS 171 HB3 -0.11 -0.02 -0.06 -0.04 1.79 1.56 2j49A1 LYS 171 HG2 -0.18 0.15 -0.01 -0.04 1.46 1.38 2j49A1 LYS 171 HG3 -0.14 0.05 -0.37 -0.04 1.46 0.96 2j49A1 LYS 171 HD2 -0.12 0.29 -0.14 -0.04 1.69 1.67 2j49A1 LYS 171 HD3 -0.09 -0.15 -0.08 -0.04 1.68 1.31 2j49A1 LYS 171 HE2 -0.09 -0.15 -0.04 -0.04 2.99 2.67 2j49A1 LYS 171 HE3 -0.12 0.11 0.02 -0.04 2.99 2.96 2j49A1 PRO 172 HA -0.30 0.11 0.54 -0.51 4.44 4.27 2j49A1 PRO 172 HB2 -0.21 -0.01 0.04 -0.04 2.28 2.06 2j49A1 PRO 172 HB3 -0.23 0.04 0.08 -0.04 2.02 1.86 2j49A1 PRO 172 HG2 -0.10 0.06 0.03 -0.04 2.03 1.97 2j49A1 PRO 172 HG3 -0.11 0.05 0.05 -0.04 2.03 1.98 2j49A1 PRO 172 HD2 -0.10 0.07 -0.46 -0.04 3.68 3.14 2j49A1 PRO 172 HD3 -0.11 0.29 -0.05 -0.04 3.65 3.74 2j49A1 GLU 173 H -0.12 0.24 -0.09 -0.55 8.60 8.08 2j49A1 GLU 173 HA -0.11 0.10 0.45 -0.75 4.29 3.98 2j49A1 GLU 173 HB2 0.04 0.09 0.17 -0.04 2.09 2.36 2j49A1 GLU 173 HB3 0.09 -0.04 0.05 -0.04 1.99 2.05 2j49A1 GLU 173 HG2 0.14 0.14 0.15 -0.04 2.34 2.73 2j49A1 GLU 173 HG3 0.02 0.02 0.07 -0.04 2.34 2.42 2j49A1 LEU 174 H -0.04 0.43 -0.15 -0.55 8.37 8.06 2j49A1 LEU 174 HA 0.09 0.03 0.49 -0.75 4.35 4.21 2j49A1 LEU 174 HB2 -0.09 0.10 0.02 -0.04 1.64 1.62 2j49A1 LEU 174 HB3 -0.02 -0.00 -0.04 -0.04 1.64 1.54 2j49A1 LEU 174 HG 0.00 0.02 -0.02 -0.04 1.64 1.61 2j49A1 LEU 174 HD13 -0.47 -0.01 -0.12 -0.04 0.93 0.29 2j49A1 LEU 174 HD23 0.24 -0.01 -0.05 -0.04 0.89 1.04 2j49A1 SER 175 H -0.09 0.48 -0.21 -0.55 8.46 8.08 2j49A1 SER 175 HA 0.08 0.03 0.53 -0.75 4.49 4.38 2j49A1 SER 175 HB2 -0.13 0.13 0.20 -0.04 3.95 4.11 2j49A1 SER 175 HB3 0.05 -0.05 0.03 -0.04 3.93 3.92 2j49A1 TYR 176 H -0.07 0.40 -0.14 -0.55 8.29 7.93 2j49A1 TYR 176 HA 0.15 0.02 0.45 -0.75 4.56 4.43 2j49A1 TYR 176 HB2 0.10 0.16 0.17 -0.04 3.06 3.45 2j49A1 TYR 176 HB3 0.14 -0.03 0.04 -0.04 2.98 3.09 2j49A1 TYR 176 HD2 0.04 -0.01 0.03 -0.04 7.15 7.17 2j49A1 TYR 176 HE2 -0.09 -0.04 -0.01 -0.04 6.85 6.67 2j49A1 ILE 177 H 0.22 0.31 -0.34 -0.55 8.25 7.89 2j49A1 ILE 177 HA 0.21 0.07 0.37 -0.75 4.18 4.07 2j49A1 ILE 177 HB 0.18 0.04 0.05 -0.04 1.89 2.12 2j49A1 ILE 177 HG12 0.14 -0.04 -0.01 -0.04 1.49 1.55 2j49A1 ILE 177 HG13 0.17 0.01 -0.02 -0.04 1.21 1.34 2j49A1 ILE 177 HG23 0.16 0.06 -0.06 -0.04 0.93 1.05 2j49A1 ILE 177 HD13 0.13 -0.01 -0.08 -0.04 0.88 0.88 2j49A1 MET 178 H 0.23 0.33 -0.46 -0.55 8.47 8.02 2j49A1 MET 178 HA 0.23 -0.03 0.25 -0.75 4.52 4.22 2j49A1 MET 178 HB2 0.43 0.24 0.14 -0.04 2.15 2.92 2j49A1 MET 178 HB3 0.49 -0.07 -0.02 -0.04 2.03 2.39 2j49A1 MET 178 HG2 0.15 0.25 0.20 -0.04 2.63 3.18 2j49A1 MET 178 HG3 0.12 -0.04 0.02 -0.04 2.56 2.62 2j49A1 MET 178 HE3 -0.23 -0.01 -0.04 -0.04 2.10 1.77 2j49A1 TYR 179 H 0.28 0.34 -0.23 -0.55 8.29 8.13 2j49A1 TYR 179 HA -1.06 0.01 0.31 -0.75 4.56 3.07 2j49A1 TYR 179 HB2 -0.15 -0.02 0.07 -0.04 3.06 2.92 2j49A1 TYR 179 HB3 -0.12 0.16 0.12 -0.04 2.98 3.09 2j49A1 TYR 179 HD2 -0.89 0.03 -0.05 -0.04 7.15 6.21 2j49A1 TYR 179 HE2 -0.03 0.01 -0.05 -0.04 6.85 6.74 2j49A1 PRO 180 HA -0.64 0.03 0.49 -0.51 4.44 3.81 2j49A1 PRO 180 HB2 0.01 0.04 -0.11 -0.04 2.28 2.18 2j49A1 PRO 180 HB3 -1.01 0.04 0.06 -0.04 2.02 1.06 2j49A1 PRO 180 HG2 0.02 0.16 0.05 -0.04 2.03 2.22 2j49A1 PRO 180 HG3 -0.12 0.04 -0.01 -0.04 2.03 1.90 2j49A1 PRO 180 HD2 0.09 0.15 -0.05 -0.04 3.68 3.82 2j49A1 PRO 180 HD3 -0.12 0.08 0.09 -0.04 3.65 3.67 2j49A1 ILE 181 H 0.05 0.48 -0.33 -0.55 8.25 7.90 2j49A1 ILE 181 HA 0.14 0.00 0.35 -0.75 4.18 3.92 2j49A1 ILE 181 HB 0.24 0.12 0.08 -0.04 1.89 2.29 2j49A1 ILE 181 HG12 0.11 -0.06 -0.06 -0.04 1.49 1.43 2j49A1 ILE 181 HG13 0.12 0.16 0.00 -0.04 1.21 1.46 2j49A1 ILE 181 HG23 0.24 -0.03 -0.15 -0.04 0.93 0.95 2j49A1 ILE 181 HD13 0.12 -0.03 -0.13 -0.04 0.88 0.79 2j49A1 PHE 182 H 0.21 0.76 -0.03 -0.55 8.34 8.73 2j49A1 PHE 182 HA -0.09 -0.06 0.42 -0.75 4.62 4.15 2j49A1 PHE 182 HB2 -0.09 -0.02 0.07 -0.04 3.15 3.07 2j49A1 PHE 182 HB3 -0.48 0.21 0.18 -0.04 3.06 2.93 2j49A1 PHE 182 HD2 -0.68 0.02 -0.10 -0.04 7.28 6.48 2j49A1 PHE 182 HE2 -0.48 0.03 -0.11 -0.04 7.38 6.78 2j49A1 PHE 182 HZ -1.12 0.04 0.01 -0.04 7.32 6.21 2j49A1 ILE 183 H -0.45 0.54 -0.16 -0.55 8.25 7.63 2j49A1 ILE 183 HA -0.60 -0.02 0.31 -0.75 4.18 3.12 2j49A1 ILE 183 HB -1.27 0.12 0.14 -0.04 1.89 0.84 2j49A1 ILE 183 HG12 -0.99 0.21 0.06 -0.04 1.49 0.73 2j49A1 ILE 183 HG13 -1.66 -0.03 -0.06 -0.04 1.21 -0.58 2j49A1 ILE 183 HG23 -1.66 -0.01 -0.13 -0.04 0.93 -0.91 2j49A1 ILE 183 HD13 -0.33 -0.02 -0.08 -0.04 0.88 0.41 2j49A1 