============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. TRP 6 1.040 53.352 -9.401 19.622 -99.200 -91.000 TRP6 6 1.020 51.109 -10.143 19.764 -99.200 -91.000 TYR 9 0.840 47.518 -4.550 32.026 -99.200 -91.000 HIS 12 0.900 46.480 -12.117 29.492 -99.200 -91.000 TYR 14 0.840 47.082 -7.090 26.297 -99.200 -91.000 PHE 17 1.000 49.208 -7.192 14.190 -99.200 -91.000 TRP 23 1.040 35.045 -9.313 15.368 -99.200 -91.000 TRP6 23 1.020 35.078 -11.654 15.726 -99.200 -91.000 PHE 29 1.000 47.208 -10.602 10.665 -99.200 -91.000 HIS 34 0.900 53.036 -16.205 20.811 -99.200 -91.000 HIS 38 0.900 41.673 -16.669 20.595 -99.200 -91.000 PHE 42 1.000 39.611 -3.471 25.725 -99.200 -91.000 PHE 50 1.000 49.374 -2.431 28.153 -99.200 -91.000 PHE 56 1.000 45.680 9.159 20.714 -99.200 -91.000 PHE 59 1.000 49.188 1.249 14.230 -99.200 -91.000 HIS 61 0.900 40.002 9.370 15.968 -99.200 -91.000 PHE 64 1.000 43.231 0.777 16.862 -99.200 -91.000 TRP 65 1.040 37.241 -5.191 13.420 -99.200 -91.000 TRP6 65 1.020 34.929 -4.725 13.580 -99.200 -91.000 TRP 72 1.040 23.220 -6.083 20.014 -99.200 -91.000 TRP6 72 1.020 23.955 -4.366 18.555 -99.200 -91.000 TRP 77 1.040 16.888 -9.304 17.609 -99.200 -91.000 TRP6 77 1.020 16.940 -6.953 17.332 -99.200 -91.000 TRP 79 1.040 7.473 -8.755 14.466 -99.200 -91.000 TRP6 79 1.020 8.180 -6.758 13.407 -99.200 -91.000 TYR 87 0.840 9.458 -9.658 5.218 -99.200 -91.000 TRP 90 1.040 17.439 -9.250 10.600 -99.200 -91.000 TRP6 90 1.020 17.322 -8.195 12.717 -99.200 -91.000 TYR 95 0.840 25.194 -3.448 13.513 -99.200 -91.000 TYR 98 0.840 33.973 0.826 16.838 -99.200 -91.000 PHE 99 1.000 40.491 -0.016 21.396 -99.200 -91.000 TRP 106 1.040 33.555 -2.484 26.032 -99.200 -91.000 TRP6 106 1.020 32.755 -4.652 26.522 -99.200 -91.000 PHE 117 1.000 43.943 -6.693 13.142 -99.200 -91.000 PHE 121 1.000 51.204 -13.918 23.017 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1j35B1 ASP 201 HA 0.03 -0.12 0.16 -0.75 4.63 3.95 1j35B1 ASP 201 HB2 0.02 -0.05 0.03 -0.04 2.71 2.67 1j35B1 ASP 201 HB3 0.03 -0.01 0.07 -0.04 2.70 2.75 1j35B1 CYS 202 H 0.03 -0.03 -0.04 -0.55 8.50 7.92 1j35B1 CYS 202 HA -0.02 0.03 0.26 -0.75 4.58 4.10 1j35B1 CYS 202 HB2 0.15 0.03 -0.24 -0.04 2.97 2.86 1j35B1 CYS 202 HB3 0.07 0.02 -0.07 -0.04 2.97 2.94 1j35B1 PRO 203 HA 0.10 0.06 0.39 -0.51 4.44 4.48 1j35B1 PRO 203 HB2 0.37 -0.04 -0.02 -0.04 2.28 2.55 1j35B1 PRO 203 HB3 0.18 0.02 0.10 -0.04 2.02 2.29 1j35B1 PRO 203 HG2 -0.34 0.09 0.03 -0.04 2.03 1.77 1j35B1 PRO 203 HG3 0.02 0.06 0.07 -0.04 2.03 2.14 1j35B1 PRO 203 HD2 -0.44 0.06 0.08 -0.04 3.68 3.33 1j35B1 PRO 203 HD3 -0.05 0.13 0.12 -0.04 3.65 3.81 1j35B1 SER 204 H 0.14 0.10 0.16 -0.55 8.46 8.32 1j35B1 SER 204 HA 0.12 0.14 0.35 -0.75 4.49 4.35 1j35B1 SER 204 HB2 0.08 0.02 0.09 -0.04 3.95 4.10 1j35B1 SER 204 HB3 0.09 -0.00 0.15 -0.04 3.93 4.12 1j35B1 ASP 205 H 0.32 -0.04 -0.44 -0.55 8.40 7.70 1j35B1 ASP 205 HA 0.07 0.18 0.69 -0.75 4.63 4.82 1j35B1 ASP 205 HB2 -0.05 0.03 0.10 -0.04 2.71 2.74 1j35B1 ASP 205 HB3 0.08 -0.03 0.03 -0.04 2.70 2.75 1j35B1 TRP 206 H 0.47 0.64 -0.36 -0.55 7.97 8.16 1j35B1 TRP 206 HA 0.07 0.24 0.95 -0.75 4.62 5.12 1j35B1 TRP 206 HB2 0.11 0.01 -0.12 -0.04 3.23 3.19 1j35B1 TRP 206 HB3 0.10 -0.09 0.04 -0.04 3.23 3.24 1j35B1 TRP 206 HD1 0.13 -0.21 -0.28 -0.04 7.22 6.81 1j35B1 TRP 206 HE1 0.22 0.02 -0.11 -0.04 10.20 10.29 1j35B1 TRP 206 HE3 0.08 -0.08 -0.68 -0.04 7.59 6.87 1j35B1 TRP 206 HZ2 0.30 0.07 -0.19 -0.04 7.44 7.57 1j35B1 TRP 206 HZ3 0.24 0.06 -0.49 -0.04 7.13 6.89 1j35B1 TRP 206 HH2 0.34 -0.01 -0.22 -0.04 7.19 7.25 1j35B1 SER 207 H 0.45 0.50 0.37 -0.55 8.46 9.23 1j35B1 SER 207 HA 0.24 0.15 0.86 -0.75 4.49 4.99 1j35B1 SER 207 HB2 0.32 -0.04 0.07 -0.04 3.95 4.27 1j35B1 SER 207 HB3 0.36 -0.01 0.04 -0.04 3.93 4.27 1j35B1 SER 208 H 0.23 0.16 0.18 -0.55 8.46 8.48 1j35B1 SER 208 HA 0.18 0.38 1.08 -0.75 4.49 5.38 1j35B1 SER 208 HB2 0.07 -0.05 0.05 -0.04 3.95 3.97 1j35B1 SER 208 HB3 0.07 0.00 0.09 -0.04 3.93 4.06 1j35B1 TYR 209 H 0.09 0.52 0.21 -0.55 8.29 8.56 