TYR 184 H -0.30 0.67 -0.05 -0.55 8.29 8.06 2j49A1 TYR 184 HA -0.30 0.01 0.51 -0.75 4.56 4.03 2j49A1 TYR 184 HB2 -0.13 0.07 0.09 -0.04 3.06 3.05 2j49A1 TYR 184 HB3 -0.29 -0.05 0.02 -0.04 2.98 2.62 2j49A1 TYR 184 HD2 -0.40 0.03 -0.06 -0.04 7.15 6.68 2j49A1 TYR 184 HE2 0.04 0.03 -0.08 -0.04 6.85 6.80 2j49A1 LEU 185 H -0.02 0.65 -0.11 -0.55 8.37 8.34 2j49A1 LEU 185 HA 0.05 -0.01 0.52 -0.75 4.35 4.15 2j49A1 LEU 185 HB2 0.01 0.18 0.15 -0.04 1.64 1.94 2j49A1 LEU 185 HB3 -0.23 -0.11 -0.02 -0.04 1.64 1.24 2j49A1 LEU 185 HG 0.07 0.18 0.03 -0.04 1.64 1.88 2j49A1 LEU 185 HD13 0.23 -0.03 -0.09 -0.04 0.93 1.00 2j49A1 LEU 185 HD23 -0.23 -0.03 -0.05 -0.04 0.89 0.54 2j49A1 PHE 186 H -0.13 0.63 -0.15 -0.55 8.34 8.14 2j49A1 PHE 186 HA -0.27 -0.06 0.39 -0.75 4.62 3.92 2j49A1 PHE 186 HB2 -0.26 -0.03 0.04 -0.04 3.15 2.86 2j49A1 PHE 186 HB3 -0.45 0.17 0.17 -0.04 3.06 2.91 2j49A1 PHE 186 HD2 -0.04 0.02 -0.01 -0.04 7.28 7.21 2j49A1 PHE 186 HE2 -0.16 -0.03 -0.09 -0.04 7.38 7.05 2j49A1 PHE 186 HZ -0.41 0.22 0.03 -0.04 7.32 7.13 2j49A1 LEU 187 H -0.22 0.65 -0.03 -0.55 8.37 8.23 2j49A1 LEU 187 HA -0.55 0.01 0.50 -0.75 4.35 3.55 2j49A1 LEU 187 HB2 -0.20 0.07 0.14 -0.04 1.64 1.62 2j49A1 LEU 187 HB3 -0.17 -0.04 -0.02 -0.04 1.64 1.37 2j49A1 LEU 187 HG -0.23 0.24 0.07 -0.04 1.64 1.68 2j49A1 LEU 187 HD13 -0.21 -0.01 -0.03 -0.04 0.93 0.64 2j49A1 LEU 187 HD23 -0.17 -0.03 -0.01 -0.04 0.89 0.64 2j49A1 ASN 188 H -0.13 0.57 -0.09 -0.55 8.53 8.33 2j49A1 ASN 188 HA -0.09 0.00 0.51 -0.75 4.76 4.44 2j49A1 ASN 188 HB2 0.07 0.20 0.18 -0.04 2.88 3.28 2j49A1 ASN 188 HB3 0.06 -0.11 -0.01 -0.04 2.79 2.69 2j49A1 ASN 188 HD21 0.14 -0.02 -0.04 -0.04 7.03 7.06 2j49A1 ASN 188 HD22 0.10 -0.06 -0.02 -0.04 7.74 7.72 2j49A1 LEU 189 H -0.31 0.52 -0.23 -0.55 8.37 7.81 2j49A1 LEU 189 HA -0.42 -0.03 0.49 -0.75 4.35 3.63 2j49A1 LEU 189 HB2 -0.39 0.18 0.16 -0.04 1.64 1.55 2j49A1 LEU 189 HB3 -0.27 -0.09 -0.09 -0.04 1.64 1.14 2j49A1 LEU 189 HG -1.38 0.07 0.01 -0.04 1.64 0.29 2j49A1 LEU 189 HD13 -0.43 -0.03 -0.18 -0.04 0.93 0.25 2j49A1 LEU 189 HD23 -0.73 -0.00 0.04 -0.04 0.89 0.16 2j49A1 VAL 190 H -0.46 0.63 -0.14 -0.55 8.24 7.72 2j49A1 VAL 190 HA -0.25 -0.02 0.34 -0.75 4.13 3.45 2j49A1 VAL 190 HB -0.44 0.18 0.07 -0.04 2.12 1.89 2j49A1 VAL 190 HG13 -0.20 -0.04 -0.52 -0.04 0.97 0.17 2j49A1 VAL 190 HG23 -0.90 0.07 -0.01 -0.04 0.95 0.07 2j49A1 ALA 191 H -0.20 0.40 -0.33 -0.55 8.40 7.73 2j49A1 ALA 191 HA -0.09 -0.08 0.41 -0.75 4.34 3.82 2j49A1 ALA 191 HB3 -0.08 0.04 0.06 -0.04 1.41 1.39 2j49A1 LYS 192 H -0.16 0.21 -0.32 -0.55 8.42 7.60 2j49A1 LYS 192 HA -0.07 0.08 0.56 -0.75 4.32 4.13 2j49A1 LYS 192 HB2 -0.21 0.00 0.19 -0.04 1.87 1.82 2j49A1 LYS 192 HB3 -0.12 -0.09 0.00 -0.04 1.79 1.53 2j49A1 LYS 192 HG2 -0.06 -0.03 0.00 -0.04 1.46 1.33 2j49A1 LYS 192 HG3 -0.10 0.17 0.03 -0.04 1.46 1.52 2j49A1 LYS 192 HD2 -0.12 0.01 -0.05 -0.04 1.69 1.48 2j49A1 LYS 192 HD3 -0.10 -0.08 0.01 -0.04 1.68 1.46 2j49A1 LYS 192 HE2 0.04 -0.04 -0.01 -0.04 2.99 2.94 2j49A1 LYS 192 HE3 -0.02 -0.02 -0.00 -0.04 2.99 2.91 2j49A1 ASN 193 H -0.13 0.77 0.05 -0.55 8.53 8.67 2j49A1 ASN 193 HA -0.02 0.17 0.77 -0.75 4.76 4.92 2j49A1 ASN 193 HB2 -0.00 0.08 -0.20 -0.04 2.88 2.72 2j49A1 ASN 193 HB3 0.04 -0.07 0.14 -0.04 2.79 2.86 2j49A1 ASN 193 HD21 0.19 0.00 0.03 -0.04 7.03 7.21 2j49A1 ASN 193 HD22 0.11 0.05 0.00 -0.04 7.74 7.86 2j49A1 PRO 194 HA -0.06 0.09 0.51 -0.51 4.44 4.46 2j49A1 PRO 194 HB2 -0.04 -0.07 0.08 -0.04 2.28 2.21 2j49A1 PRO 194 HB3 -0.07 0.26 0.23 -0.04 2.02 2.40 2j49A1 PRO 194 HG2 -0.05 -0.03 0.15 -0.04 2.03 2.06 2j49A1 PRO 194 HG3 -0.08 0.29 0.17 -0.04 2.03 2.37 2j49A1 PRO 194 HD2 -0.03 0.01 0.21 -0.04 3.68 3.83 2j49A1 PRO 194 HD3 -0.05 0.27 -0.03 -0.04 3.65 3.80 2j49A1 VAL 195 H -0.02 0.13 -0.13 -0.55 8.24 7.67 2j49A1 VAL 195 HA -0.04 0.13 0.53 -0.75 4.13 4.00 2j49A1 VAL 195 HB -0.09 -0.03 0.10 -0.04 2.12 2.05 2j49A1 VAL 195 HG13 -0.22 0.01 -0.11 -0.04 0.97 0.61 2j49A1 VAL 195 HG23 -0.05 0.02 0.05 -0.04 0.95 0.93 2j49A1 TYR 196 H 0.08 0.13 -0.17 -0.55 8.29 7.77 2j49A1 TYR 196 HA 0.05 0.04 0.48 -0.75 4.56 4.38 2j49A1 TYR 196 HB2 -0.08 0.09 0.11 -0.04 3.06 3.14 2j49A1 TYR 196 HB3 -0.05 0.03 -0.04 -0.04 2.98 2.87 2j49A1 TYR 196 HD2 0.02 -0.01 0.02 -0.04 7.15 7.15 2j49A1 TYR 196 HE2 0.03 0.04 0.03 -0.04 6.85 6.90 2j49A1 ALA 197 H 0.06 0.59 -0.09 -0.55 8.40 8.41 2j49A1 ALA 197 HA 0.14 -0.02 0.35 -0.75 4.34 4.06 2j49A1 ALA 197 HB3 -0.10 0.05 -0.17 -0.04 1.41 1.15 