1j35B1 TYR 209 HA -0.33 0.02 0.53 -0.75 4.56 4.03 1j35B1 TYR 209 HB2 -2.18 0.16 -0.01 -0.04 3.06 0.99 1j35B1 TYR 209 HB3 -0.88 0.02 -0.10 -0.04 2.98 1.98 1j35B1 TYR 209 HD2 -0.35 0.04 -0.07 -0.04 7.15 6.74 1j35B1 TYR 209 HE2 -0.12 -0.02 -0.08 -0.04 6.85 6.58 1j35B1 GLU 210 H -0.52 0.17 0.13 -0.55 8.60 7.84 1j35B1 GLU 210 HA -0.34 0.05 0.36 -0.75 4.29 3.60 1j35B1 GLU 210 HB2 -0.58 0.12 -0.16 -0.04 2.09 1.42 1j35B1 GLU 210 HB3 -0.35 0.04 0.21 -0.04 1.99 1.84 1j35B1 GLU 210 HG2 -1.43 -0.04 -0.03 -0.04 2.34 0.80 1j35B1 GLU 210 HG3 -0.79 -0.04 -0.06 -0.04 2.34 1.42 1j35B1 GLY 211 H -0.11 0.05 -0.11 -0.55 8.43 7.72 1j35B1 GLY 211 HA2 -0.03 0.02 0.30 -0.51 4.01 3.79 1j35B1 GLY 211 HA3 -0.00 0.11 0.46 -0.51 4.01 4.07 1j35B1 HIS 212 H 0.07 0.27 -0.40 -0.55 8.41 7.80 1j35B1 HIS 212 HA -0.27 0.13 1.09 -0.75 4.63 4.83 1j35B1 HIS 212 HB2 0.17 0.12 0.04 -0.04 3.26 3.56 1j35B1 HIS 212 HB3 -0.47 0.01 0.02 -0.04 3.20 2.72 1j35B1 HIS 212 HD2 -0.06 0.16 -0.48 -0.04 6.97 6.55 1j35B1 HIS 212 HE1 0.08 -0.04 -0.04 -0.04 7.75 7.70 1j35B1 CYS 213 H -0.77 0.57 0.35 -0.55 8.50 8.10 1j35B1 CYS 213 HA -0.01 0.28 1.03 -0.75 4.58 5.13 1j35B1 CYS 213 HB2 -2.12 0.02 0.06 -0.04 2.97 0.89 1j35B1 CYS 213 HB3 -0.36 0.02 -0.03 -0.04 2.97 2.56 1j35B1 TYR 214 H 0.53 0.65 0.40 -0.55 8.29 9.31 1j35B1 TYR 214 HA 0.47 0.37 1.07 -0.75 4.56 5.71 1j35B1 TYR 214 HB2 0.37 -0.00 0.02 -0.04 3.06 3.40 1j35B1 TYR 214 HB3 0.25 -0.01 0.01 -0.04 2.98 3.18 1j35B1 TYR 214 HD2 0.32 0.10 -0.13 -0.04 7.15 7.40 1j35B1 TYR 214 HE2 0.26 0.05 -0.09 -0.04 6.85 7.03 1j35B1 LYS 215 H 0.10 0.45 0.24 -0.55 8.42 8.65 1j35B1 LYS 215 HA -0.23 0.18 0.65 -0.75 4.32 4.16 1j35B1 LYS 215 HB2 -1.47 -0.00 -0.16 -0.04 1.87 0.21 1j35B1 LYS 215 HB3 -1.61 -0.11 -0.02 -0.04 1.79 0.00 1j35B1 LYS 215 HG2 -1.02 0.05 -0.27 -0.04 1.46 0.18 1j35B1 LYS 215 HG3 -0.61 0.22 0.17 -0.04 1.46 1.20 1j35B1 LYS 215 HD2 -1.10 -0.06 -0.22 -0.04 1.69 0.27 1j35B1 LYS 215 HD3 -1.05 -0.12 -0.13 -0.04 1.68 0.35 1j35B1 LYS 215 HE2 -0.85 0.02 -0.03 -0.04 2.99 2.10 1j35B1 LYS 215 HE3 -0.38 0.15 0.07 -0.04 2.99 2.79 1j35B1 PRO 216 HA 0.04 0.22 0.95 -0.51 4.44 5.14 1j35B1 PRO 216 HB2 0.30 0.06 -0.01 -0.04 2.28 2.59 1j35B1 PRO 216 HB3 -0.06 -0.05 0.02 -0.04 2.02 1.88 1j35B1 PRO 216 HG2 -0.06 0.05 0.12 -0.04 2.03 2.10 1j35B1 PRO 216 HG3 -0.13 0.08 -0.05 -0.04 2.03 1.89 1j35B1 PRO 216 HD2 -0.23 0.20 0.23 -0.04 3.68 3.84 1j35B1 PRO 216 HD3 -0.10 0.07 0.01 -0.04 3.65 3.59 1j35B1 PHE 217 H -0.15 0.66 0.42 -0.55 8.34 8.72 1j35B1 PHE 217 HA -0.14 0.19 0.98 -0.75 4.62 4.91 1j35B1 PHE 217 HB2 -1.60 0.01 0.08 -0.04 3.15 1.61 1j35B1 PHE 217 HB3 -0.57 -0.12 0.05 -0.04 3.06 2.38 1j35B1 PHE 217 HD2 -0.02 -0.04 -0.05 -0.04 7.28 7.13 1j35B1 PHE 217 HE2 0.03 -0.02 -0.07 -0.04 7.38 7.29 1j35B1 PHE 217 HZ 0.02 0.02 -0.09 -0.04 7.32 7.22 1j35B1 SER 218 H -0.18 0.14 0.16 -0.55 8.46 8.04 1j35B1 SER 218 HA -0.75 0.18 0.78 -0.75 4.49 3.94 1j35B1 SER 218 HB2 -0.35 0.01 0.10 -0.04 3.95 3.66 1j35B1 SER 218 HB3 -0.86 0.06 0.03 -0.04 3.93 3.12 1j35B1 GLU 219 H -0.18 -0.00 -0.05 -0.55 8.60 7.82 1j35B1 GLU 219 HA -0.12 0.12 0.51 -0.75 4.29 4.05 1j35B1 GLU 219 HB2 -0.13 0.07 -0.08 -0.04 2.09 1.91 1j35B1 GLU 219 HB3 -0.08 -0.00 0.06 -0.04 1.99 1.92 1j35B1 GLU 219 HG2 -0.26 -0.03 0.04 -0.04 2.34 2.05 1j35B1 GLU 219 HG3 -0.43 0.03 -0.03 -0.04 2.34 1.88 1j35B1 PRO 220 HA -0.05 0.22 0.45 -0.51 4.44 4.55 1j35B1 PRO 220 HB2 -0.06 -0.04 0.06 -0.04 2.28 2.20 1j35B1 PRO 220 HB3 -0.10 -0.04 0.00 -0.04 2.02 1.84 1j35B1 PRO 220 HG2 -0.10 -0.02 0.09 -0.04 2.03 1.96 1j35B1 PRO 220 HG3 -0.15 0.12 0.07 -0.04 2.03 2.02 1j35B1 PRO 220 HD2 -0.08 0.02 0.22 -0.04 3.68 3.81 1j35B1 PRO 220 HD3 -0.12 0.23 0.38 -0.04 3.65 4.11 1j35B1 LYS 221 H 0.14 0.63 0.40 -0.55 8.42 9.04 1j35B1 LYS 221 HA 0.01 0.07 0.69 -0.75 4.32 4.34 1j35B1 LYS 221 HB2 -0.10 0.03 -0.05 -0.04 1.87 1.71 1j35B1 LYS 221 HB3 -0.13 -0.15 0.00 -0.04 1.79 1.46 1j35B1 LYS 221 HG2 -0.09 0.03 -0.14 -0.04 1.46 1.22 1j35B1 LYS 221 HG3 -0.00 0.10 -0.78 -0.04 