2j49A1 ARG 198 H 0.11 0.56 -0.21 -0.55 8.46 8.36 2j49A1 ARG 198 HA 0.20 0.06 0.46 -0.75 4.34 4.31 2j49A1 ARG 198 HB2 0.05 0.16 0.21 -0.04 1.90 2.29 2j49A1 ARG 198 HB3 0.09 -0.06 -0.04 -0.04 1.80 1.75 2j49A1 ARG 198 HG2 0.08 -0.00 0.05 -0.04 1.67 1.76 2j49A1 ARG 198 HG3 0.04 0.14 0.10 -0.04 1.67 1.92 2j49A1 ARG 198 HD2 0.03 -0.04 0.02 -0.04 3.22 3.19 2j49A1 ARG 198 HD3 0.04 -0.02 0.00 -0.04 3.22 3.20 2j49A1 ARG 199 H 0.11 0.40 -0.11 -0.55 8.46 8.32 2j49A1 ARG 199 HA 0.08 0.03 0.39 -0.75 4.34 4.09 2j49A1 ARG 199 HB2 0.13 0.06 0.13 -0.04 1.90 2.17 2j49A1 ARG 199 HB3 0.07 -0.04 -0.01 -0.04 1.80 1.79 2j49A1 ARG 199 HG2 0.00 -0.02 0.03 -0.04 1.67 1.64 2j49A1 ARG 199 HG3 -0.03 0.18 0.10 -0.04 1.67 1.89 2j49A1 ARG 199 HD2 -0.14 -0.02 -0.02 -0.04 3.22 2.99 2j49A1 ARG 199 HD3 -0.14 -0.03 -0.01 -0.04 3.22 3.00 2j49A1 PHE 200 H 0.36 0.66 -0.11 -0.55 8.34 8.71 2j49A1 PHE 200 HA 0.20 -0.03 0.49 -0.75 4.62 4.53 2j49A1 PHE 200 HB2 0.23 -0.05 0.05 -0.04 3.15 3.33 2j49A1 PHE 200 HB3 0.22 0.15 0.14 -0.04 3.06 3.54 2j49A1 PHE 200 HD2 0.25 -0.01 -0.18 -0.04 7.28 7.30 2j49A1 PHE 200 HE2 -0.23 0.13 -0.10 -0.04 7.38 7.14 2j49A1 PHE 200 HZ -0.36 0.01 -0.04 -0.04 7.32 6.88 2j49A1 PHE 201 H 0.48 0.76 -0.07 -0.55 8.34 8.96 2j49A1 PHE 201 HA 0.12 -0.04 0.35 -0.75 4.62 4.30 2j49A1 PHE 201 HB2 -0.17 0.10 0.11 -0.04 3.15 3.16 2j49A1 PHE 201 HB3 -0.07 0.09 0.14 -0.04 3.06 3.19 2j49A1 PHE 201 HD2 -1.22 0.01 -0.14 -0.04 7.28 5.88 2j49A1 PHE 201 HE2 -1.28 -0.03 -0.10 -0.04 7.38 5.93 2j49A1 PHE 201 HZ -0.40 0.12 0.02 -0.04 7.32 7.02 2j49A1 ASP 202 H 0.17 0.59 -0.13 -0.55 8.40 8.49 2j49A1 ASP 202 HA 0.09 0.01 0.29 -0.75 4.63 4.26 2j49A1 ASP 202 HB2 0.09 0.04 0.10 -0.04 2.71 2.89 2j49A1 ASP 202 HB3 0.10 -0.06 0.05 -0.04 2.70 2.75 2j49A1 ARG 203 H -0.14 0.42 -0.29 -0.55 8.46 7.90 2j49A1 ARG 203 HA -0.24 0.05 0.62 -0.75 4.34 4.02 2j49A1 ARG 203 HB2 -0.30 0.11 0.14 -0.04 1.90 1.81 2j49A1 ARG 203 HB3 -1.06 -0.00 0.11 -0.04 1.80 0.82 2j49A1 ARG 203 HG2 -0.56 -0.01 -0.01 -0.04 1.67 1.05 2j49A1 ARG 203 HG3 -0.27 -0.03 0.04 -0.04 1.67 1.38 2j49A1 ARG 203 HD2 -0.19 -0.04 -0.01 -0.04 3.22 2.94 2j49A1 ARG 203 HD3 -0.75 -0.00 -0.02 -0.04 3.22 2.41 2j49A1 PHE 204 H -0.31 0.46 -0.00 -0.55 8.34 7.93 2j49A1 PHE 204 HA -0.21 0.17 0.73 -0.75 4.62 4.55 2j49A1 PHE 204 HB2 -0.41 0.09 0.03 -0.04 3.15 2.81 2j49A1 PHE 204 HB3 -0.22 -0.06 0.05 -0.04 3.06 2.79 2j49A1 PHE 204 HD2 -0.56 0.06 -0.02 -0.04 7.28 6.72 2j49A1 PHE 204 HE2 0.10 -0.05 -0.00 -0.04 7.38 7.39 2j49A1 PHE 204 HZ 0.18 0.05 0.04 -0.04 7.32 7.56 2j49A1 SER 205 H -0.39 0.57 0.00 -0.55 8.46 8.09 2j49A1 SER 205 HA -0.69 0.01 0.42 -0.75 4.49 3.48 2j49A1 SER 205 HB2 -0.67 -0.13 0.01 -0.04 3.95 3.12 2j49A1 SER 205 HB3 -1.26 0.05 0.12 -0.04 3.93 2.79 2j49A1 PRO 206 HA -0.07 0.02 0.56 -0.51 4.44 4.44 2j49A1 PRO 206 HB2 -0.11 0.06 -0.07 -0.04 2.28 2.12 2j49A1 PRO 206 HB3 -0.06 -0.03 0.08 -0.04 2.02 1.97 2j49A1 PRO 206 HG2 -0.09 0.14 0.02 -0.04 2.03 2.07 2j49A1 PRO 206 HG3 -0.04 -0.02 0.01 -0.04 2.03 1.94 2j49A1 PRO 206 HD2 -0.20 0.23 -0.52 -0.04 3.68 3.15 2j49A1 PRO 206 HD3 -0.19 0.13 -0.18 -0.04 3.65 3.37 2j49A1 ASP 207 H -0.36 0.47 -0.50 -0.55 8.40 7.46 2j49A1 ASP 207 HA -0.27 0.06 0.46 -0.75 4.63 4.13 2j49A1 ASP 207 HB2 -1.21 0.17 0.07 -0.04 2.71 1.70 2j49A1 ASP 207 HB3 -0.63 -0.06 0.10 -0.04 2.70 2.07 2j49A1 PHE 208 H -0.16 0.47 -0.48 -0.55 8.34 7.61 2j49A1 PHE 208 HA 0.09 0.16 0.82 -0.75 4.62 4.94 2j49A1 PHE 208 HB2 0.02 0.11 0.01 -0.04 3.15 3.25 2j49A1 PHE 208 HB3 0.12 -0.08 0.11 -0.04 3.06 3.17 2j49A1 PHE 208 HD2 -0.20 0.01 -0.04 -0.04 7.28 7.01 2j49A1 PHE 208 HE2 -0.35 0.01 -0.14 -0.04 7.38 6.86 2j49A1 PHE 208 HZ 0.21 0.01 -0.20 -0.04 7.32 7.29 2j49A1 LYS 209 H -0.01 0.39 -0.21 -0.55 8.42 8.03 2j49A1 LYS 209 HA 0.07 0.05 0.37 -0.75 4.32 4.06 2j49A1 LYS 209 HB2 -0.02 0.11 0.09 -0.04 1.87 2.01 2j49A1 LYS 209 HB3 0.01 -0.01 0.03 -0.04 1.79 1.78 2j49A1 LYS 209 HG2 0.06 -0.02 -0.04 -0.04 1.46 1.42 2j49A1 LYS 209 HG3 -0.01 0.05 0.11 -0.04 1.46 1.56 2j49A1 LYS 209 HD2 0.00 0.03 0.03 -0.04 1.69 1.71 2j49A1 LYS 209 HD3 0.04 -0.04 -0.00 -0.04 1.68 1.65 2j49A1 LYS 209 HE2 0.02 0.01 -0.01 -0.04 2.99 2.97 2j49A1 LYS 209 HE3 0.08 -0.01 -0.03 -0.04 2.99 2.99 2j49A1 ASP 210 H -0.03 0.15 -0.14 -0.55 8.40 7.83 2j49A1 ASP 210 HA -0.19 0.11 0.44 -0.75 4.63 4.24 2j49A1 ASP 210 HB2 -0.16 -0.01 0.08 -0.04 2.71 2.58 2j49A1 ASP 210 HB3 -0.64 0.04 -0.02 -0.04 2.70 2.04 2j49A1 PHE 211 H 0.04 0.05 -0.20 -0.55 8.34 7.68 2j49A1 PHE 211 HA -0.17 0.22 0.77 -0.75 4.62 4.69 2j49A1 PHE 211 HB2 -0.21 0.01 0.05 -0.04 3.15 2.96 2j49A1 PHE 211 HB3 -0.51 0.03 0.04 -0.04 3.06 2.58 2j49A1 PHE 211 HD2 -0.05 0.01 0.01 -0.04 7.28 7.21 2j49A1 PHE 211 HE2 0.00 0.01 -0.02 -0.04 7.38 7.33 2j49A1 PHE 211 HZ 0.01 -0.00 -0.02 -0.04 7.32 7.27 2j49A1 HIS 212 H 0.06 0.40 -0.06 -0.55 8.41 8.27 2j49A1 HIS 212 HA 0.02 0.19 0.94 -0.75 4.63 5.03 2j49A1 HIS 212 HB2 -0.18 0.15 0.12 -0.04 3.26 3.30 2j49A1 HIS 212 HB3 -0.13 -0.10 0.17 -0.04 3.20 3.09 2j49A1 HIS 212 HD2 -0.34 -0.00 -0.03 -0.04 6.97 6.55 2j49A1 HIS 212 HE1 -0.01 0.02 -0.02 -0.04 7.75 7.70 2j49A1 GLY 213 H 0.05 0.29 -0.18 -0.55 8.43 8.05 2j49A1 GLY 213 HA2 0.12 0.02 0.28 -0.51 4.01 3.92 2j49A1 GLY 213 HA3 0.07 0.20 0.35 -0.51 4.01 4.11 2j49A1 SER 214 H 0.09 0.14 -0.20 -0.55 8.46 7.94 2j49A1 SER 214 HA 0.10 0.07 0.41 -0.75 4.49 4.31 2j49A1 SER 214 HB2 0.07 0.04 0.06 -0.04 3.95 4.08 2j49A1 SER 214 HB3 0.11 -0.00 0.04 -0.04 3.93 4.03 2j49A1 GLU 215 H 0.20 0.18 -0.19 -0.55 8.60 8.24 2j49A1 GLU 215 HA 0.20 0.01 0.35 -0.75 4.29 4.09 2j49A1 GLU 215 HB2 0.35 0.12 0.09 -0.04 2.09 2.61 2j49A1 GLU 215 HB3 0.36 0.00 -0.02 -0.04 1.99 2.29 2j49A1 GLU 215 HG2 0.24 0.01 0.01 -0.04 2.34 2.55 2j49A1 GLU 215 HG3 0.21 -0.10 0.01 -0.04 2.34 2.42 2j49A1 ILE 216 H 0.24 0.54 -0.12 -0.55 8.25 8.36 2j49A1 ILE 216 HA 0.29 0.03 0.45 -0.75 4.18 4.19 2j49A1 ILE 216 HB 0.20 0.10 0.08 -0.04 1.89 2.22 2j49A1 ILE 216 HG12 0.25 0.20 -0.09 -0.04 1.49 1.81 2j49A1 ILE 216 HG13 0.15 0.02 -0.19 -0.04 1.21 1.14 2j49A1 ILE 216 HG23 0.09 -0.01 -0.19 -0.04 0.93 0.79 2j49A1 ILE 216 HD13 0.12 -0.02 -0.05 -0.04 0.88 0.89 2j49A1 ASN 217 H 0.23 0.59 -0.11 -0.55 8.53 8.70 2j49A1 ASN 217 HA 0.63 0.01 0.32 -0.75 4.76 4.96 2j49A1 ASN 217 HB2 0.17 0.13 0.13 -0.04 2.88 3.26 2j49A1 ASN 217 HB3 0.17 -0.05 0.06 -0.04 2.79 2.92 2j49A1 ASN 217 HD21 0.09 -0.04 -0.02 -0.04 7.03 7.01 2j49A1 ASN 217 HD22 0.10 -0.02 -0.04 -0.04 7.74 7.73 2j49A1 ARG 218 H 0.19 0.36 -0.36 -0.55 8.46 8.09 2j49A1 ARG 218 HA 0.13 0.08 0.68 -0.75 4.34 4.47 2j49A1 ARG 218 HB2 0.14 0.12 0.11 -0.04 1.90 2.24 2j49A1 ARG 218 HB3 0.11 -0.14 0.17 -0.04 1.80 1.89 2j49A1 ARG 218 HG2 0.10 -0.02 0.02 -0.04 1.67 1.72 2j49A1 ARG 218 HG3 0.12 0.26 0.06 -0.04 1.67 2.06 2j49A1 ARG 218 HD2 0.08 -0.00 -0.02 -0.04 3.22 3.24 2j49A1 ARG 218 HD3 0.11 -0.02 -0.03 -0.04 3.22 3.23 2j49A1 LEU 219 H 0.13 0.49 -0.37 -0.55 8.37 8.07 2j49A1 LEU 219 HA 0.03 0.08 0.82 -0.75 4.35 4.51 2j49A1 LEU 219 HB2 0.06 0.20 0.13 -0.04 1.64 1.98 2j49A1 LEU 219 HB3 -0.22 -0.03 0.07 -0.04 1.64 1.43 2j49A1 LEU 219 HG 0.14 0.08 -0.12 -0.04 1.64 1.70 2j49A1 LEU 219 HD13 0.11 -0.01 -0.12 -0.04 0.93 0.87 2j49A1 LEU 219 HD23 0.13 -0.02 -0.06 -0.04 0.89 0.90 2j49A1 PHE 220 H 0.10 0.23 -0.08 -0.55 8.34 8.03 2j49A1 PHE 220 HA -0.36 0.10 0.52 -0.75 4.62 4.13 2j49A1 PHE 220 HB2 0.01 0.12 0.11 -0.04 3.15 3.35 2j49A1 PHE 220 HB3 -0.01 -0.02 -0.04 -0.04 3.06 2.95 2j49A1 PHE 220 HD2 0.08 0.01 0.04 -0.04 7.28 7.36 2j49A1 PHE 220 HE2 0.18 -0.03 -0.10 -0.04 7.38 7.40 2j49A1 PHE 220 HZ 0.16 0.00 -0.08 -0.04 7.32 7.36 2j49A1 SER 221 H 0.12 0.15 -0.33 -0.55 8.46 7.85 2j49A1 SER 221 HA 0.08 0.08 0.32 -0.75 4.49 4.22 2j49A1 SER 221 HB2 0.17 -0.04 0.08 -0.04 3.95 4.12 2j49A1 SER 221 HB3 0.11 -0.00 0.04 -0.04 3.93 4.04 2j49A1 VAL 222 H 0.01 0.37 -0.75 -0.55 8.24 7.33 2j49A1 VAL 222 HA 0.10 -0.03 0.44 -0.75 4.13 3.89 2j49A1 VAL 222 HB 0.13 0.17 0.17 -0.04 2.12 2.55 2j49A1 VAL 222 HG13 -0.04 -0.02 -0.19 -0.04 0.97 0.69 2j49A1 VAL 222 HG23 0.08 -0.02 0.03 -0.04 0.95 0.99 2j49A1 ASN 223 H -0.25 0.19 0.24 -0.55 8.53 8.16 2j49A1 ASN 223 HA -0.10 0.24 0.78 -0.75 4.76 4.92 2j49A1 ASN 223 HB2 -0.13 -0.05 0.11 -0.04 2.88 2.77 2j49A1 ASN 223 HB3 -0.12 0.09 -0.07 -0.04 2.79 2.64 2j49A1 ASN 223 HD21 -0.29 -0.03 0.01 -0.04 7.03 6.68 2j49A1 ASN 223 HD22 -0.14 0.00 -0.01 -0.04 7.74 7.55 2j49A1 SER 224 H -0.09 0.13 0.04 -0.55 8.46 8.00 2j49A1 SER 224 HA -0.08 0.35 0.66 -0.75 4.49 4.66 2j49A1 SER 224 HB2 -0.02 -0.01 0.15 -0.04 3.95 4.03 2j49A1 SER 224 HB3 -0.09 0.17 -0.21 -0.04 3.93 3.76 2j49A1 ILE 225 H -0.04 0.27 0.12 -0.55 8.25 8.05 2j49A1 ILE 225 HA -0.04 0.12 0.33 -0.75 4.18 3.83 2j49A1 ILE 225 HB -0.02 -0.04 0.09 -0.04 1.89 1.89 2j49A1 ILE 225 HG12 -0.05 0.01 0.08 -0.04 1.49 1.49 2j49A1 ILE 225 HG13 -0.05 -0.01 0.15 -0.04 1.21 1.26 2j49A1 ILE 225 HG23 -0.02 0.02 -0.01 -0.04 0.93 0.87 2j49A1 