1.46 0.73 1j35B1 LYS 221 HD2 -0.49 -0.00 -0.20 -0.04 1.69 0.95 1j35B1 LYS 221 HD3 -0.26 -0.06 -0.26 -0.04 1.68 1.05 1j35B1 LYS 221 HE2 -0.47 0.01 -0.16 -0.04 2.99 2.34 1j35B1 LYS 221 HE3 -1.00 -0.01 -0.10 -0.04 2.99 1.84 1j35B1 ASN 222 H -0.00 0.03 0.11 -0.55 8.53 8.13 1j35B1 ASN 222 HA 0.31 0.59 0.59 -0.75 4.76 5.50 1j35B1 ASN 222 HB2 0.01 0.22 0.24 -0.04 2.88 3.30 1j35B1 ASN 222 HB3 0.04 0.13 -0.00 -0.04 2.79 2.92 1j35B1 ASN 222 HD21 -0.04 -0.03 0.02 -0.04 7.03 6.94 1j35B1 ASN 222 HD22 -0.02 0.14 0.06 -0.04 7.74 7.88 1j35B1 TRP 223 H -0.35 0.52 0.26 -0.55 7.97 7.86 1j35B1 TRP 223 HA -1.62 0.13 0.31 -0.75 4.62 2.70 1j35B1 TRP 223 HB2 -1.62 0.06 0.21 -0.04 3.23 1.84 1j35B1 TRP 223 HB3 -0.65 -0.13 0.18 -0.04 3.23 2.59 1j35B1 TRP 223 HD1 -1.09 0.03 0.07 -0.04 7.22 6.19 1j35B1 TRP 223 HE1 -0.15 0.60 0.20 -0.04 10.20 10.81 1j35B1 TRP 223 HE3 -0.31 -0.06 -0.24 -0.04 7.59 6.95 1j35B1 TRP 223 HZ2 -0.12 0.01 -0.31 -0.04 7.44 6.97 1j35B1 TRP 223 HZ3 -0.15 0.02 -0.07 -0.04 7.13 6.89 1j35B1 TRP 223 HH2 -0.10 0.07 -0.09 -0.04 7.19 7.02 1j35B1 ALA 224 H 0.01 0.14 -0.02 -0.55 8.40 7.99 1j35B1 ALA 224 HA -0.10 0.07 0.38 -0.75 4.34 3.94 1j35B1 ALA 224 HB3 0.02 0.02 0.04 -0.04 1.41 1.45 1j35B1 ASP 225 H -0.19 0.09 -0.30 -0.55 8.40 7.45 1j35B1 ASP 225 HA -0.16 0.06 0.36 -0.75 4.63 4.13 1j35B1 ASP 225 HB2 -0.16 0.02 0.05 -0.04 2.71 2.58 1j35B1 ASP 225 HB3 -0.14 0.07 -0.03 -0.04 2.70 2.56 1j35B1 ALA 226 H -0.50 0.49 -0.29 -0.55 8.40 7.55 1j35B1 ALA 226 HA -0.92 0.05 0.34 -0.75 4.34 3.05 1j35B1 ALA 226 HB3 -0.82 0.05 -0.02 -0.04 1.41 0.58 1j35B1 GLU 227 H -0.93 0.56 -0.08 -0.55 8.60 7.60 1j35B1 GLU 227 HA -0.45 -0.03 0.37 -0.75 4.29 3.42 1j35B1 GLU 227 HB2 -1.49 -0.02 0.05 -0.04 2.09 0.59 1j35B1 GLU 227 HB3 -0.93 0.09 0.14 -0.04 1.99 1.25 1j35B1 GLU 227 HG2 -0.17 -0.02 -0.04 -0.04 2.34 2.07 1j35B1 GLU 227 HG3 -0.19 0.05 -0.28 -0.04 2.34 1.88 1j35B1 ASN 228 H -0.31 0.54 -0.15 -0.55 8.53 8.06 1j35B1 ASN 228 HA -0.13 0.04 0.41 -0.75 4.76 4.32 1j35B1 ASN 228 HB2 -0.11 -0.03 0.07 -0.04 2.88 2.76 1j35B1 ASN 228 HB3 -0.13 0.06 0.10 -0.04 2.79 2.79 1j35B1 ASN 228 HD21 -0.06 -0.00 -0.03 -0.04 7.03 6.89 1j35B1 ASN 228 HD22 -0.06 -0.02 -0.00 -0.04 7.74 7.61 1j35B1 PHE 229 H -0.11 0.52 -0.27 -0.55 8.34 7.92 1j35B1 PHE 229 HA -0.15 0.01 0.37 -0.75 4.62 4.10 1j35B1 PHE 229 HB2 -0.23 0.02 0.07 -0.04 3.15 2.97 1j35B1 PHE 229 HB3 -0.42 0.14 0.11 -0.04 3.06 2.84 1j35B1 PHE 229 HD2 -0.18 0.01 -0.20 -0.04 7.28 6.87 1j35B1 PHE 229 HE2 -0.75 -0.01 -0.08 -0.04 7.38 6.49 1j35B1 PHE 229 HZ -0.14 -0.02 -0.05 -0.04 7.32 7.07 1j35B1 CYS 230 H -0.11 0.46 -0.32 -0.55 8.50 7.99 1j35B1 CYS 230 HA 0.07 0.02 0.35 -0.75 4.58 4.26 1j35B1 CYS 230 HB2 -0.07 0.15 -0.05 -0.04 2.97 2.96 1j35B1 CYS 230 HB3 0.10 -0.05 -0.31 -0.04 2.97 2.66 1j35B1 THR 231 H -0.15 0.35 -0.32 -0.55 8.28 7.61 1j35B1 THR 231 HA -0.21 0.21 0.47 -0.75 4.39 4.10 1j35B1 THR 231 HB -0.19 -0.11 0.16 -0.04 4.32 4.14 1j35B1 THR 231 HG23 -0.25 0.13 0.12 -0.04 1.22 1.18 1j35B1 GLN 232 H -0.20 0.28 -0.83 -0.55 8.47 7.18 1j35B1 GLN 232 HA -0.15 0.13 0.82 -0.75 4.36 4.40 1j35B1 GLN 232 HB2 -0.32 0.15 0.08 -0.04 2.15 2.01 1j35B1 GLN 232 HB3 -0.23 -0.07 0.09 -0.04 2.02 1.77 1j35B1 GLN 232 HG2 -0.12 -0.02 -0.06 -0.04 2.40 2.15 1j35B1 GLN 232 HG3 -0.14 0.13 -0.09 -0.04 2.39 2.25 1j35B1 GLN 232 HE21 -0.07 -0.04 -0.02 -0.04 6.97 6.79 1j35B1 GLN 232 HE22 -0.09 -0.00 -0.02 -0.04 7.69 7.55 1j35B1 GLN 233 H -0.09 0.39 -0.19 -0.55 8.47 8.03 1j35B1 GLN 233 HA -0.04 0.13 0.75 -0.75 4.36 4.45 1j35B1 GLN 233 HB2 0.40 0.05 0.03 -0.04 2.15 2.58 1j35B1 GLN 233 HB3 0.48 -0.07 0.06 -0.04 2.02 2.45 1j35B1 GLN 233 HG2 -0.43 0.32 0.01 -0.04 2.40 2.25 1j35B1 GLN 233 HG3 -0.24 -0.09 -0.09 -0.04 2.39 1.93 1j35B1 GLN 233 HE21 -1.22 -0.08 -0.11 -0.04 6.97 5.52 1j35B1 GLN 233 HE22 -1.65 0.38 -0.06 -0.04 7.69 6.32 1j35B1 HIS 234 H -0.05 0.30 -0.24 -0.55 8.41 7.87 1j35B1 HIS 234 HA -0.27 -0.00 0.27 -0.75 4.63 3.87 1j35B1 HIS 234 HB2 -0.43 0.25 -0.03 -0.04 3.26 3.01 1j35B1 HIS 234 