ILE 225 HD13 -0.03 0.05 0.09 -0.04 0.88 0.95 2j49A1 ASP 226 H 0.03 0.07 -0.16 -0.55 8.40 7.79 2j49A1 ASP 226 HA 0.01 0.13 0.55 -0.75 4.63 4.57 2j49A1 ASP 226 HB2 0.10 -0.05 0.08 -0.04 2.71 2.79 2j49A1 ASP 226 HB3 0.03 0.06 -0.03 -0.04 2.70 2.72 2j49A1 HIS 227 H 0.22 0.04 -0.18 -0.55 8.41 7.95 2j49A1 HIS 227 HA -0.01 0.05 0.32 -0.75 4.63 4.24 2j49A1 HIS 227 HB2 -0.03 -0.16 0.19 -0.04 3.26 3.22 2j49A1 HIS 227 HB3 -0.01 0.06 0.10 -0.04 3.20 3.31 2j49A1 HIS 227 HD2 -0.01 -0.10 0.01 -0.04 6.97 6.81 2j49A1 HIS 227 HE1 0.01 0.01 0.05 -0.04 7.75 7.77 2j49A1 ILE 228 H 0.03 0.23 -0.69 -0.55 8.25 7.28 2j49A1 ILE 228 HA 0.00 0.02 0.43 -0.75 4.18 3.88 2j49A1 ILE 228 HB -0.02 0.17 0.13 -0.04 1.89 2.13 2j49A1 ILE 228 HG12 -0.05 0.14 -0.07 -0.04 1.49 1.47 2j49A1 ILE 228 HG13 -0.07 -0.05 -0.03 -0.04 1.21 1.02 2j49A1 ILE 228 HG23 -0.03 -0.00 -0.16 -0.04 0.93 0.70 2j49A1 ILE 228 HD13 -0.16 -0.01 -0.07 -0.04 0.88 0.60 2j49A1 LYS 229 H 0.00 0.28 0.01 -0.55 8.42 8.16 2j49A1 LYS 229 HA 0.01 0.09 0.38 -0.75 4.32 4.04 2j49A1 LYS 229 HB2 -0.00 0.04 0.13 -0.04 1.87 1.99 2j49A1 LYS 229 HB3 0.00 -0.01 -0.01 -0.04 1.79 1.74 2j49A1 LYS 229 HG2 0.01 0.02 0.02 -0.04 1.46 1.47 2j49A1 LYS 229 HG3 0.00 0.01 0.05 -0.04 1.46 1.48 2j49A1 LYS 229 HD2 0.00 -0.02 0.01 -0.04 1.69 1.64 2j49A1 LYS 229 HD3 0.00 -0.00 0.00 -0.04 1.68 1.64 2j49A1 LYS 229 HE2 0.01 0.03 -0.01 -0.04 2.99 2.98 2j49A1 LYS 229 HE3 0.01 -0.00 -0.00 -0.04 2.99 2.95 2j49A1 GLU 230 H -0.02 0.21 -0.35 -0.55 8.60 7.90 2j49A1 GLU 230 HA -0.03 0.03 0.43 -0.75 4.29 3.96 2j49A1 GLU 230 HB2 -0.10 0.05 0.02 -0.04 2.09 2.01 2j49A1 GLU 230 HB3 -0.10 0.09 0.00 -0.04 1.99 1.94 2j49A1 GLU 230 HG2 -0.08 -0.01 -0.04 -0.04 2.34 2.17 2j49A1 GLU 230 HG3 -0.08 -0.01 0.01 -0.04 2.34 2.22 2j49A1 ASN 231 H 0.01 0.36 -0.32 -0.55 8.53 8.04 2j49A1 ASN 231 HA 0.03 0.00 0.48 -0.75 4.76 4.53 2j49A1 ASN 231 HB2 0.06 0.16 0.16 -0.04 2.88 3.22 2j49A1 ASN 231 HB3 0.05 0.03 0.19 -0.04 2.79 3.03 2j49A1 ASN 231 HD21 0.09 0.76 0.27 -0.04 7.03 8.11 2j49A1 ASN 231 HD22 0.08 -0.07 0.08 -0.04 7.74 7.79 2j49A1 GLU 232 H 0.05 0.14 0.23 -0.55 8.60 8.47 2j49A1 GLU 232 HA 0.04 0.20 0.49 -0.75 4.29 4.27 2j49A1 GLU 232 HB2 0.05 -0.04 0.15 -0.04 2.09 2.21 2j49A1 GLU 232 HB3 0.05 0.01 0.02 -0.04 1.99 2.02 2j49A1 GLU 232 HG2 0.03 0.06 0.02 -0.04 2.34 2.41 2j49A1 GLU 232 HG3 0.03 0.07 0.08 -0.04 2.34 2.48 2j49A1 VAL 233 H 0.09 0.10 0.01 -0.55 8.24 7.89 2j49A1 VAL 233 HA 0.11 0.13 0.57 -0.75 4.13 4.18 2j49A1 VAL 233 HB 0.15 0.02 0.04 -0.04 2.12 2.30 2j49A1 VAL 233 HG13 0.31 0.03 -0.12 -0.04 0.97 1.15 2j49A1 VAL 233 HG23 0.13 0.00 0.03 -0.04 0.95 1.07 2j49A1 ALA 234 H 0.11 0.08 -0.18 -0.55 8.40 7.87 2j49A1 ALA 234 HA 0.15 0.07 0.46 -0.75 4.34 4.27 2j49A1 ALA 234 HB3 0.04 0.07 0.08 -0.04 1.41 1.56 2j49A1 SER 235 H 0.06 0.40 -0.27 -0.55 8.46 8.10 2j49A1 SER 235 HA 0.03 0.02 0.46 -0.75 4.49 4.25 2j49A1 SER 235 HB2 0.03 0.03 0.10 -0.04 3.95 4.07 2j49A1 SER 235 HB3 0.03 -0.07 -0.01 -0.04 3.93 3.83 2j49A1 ALA 236 H 0.04 0.30 -0.35 -0.55 8.40 7.85 2j49A1 ALA 236 HA -0.03 0.03 0.47 -0.75 4.34 4.05 2j49A1 ALA 236 HB3 -0.03 0.04 0.12 -0.04 1.41 1.50 2j49A1 PHE 237 H 0.11 0.21 -0.36 -0.55 8.34 7.75 2j49A1 PHE 237 HA -0.04 0.11 0.58 -0.75 4.62 4.52 2j49A1 PHE 237 HB2 -0.17 0.04 0.15 -0.04 3.15 3.13 2j49A1 PHE 237 HB3 -0.46 -0.02 -0.05 -0.04 3.06 2.49 2j49A1 PHE 237 HD2 -0.26 0.11 -0.02 -0.04 7.28 7.07 2j49A1 PHE 237 HE2 -0.20 -0.06 -0.04 -0.04 7.38 7.04 2j49A1 PHE 237 HZ 0.03 -0.05 -0.06 -0.04 7.32 7.20 2j49A1 GLN 238 H 0.07 0.34 -0.10 -0.55 8.47 8.24 2j49A1 GLN 238 HA 0.20 0.09 0.37 -0.75 4.36 4.27 2j49A1 GLN 238 HB2 0.04 0.03 0.05 -0.04 2.15 2.23 2j49A1 GLN 238 HB3 0.07 -0.05 0.00 -0.04 2.02 2.00 2j49A1 GLN 238 HG2 0.05 -0.05 -0.04 -0.04 2.40 2.32 2j49A1 GLN 238 HG3 0.03 0.26 0.05 -0.04 2.39 2.68 2j49A1 GLN 238 HE21 0.00 -0.06 -0.07 -0.04 6.97 6.80 2j49A1 GLN 238 HE22 0.02 0.05 -0.08 -0.04 7.69 7.64 2j49A1 SER 239 H -0.06 0.36 -0.23 -0.55 8.46 7.98 2j49A1 SER 239 HA 0.04 -0.00 0.35 -0.75 4.49 4.12 2j49A1 SER 239 HB2 0.08 -0.10 0.06 -0.04 3.95 3.95 2j49A1 SER 239 HB3 0.03 0.01 0.10 -0.04 3.93 4.02 2j49A1 HIS 240 H -0.27 0.35 -0.38 -0.55 8.41 7.57 2j49A1 HIS 240 HA 0.07 0.05 0.61 -0.75 4.63 4.61 2j49A1 HIS 240 HB2 0.04 0.01 0.04 -0.04 3.26 3.30 2j49A1 HIS 240 HB3 0.03 0.01 -0.08 -0.04 3.20 3.12 2j49A1 HIS 240 HD2 0.04 0.20 -0.30 -0.04 6.97 6.86 2j49A1 HIS 240 HE1 -0.03 -0.12 0.04 -0.04 7.75 7.60 2j49A1 