HB3 -0.86 -0.01 -0.23 -0.04 3.20 2.06 1j35B1 HIS 234 HD2 -0.50 -0.00 0.02 -0.04 6.97 6.44 1j35B1 HIS 234 HE1 -0.42 -0.01 -0.02 -0.04 7.75 7.25 1j35B1 ALA 235 H -0.60 0.09 0.08 -0.55 8.40 7.43 1j35B1 ALA 235 HA -0.14 0.07 0.47 -0.75 4.34 3.98 1j35B1 ALA 235 HB3 -0.15 0.01 0.10 -0.04 1.41 1.33 1j35B1 GLY 236 H -0.08 0.12 0.23 -0.55 8.43 8.16 1j35B1 GLY 236 HA2 0.02 -0.01 0.38 -0.51 4.01 3.89 1j35B1 GLY 236 HA3 0.04 0.01 0.44 -0.51 4.01 3.99 1j35B1 GLY 237 H -0.12 0.27 -0.25 -0.55 8.43 7.78 1j35B1 GLY 237 HA2 0.18 0.23 0.54 -0.51 4.01 4.45 1j35B1 GLY 237 HA3 0.05 0.14 0.21 -0.51 4.01 3.91 1j35B1 HIS 238 H 0.24 0.45 0.37 -0.55 8.41 8.93 1j35B1 HIS 238 HA 0.01 0.11 0.52 -0.75 4.63 4.52 1j35B1 HIS 238 HB2 0.08 0.04 -0.03 -0.04 3.26 3.32 1j35B1 HIS 238 HB3 0.04 -0.12 0.17 -0.04 3.20 3.25 1j35B1 HIS 238 HD2 0.05 0.18 -0.26 -0.04 6.97 6.90 1j35B1 HIS 238 HE1 0.01 -0.07 -0.01 -0.04 7.75 7.64 1j35B1 LEU 239 H 0.07 0.07 0.14 -0.55 8.37 8.11 1j35B1 LEU 239 HA 0.13 0.17 0.54 -0.75 4.35 4.43 1j35B1 LEU 239 HB2 -0.03 -0.07 0.00 -0.04 1.64 1.50 1j35B1 LEU 239 HB3 0.07 0.02 -0.32 -0.04 1.64 1.37 1j35B1 LEU 239 HG -0.44 -0.06 -0.17 -0.04 1.64 0.93 1j35B1 LEU 239 HD13 -1.06 0.02 -0.16 -0.04 0.93 -0.31 1j35B1 LEU 239 HD23 -0.07 0.04 -0.18 -0.04 0.89 0.64 1j35B1 VAL 240 H 0.24 0.60 0.32 -0.55 8.24 8.84 1j35B1 VAL 240 HA 0.27 0.04 0.25 -0.75 4.13 3.94 1j35B1 VAL 240 HB 0.37 0.10 -0.09 -0.04 2.12 2.45 1j35B1 VAL 240 HG13 0.12 -0.00 0.02 -0.04 0.97 1.06 1j35B1 VAL 240 HG23 0.51 -0.01 -0.18 -0.04 0.95 1.22 1j35B1 SER 241 H 0.26 0.22 0.14 -0.55 8.46 8.52 1j35B1 SER 241 HA -0.05 0.07 0.85 -0.75 4.49 4.62 1j35B1 SER 241 HB2 0.12 -0.01 -0.07 -0.04 3.95 3.96 1j35B1 SER 241 HB3 0.09 0.11 -0.02 -0.04 3.93 4.07 1j35B1 PHE 242 H 0.07 0.21 0.01 -0.55 8.34 8.07 1j35B1 PHE 242 HA 0.15 0.11 0.85 -0.75 4.62 4.98 1j35B1 PHE 242 HB2 0.35 0.03 0.12 -0.04 3.15 3.62 1j35B1 PHE 242 HB3 0.27 0.01 -0.00 -0.04 3.06 3.30 1j35B1 PHE 242 HD2 0.18 0.08 -0.31 -0.04 7.28 7.19 1j35B1 