LYS 241 H 0.15 0.03 0.07 -0.55 8.42 8.12 2j49A1 LYS 241 HA 0.15 0.25 0.50 -0.75 4.32 4.47 2j49A1 LYS 241 HB2 0.09 -0.11 -0.13 -0.04 1.87 1.68 2j49A1 LYS 241 HB3 0.08 -0.01 -0.50 -0.04 1.79 1.33 2j49A1 LYS 241 HG2 0.02 0.20 -0.09 -0.04 1.46 1.55 2j49A1 LYS 241 HG3 0.06 -0.10 0.02 -0.04 1.46 1.41 2j49A1 LYS 241 HD2 0.01 -0.05 -0.06 -0.04 1.69 1.55 2j49A1 LYS 241 HD3 0.03 -0.10 -0.13 -0.04 1.68 1.44 2j49A1 LYS 241 HE2 0.00 0.04 -0.59 -0.04 2.99 2.40 2j49A1 LYS 241 HE3 -0.05 0.11 -0.29 -0.04 2.99 2.73 2j49A1 TYR 242 H 0.31 0.71 0.41 -0.55 8.29 9.17 2j49A1 TYR 242 HA 0.20 0.06 0.64 -0.75 4.56 4.70 2j49A1 TYR 242 HB2 0.49 0.11 0.17 -0.04 3.06 3.79 2j49A1 TYR 242 HB3 0.29 -0.07 0.18 -0.04 2.98 3.33 2j49A1 TYR 242 HD2 0.12 -0.01 -0.19 -0.04 7.15 7.03 2j49A1 TYR 242 HE2 0.16 -0.03 -0.03 -0.04 6.85 6.91 2j49A1 ARG 243 H -0.18 0.15 0.19 -0.55 8.46 8.07 2j49A1 ARG 243 HA 0.05 0.24 0.60 -0.75 4.34 4.48 2j49A1 ARG 243 HB2 -0.13 -0.04 0.16 -0.04 1.90 1.84 2j49A1 ARG 243 HB3 -0.04 -0.03 -0.01 -0.04 1.80 1.68 2j49A1 ARG 243 HG2 0.00 0.05 -0.03 -0.04 1.67 1.66 2j49A1 ARG 243 HG3 -0.04 0.07 0.04 -0.04 1.67 1.70 2j49A1 ARG 243 HD2 -0.04 -0.04 -0.02 -0.04 3.22 3.08 2j49A1 ARG 243 HD3 -0.02 -0.00 -0.02 -0.04 3.22 3.13 2j49A1 ILE 244 H 0.10 0.57 0.30 -0.55 8.25 8.67 2j49A1 ILE 244 HA 0.10 0.14 0.71 -0.75 4.18 4.37 2j49A1 ILE 244 HB 0.19 -0.01 -0.11 -0.04 1.89 1.91 2j49A1 ILE 244 HG12 0.24 0.09 -0.17 -0.04 1.49 1.61 2j49A1 ILE 244 HG13 0.15 -0.00 -0.08 -0.04 1.21 1.24 2j49A1 ILE 244 HG23 0.39 0.01 -0.20 -0.04 0.93 1.10 2j49A1 ILE 244 HD13 0.14 -0.02 -0.18 -0.04 0.88 0.78 2j49A1 THR 245 H 0.08 0.20 0.16 -0.55 8.28 8.17 2j49A1 THR 245 HA 0.07 0.26 1.15 -0.75 4.39 5.11 2j49A1 THR 245 HB 0.05 0.02 0.06 -0.04 4.32 4.41 2j49A1 THR 245 HG23 0.02 0.00 -0.05 -0.04 1.22 1.16 2j49A1 MET 246 H 0.08 0.58 0.21 -0.55 8.47 8.79 2j49A1 MET 246 HA 0.11 0.10 0.67 -0.75 4.52 4.64 2j49A1 MET 246 HB2 0.11 -0.09 0.06 -0.04 2.15 2.19 2j49A1 MET 246 HB3 0.14 0.14 -0.31 -0.04 2.03 1.96 2j49A1 MET 246 HG2 0.09 0.00 -0.20 -0.04 2.63 2.48 2j49A1 MET 246 HG3 0.08 0.02 -0.28 -0.04 2.56 2.34 2j49A1 MET 246 HE3 0.12 -0.01 -0.24 -0.04 2.10 1.93 2j49A1 SER 247 H 0.09 0.18 0.17 -0.55 8.46 8.36 2j49A1 SER 247 HA 0.06 -0.03 0.65 -0.75 4.49 4.42 2j49A1 SER 247 HB2 0.09 0.16 0.18 -0.04 3.95 4.34 2j49A1 SER 247 HB3 0.12 -0.08 0.14 -0.04 3.93 4.07 2j49A1 LYS 248 H 0.05 0.20 0.20 -0.55 8.42 8.32 2j49A1 LYS 248 HA 0.05 0.15 0.51 -0.75 4.32 4.27 2j49A1 LYS 248 HB2 0.04 0.09 0.12 -0.04 1.87 2.08 2j49A1 LYS 248 HB3 0.04 -0.03 0.17 -0.04 1.79 1.93 2j49A1 LYS 248 HG2 0.03 0.07 -0.02 -0.04 1.46 1.50 2j49A1 LYS 248 HG3 0.03 -0.02 -0.23 -0.04 1.46 1.19 2j49A1 LYS 248 HD2 0.03 -0.05 0.02 -0.04 1.69 1.64 2j49A1 LYS 248 HD3 0.03 0.03 0.03 -0.04 1.68 1.72 2j49A1 LYS 248 HE2 0.02 0.04 -0.01 -0.04 2.99 3.00 2j49A1 LYS 248 HE3 0.02 0.03 -0.01 -0.04 2.99 2.99 2j49A1 THR 249 H 0.06 0.11 -0.08 -0.55 8.28 7.83 2j49A1 THR 249 HA 0.01 0.12 0.30 -0.75 4.39 4.06 2j49A1 THR 249 HB 0.14 -0.04 0.06 -0.04 4.32 4.44 2j49A1 THR 249 HG23 -0.02 0.03 -0.09 -0.04 1.22 1.10 2j49A1 THR 250 H 0.08 0.01 -0.43 -0.55 8.28 7.39 2j49A1 THR 250 HA -0.03 0.10 0.48 -0.75 4.39 4.19 2j49A1 THR 250 HB 0.10 0.09 0.06 -0.04 4.32 4.53 2j49A1 THR 250 HG23 0.10 0.01 -0.06 -0.04 1.22 1.23 2j49A1 LEU 251 H 0.07 0.53 -0.08 -0.55 8.37 8.34 2j49A1 LEU 251 HA 0.09 0.06 0.39 -0.75 4.35 4.14 2j49A1 LEU 251 HB2 0.07 0.01 0.02 -0.04 1.64 1.70 2j49A1 LEU 251 HB3 0.05 0.05 0.12 -0.04 1.64 1.82 2j49A1 LEU 251 HG 0.05 -0.05 -0.21 -0.04 1.64 1.39 2j49A1 LEU 251 HD13 0.06 0.01 -0.03 -0.04 0.93 0.93 2j49A1 LEU 251 HD23 0.04 0.01 -0.06 -0.04 0.89 0.84 2j49A1 ASN 252 H 0.04 0.60 -0.17 -0.55 8.53 8.45 2j49A1 ASN 252 HA 0.06 0.03 0.45 -0.75 4.76 4.54 2j49A1 ASN 252 HB2 0.02 0.04 0.07 -0.04 2.88 2.97 2j49A1 ASN 252 HB3 0.02 -0.01 -0.05 -0.04 2.79 2.71 2j49A1 ASN 252 HD21 0.03 0.02 -0.05 -0.04 7.03 6.99 2j49A1 ASN 252 HD22 0.04 -0.09 -0.22 -0.04 7.74 7.43 2j49A1 LEU 253 H 0.03 0.60 -0.11 -0.55 8.37 8.34 2j49A1 LEU 253 HA 0.10 0.01 0.50 -0.75 4.35 4.21 2j49A1 LEU 253 HB2 -0.10 0.31 0.28 -0.04 1.64 2.08 2j49A1 LEU 253 HB3 0.18 0.06 0.11 -0.04 1.64 1.94 2j49A1 LEU 253 HG 0.32 0.01 -0.02 -0.04 1.64 1.90 2j49A1 LEU 253 HD13 -0.11 -0.01 0.03 -0.04 0.93 0.80 2j49A1 LEU 253 HD23 -0.65 -0.02 -0.02 -0.04 0.89 0.16 2j49A1 LEU 254 H 0.18 0.63 -0.20 -0.55 8.37 8.43 2j49A1 LEU 254 HA -0.06 0.02 0.41 -0.75 4.35 3.96 2j49A1 LEU 254 HB2 0.26 -0.01 0.07 -0.04 1.64 1.92 2j49A1 LEU 254 HB3 0.12 0.16 0.20 -0.04 1.64 2.09 2j49A1 LEU 254 HG 0.06 -0.02 -0.26 -0.04 1.64 1.37 2j49A1 LEU 254 HD13 0.13 -0.02 -0.05 -0.04 0.93 0.95 2j49A1 LEU 254 HD23 0.12 -0.01 -0.06 -0.04 0.89 0.90 2j49A1 LEU 255 H 0.06 0.72 0.03 -0.55 8.37 8.63 2j49A1 LEU 255 HA -0.03 0.00 0.41 -0.75 4.35 3.98 2j49A1 LEU 255 HB2 0.04 0.03 0.10 -0.04 1.64 1.77 2j49A1 LEU 255 HB3 0.00 -0.04 0.00 -0.04 1.64 1.56 2j49A1 LEU 255 HG 0.04 0.19 0.05 -0.04 1.64 1.88 2j49A1 LEU 255 HD13 0.02 -0.01 -0.06 -0.04 0.93 0.84 2j49A1 LEU 255 HD23 0.00 -0.01 -0.04 -0.04 0.89 0.79 2j49A1 TYR 256 H 0.14 0.61 -0.19 -0.55 8.29 8.29 2j49A1 TYR 256 HA -0.06 0.01 0.53 -0.75 4.56 4.28 2j49A1 TYR 256 HB2 -0.01 0.05 0.13 -0.04 3.06 3.19 2j49A1 TYR 256 HB3 0.00 0.12 0.15 -0.04 2.98 3.21 2j49A1 TYR 256 HD2 0.00 0.02 -0.08 -0.04 7.15 7.06 2j49A1 TYR 256 HE2 0.00 -0.00 -0.02 -0.04 6.85 6.79 2j49A1 PHE 257 H -0.01 0.46 -0.25 -0.55 8.34 8.00 2j49A1 PHE 257 HA -0.32 0.02 0.34 -0.75 4.62 3.91 2j49A1 PHE 257 HB2 -0.83 0.01 0.08 -0.04 3.15 2.37 2j49A1 PHE 257 HB3 -1.20 0.13 0.15 -0.04 3.06 2.09 2j49A1 PHE 257 HD2 -0.65 0.01 -0.10 -0.04 7.28 6.50 2j49A1 PHE 257 HE2 -0.17 -0.02 -0.15 -0.04 7.38 7.00 2j49A1 PHE 257 HZ -0.07 0.05 -0.18 -0.04 7.32 7.08 2j49A1 LEU 258 H -0.20 0.55 -0.07 -0.55 8.37 8.10 2j49A1 LEU 258 HA -0.46 0.03 0.51 -0.75 4.35 3.67 2j49A1 LEU 258 HB2 -0.13 0.07 0.06 -0.04 1.64 1.60 2j49A1 LEU 258 HB3 -0.15 -0.00 0.07 -0.04 1.64 1.52 2j49A1 LEU 258 HG -0.07 0.20 0.06 -0.04 1.64 1.79 2j49A1 LEU 258 HD13 -0.02 -0.03 -0.13 -0.04 0.93 0.72 2j49A1 LEU 258 HD23 -0.03 -0.01 -0.03 -0.04 0.89 0.77 2j49A1 ASN 259 H -0.24 0.52 -0.33 -0.55 8.53 7.94 2j49A1 ASN 259 HA -0.19 -0.03 0.45 -0.75 4.76 4.24 2j49A1 ASN 259 HB2 -0.25 0.22 0.26 -0.04 2.88 3.07 2j49A1 ASN 259 HB3 -0.25 -0.04 -0.01 -0.04 2.79 2.45 2j49A1 ASN 259 HD21 -0.06 -0.08 -0.04 -0.04 7.03 6.82 2j49A1 ASN 259 HD22 -0.08 0.39 -0.07 -0.04 7.74 7.95 2j49A1 GLU 260 H -0.45 0.57 -0.09 -0.55 8.60 8.08 2j49A1 GLU 260 HA -0.28 0.03 0.41 -0.75 4.29 3.70 2j49A1 GLU 260 HB2 -0.38 0.08 0.05 -0.04 2.09 1.80 2j49A1 GLU 260 HB3 -0.25 -0.06 0.13 -0.04 1.99 1.77 2j49A1 GLU 260 HG2 -0.82 0.48 0.11 -0.04 2.34 2.06 2j49A1 GLU 260 HG3 -0.49 -0.07 0.01 -0.04 2.34 1.75 2j49A1 ASN 261 H -0.41 0.23 -0.89 -0.55 8.53 6.92 2j49A1 ASN 261 HA -0.25 0.17 0.87 -0.75 4.76 4.80 2j49A1 ASN 261 HB2 -0.68 0.13 0.09 -0.04 2.88 2.37 2j49A1 ASN 261 HB3 -0.33 -0.15 0.15 -0.04 2.79 2.41 2j49A1 ASN 261 HD21 -0.76 -0.05 -0.09 -0.04 7.03 6.09 2j49A1 ASN 261 HD22 -1.95 0.39 -0.02 -0.04 7.74 6.12 2j49A1 GLU 262 H -0.20 0.52 -0.15 -0.55 8.60 8.22 2j49A1 GLU 262 HA -0.15 -0.18 0.45 -0.75 4.29 3.66 2j49A1 GLU 262 HB2 -0.10 -0.07 0.12 -0.04 2.09 1.99 2j49A1 GLU 262 HB3 -0.14 0.24 0.22 -0.04 1.99 2.28 2j49A1 GLU 262 HG2 -0.12 0.06 0.09 -0.04 2.34 2.32 2j49A1 GLU 262 HG3 -0.09 -0.03 -0.08 -0.04 2.34 2.11 2j49A1 SER 263 H -0.11 0.21 -0.20 -0.55 8.46 7.81 2j49A1 SER 263 HA -0.07 0.11 0.39 -0.75 4.49 4.17 2j49A1 SER 263 HB2 -0.05 0.04 0.08 -0.04 3.95 3.98 2j49A1 SER 263 HB3 -0.06 0.01 0.06 -0.04 3.93 3.90 2j49A1 ILE 264 H -0.11 0.34 -0.35 -0.55 8.25 7.58 2j49A1 ILE 264 HA -0.04 0.16 0.70 -0.75 4.18 4.25 2j49A1 ILE 264 HB -0.11 0.09 0.07 -0.04 1.89 1.91 2j49A1 ILE 264 HG12 -0.04 0.03 -0.03 -0.04 1.49 1.41 2j49A1 ILE 264 HG13 -0.06 -0.11 -0.26 -0.04 1.21 0.74 2j49A1 ILE 264 HG23 -0.01 -0.00 0.03 -0.04 0.93 0.90 2j49A1 ILE 264 HD13 -0.10 -0.00 0.01 -0.04 0.88 0.75 2j49A1 GLY 265 H -0.09 0.21 -0.21 -0.55 8.43 7.79 2j49A1 GLY 265 HA2 -0.09 -0.02 0.27 -0.51 4.01 3.67 2j49A1 GLY 265 HA3 -0.07 0.16 0.85 -0.51 4.01 4.45 2j49A1 GLY 266 H -0.15 0.56 0.10 -0.55 8.43 8.40 2j49A1 GLY 266 HA2 -0.16 0.02 0.43 -0.51 4.01 3.79 2j49A1 GLY 266 HA3 -0.20 0.38 0.11 -0.51 4.01 3.79 2j49A1 SER 267 H -0.11 0.26 0.00 -0.55 8.46 8.06 2j49A1 SER 267 HA -0.09 0.06 0.35 -0.75 4.49 4.06 2j49A1 SER 267 HB2 -0.08 0.01 0.02 -0.04 3.95 3.85 2j49A1 SER 267 HB3 -0.07 0.03 0.02 -0.04 3.93 3.87 2j49A1 LEU 268 H -0.11 0.13 -0.26 -0.55 8.37 7.59 2j49A1 LEU 268 HA -0.11 0.06 0.40 -0.75 4.35 3.95 2j49A1 LEU 268 HB2 -0.19 -0.03 0.07 -0.04 1.64 1.45 2j49A1 LEU 268 HB3 -0.18 0.20 0.12 -0.04 1.64 1.74 2j49A1 LEU 268 HG -0.32 0.03 -0.26 -0.04 1.64 1.05 2j49A1 LEU 268 HD13 -0.42 0.00 0.01 -0.04 0.93 0.48 2j49A1 LEU 268 HD23 -0.76 -0.01 -0.03 -0.04 0.89 0.06 2j49A1 ILE 269 H -0.09 0.40 -0.19 -0.55 8.25 7.82 2j49A1 ILE 269 HA -0.02 0.06 0.46 -0.75 4.18 3.93 2j49A1 ILE 269 HB -0.04 0.08 0.10 -0.04 1.89 1.99 2j49A1 ILE 269 HG12 -0.06 0.17 0.07 -0.04 1.49 1.62 2j49A1 ILE 269 HG13 -0.02 0.01 -0.07 -0.04 1.21 1.09 2j49A1 ILE 269 HG23 0.04 -0.01 -0.08 -0.04 0.93 0.84 2j49A1 ILE 269 HD13 0.05 -0.03 -0.19 -0.04 0.88 0.66 2j49A1 ILE 270 H -0.06 0.57 -0.02 -0.55 8.25 8.18 2j49A1 ILE 270 HA -0.02 0.00 0.38 -0.75 4.18 3.78 2j49A1 ILE 270 HB -0.06 0.09 0.10 -0.04 1.89 1.98 2j49A1 ILE 270 HG12 -0.05 -0.04 -0.00 -0.04 1.49 1.36 2j49A1 ILE 270 HG13 -0.07 0.11 0.02 -0.04 1.21 1.22 2j49A1 ILE 270 HG23 -0.04 -0.01 -0.11 -0.04 0.93 0.73 2j49A1 ILE 270 HD13 -0.09 -0.03 -0.21 -0.04 0.88 0.50 2j49A1 SER 271 H -0.05 0.48 -0.33 -0.55 8.46 8.01 2j49A1 SER 271 HA -0.05 0.02 0.43 -0.75 4.49 4.13 2j49A1 SER 271 HB2 -0.05 -0.02 0.07 -0.04 3.95 3.91 2j49A1 SER 271 HB3 -0.06 0.13 0.15 -0.04 3.93 4.10 2j49A1 VAL 272 H -0.02 0.39 -0.18 -0.55 8.24 7.88 2j49A1 VAL 272 HA 0.07 0.06 0.53 -0.75 4.13 4.03 2j49A1 VAL 272 HB 0.04 0.09 0.16 -0.04 2.12 2.37 2j49A1 VAL 272 HG13 0.11 -0.00 -0.10 -0.04 0.97 0.94 2j49A1 VAL 272 HG23 0.03 0.06 0.00 -0.04 0.95 1.00 2j49A1 ILE 273 H 0.00 0.53 -0.07 -0.55 8.25 8.16 2j49A1 ILE 273 HA 0.02 0.01 0.48 -0.75 4.18 3.94 2j49A1 ILE 273 HB 0.01 0.09 0.12 -0.04 1.89 2.07 2j49A1 ILE 273 HG12 0.07 -0.03 -0.03 -0.04 1.49 1.45 2j49A1 ILE 273 HG13 0.04 0.19 0.02 -0.04 1.21 1.42 2j49A1 ILE 273 HG23 0.04 -0.01 -0.14 -0.04 0.93 0.77 2j49A1 ILE 273 HD13 0.04 -0.04 -0.13 -0.04 0.88 0.72 2j49A1 ASN 274 H -0.04 0.61 -0.06 -0.55 8.53 8.49 2j49A1 ASN 274 HA -0.03 0.04 0.51 -0.75 4.76 4.53 2j49A1 ASN 274 HB2 -0.04 -0.01 0.11 -0.04 2.88 2.90 2j49A1 ASN 274 HB3 -0.06 0.04 0.12 -0.04 2.79 2.85 2j49A1 ASN 274 HD21 -0.04 -0.05 -0.04 -0.04 7.03 6.85 2j49A1 ASN 274 HD22 -0.06 0.03 -0.10 -0.04 7.74 7.57 2j49A1 GLN 275 H -0.15 0.22 -0.35 -0.55 8.47 7.65 2j49A1 GLN 275 HA -0.15 0.26 1.08 -0.75 4.36 4.80 2j49A1 GLN 275 HB2 -0.23 -0.04 0.08 -0.04 2.15 1.92 2j49A1 GLN 275 HB3 -0.19 -0.04 -0.03 -0.04 2.02 1.73 2j49A1 GLN 275 HG2 -0.46 0.09 0.03 -0.04 2.40 2.02 2j49A1 GLN 275 HG3 -1.25 0.03 -0.28 -0.04 2.39 0.85 2j49A1 GLN 275 HE21 -0.07 -0.06 -0.04 -0.04 6.97 6.76 2j49A1 GLN 275 HE22 -0.11 0.02 -0.07 -0.04 7.69 7.49 2j49A1 HIS 276 H -0.17 0.33 0.02 -0.55 8.41 8.05 2j49A1 HIS 276 HA -0.26 0.22 0.94 -0.75 4.63 4.77 2j49A1 HIS 276 HB2 -0.57 0.19 0.13 -0.04 3.26 2.97 2j49A1 HIS 276 HB3 -1.89 -0.05 0.09 -0.04 3.20 1.31 2j49A1 HIS 276 HD2 -0.14 -0.07 0.02 -0.04 6.97 6.74 2j49A1 HIS 276 HE1 0.00 -0.00 -0.05 -0.04 7.75 7.66 2j49A1 LEU 277 H -0.03 0.26 0.06 -0.55 8.37 8.10 2j49A1 LEU 277 HA 0.15 0.18 0.99 -0.75 4.35 4.92 2j49A1 LEU 277 HB2 0.05 0.04 0.20 -0.04 1.64 1.89 2j49A1 LEU 277 HB3 0.11 -0.05 -0.08 -0.04 1.64 1.57 2j49A1 LEU 277 HG 0.22 0.04 -0.05 -0.04 1.64 1.81 2j49A1 LEU 277 HD13 0.13 0.01 -0.24 -0.04 0.93 0.79 2j49A1 LEU 277 HD23 0.11 -0.03 -0.07 -0.04 0.89 0.86 2j49A1 ASP 278 H 0.14 0.78 0.04 -0.55 8.40 8.82 2j49A1 ASP 278 HA 0.05 0.21 0.76 -0.75 4.63 4.89 2j49A1 ASP 278 HB2 0.07 0.01 -0.25 -0.04 2.71 2.49 2j49A1 ASP 278 HB3 0.06 -0.08 -0.10 -0.04 2.70 2.54 2j49A1 PRO 279 HA 0.08 0.21 0.67 -0.51 4.44 4.89 2j49A1 PRO 279 HB2 0.05 -0.06 -0.00 -0.04 2.28 2.23 2j49A1 PRO 279 HB3 0.08 -0.04 -0.06 -0.04 2.02 1.96 2j49A1 PRO 279 HG2 0.05 0.02 -0.02 -0.04 2.03 2.03 2j49A1 PRO 279 HG3 0.07 0.02 -0.13 -0.04 2.03 1.95 2j49A1 PRO 279 HD2 0.04 0.05 0.15 -0.04 3.68 3.87 2j49A1 PRO 279 HD3 0.05 0.55 -0.17 -0.04 3.65 4.03 2j49A1 ASN 280 H 0.06 0.83 0.46 -0.55 8.53 9.33 2j49A1 ASN 280 HA 0.03 0.13 0.87 -0.75 4.76 5.04 2j49A1 ASN 280 HB2 0.02 0.05 0.07 -0.04 2.88 2.99 2j49A1 ASN 280 HB3 0.03 -0.04 0.22 -0.04 2.79 2.97 2j49A1 ASN 280 HD21 0.02 -0.01 -0.08 -0.04 7.03 6.92 2j49A1 ASN 280 HD22 0.02 0.04 0.03 -0.04 7.74 7.79 2j49A1 ILE 281 H 0.03 0.25 0.04 -0.55 8.25 8.02 2j49A1 ILE 281 HA 0.05 0.22 0.57 -0.75 4.18 4.27 2j49A1 ILE 281 HB 0.03 0.05 0.12 -0.04 1.89 2.05 2j49A1 ILE 281 HG12 0.05 -0.05 -0.12 -0.04 1.49 1.33 2j49A1 ILE 281 HG13 0.05 -0.02 -0.27 -0.04 1.21 0.93 2j49A1 ILE 281 HG23 0.04 -0.03 -0.13 -0.04 0.93 0.76 2j49A1 ILE 281 HD13 0.03 0.02 -0.02 -0.04 0.88 0.87 2j49A1 VAL 282 H 0.05 0.49 0.22 -0.55 8.24 8.45 2j49A1 VAL 282 HA 0.03 0.26 0.67 -0.75 4.13 4.34 2j49A1 VAL 282 HB 0.04 -0.05 -0.04 -0.04 2.12 2.03 2j49A1 VAL 282 HG13 0.03 0.00 0.02 -0.04 0.97 0.98 2j49A1 VAL 282 HG23 0.03 0.06 -0.25 -0.04 0.95 0.76