PHE 242 HE2 -0.16 0.05 -0.17 -0.04 7.38 7.05 1j35B1 PHE 242 HZ -0.73 0.04 -0.16 -0.04 7.32 6.43 1j35B1 GLN 243 H 0.28 0.24 0.07 -0.55 8.47 8.50 1j35B1 GLN 243 HA 0.22 0.18 0.63 -0.75 4.36 4.64 1j35B1 GLN 243 HB2 0.17 -0.00 0.06 -0.04 2.15 2.34 1j35B1 GLN 243 HB3 0.12 0.01 0.06 -0.04 2.02 2.18 1j35B1 GLN 243 HG2 0.13 0.03 -0.01 -0.04 2.40 2.51 1j35B1 GLN 243 HG3 0.15 0.03 -0.03 -0.04 2.39 2.50 1j35B1 GLN 243 HE21 0.14 0.01 -0.10 -0.04 6.97 6.98 1j35B1 GLN 243 HE22 0.12 0.03 -0.08 -0.04 7.69 7.71 1j35B1 SER 244 H 0.17 0.11 -0.05 -0.55 8.46 8.15 1j35B1 SER 244 HA 0.07 0.24 0.58 -0.75 4.49 4.63 1j35B1 SER 244 HB2 0.04 -0.00 0.15 -0.04 3.95 4.09 1j35B1 SER 244 HB3 0.06 0.20 -0.18 -0.04 3.93 3.98 1j35B1 SER 245 H 0.00 0.26 0.14 -0.55 8.46 8.31 1j35B1 SER 245 HA -0.06 0.14 0.46 -0.75 4.49 4.27 1j35B1 SER 245 HB2 -0.06 0.05 0.05 -0.04 3.95 3.96 1j35B1 SER 245 HB3 -0.04 0.07 0.10 -0.04 3.93 4.02 1j35B1 GLU 246 H -0.01 0.08 -0.17 -0.55 8.60 7.95 1j35B1 GLU 246 HA -0.05 0.15 0.43 -0.75 4.29 4.07 1j35B1 GLU 246 HB2 0.09 -0.05 0.05 -0.04 2.09 2.14 1j35B1 GLU 246 HB3 0.15 0.08 -0.04 -0.04 1.99 2.13 1j35B1 GLU 246 HG2 0.04 0.07 0.01 -0.04 2.34 2.42 1j35B1 GLU 246 HG3 0.02 0.06 0.01 -0.04 2.34 2.38 1j35B1 GLU 247 H -0.02 0.05 -0.23 -0.55 8.60 7.85 1j35B1 GLU 247 HA -0.62 0.11 0.35 -0.75 4.29 3.38 1j35B1 GLU 247 HB2 0.12 -0.00 0.09 -0.04 2.09 2.26 1j35B1 GLU 247 HB3 0.01 -0.02 0.14 -0.04 1.99 2.08 1j35B1 GLU 247 HG2 0.01 -0.00 -0.17 -0.04 2.34 2.14 1j35B1 GLU 247 HG3 0.07 0.05 0.01 -0.04 2.34 2.43 1j35B1 ALA 248 H -0.35 0.36 -0.20 -0.55 8.40 7.66 1j35B1 ALA 248 HA -1.76 0.03 0.31 -0.75 4.34 2.17 1j35B1 ALA 248 HB3 -0.66 0.03 0.05 -0.04 1.41 0.80 1j35B1 ASP 249 H -0.28 0.41 -0.35 -0.55 8.40 7.63 1j35B1 ASP 249 HA -0.22 -0.01 0.34 -0.75 4.63 3.98 1j35B1 ASP 249 HB2 -0.13 0.14 0.19 -0.04 2.71 2.87 1j35B1 ASP 249 HB3 -0.11 -0.02 -0.01 -0.04 2.70 2.52 1j35B1 PHE 250 H -0.29 0.42 -0.24 -0.55 8.34 7.68 1j35B1 PHE 250 HA -0.28 0.02 0.40 -0.75 4.62 4.01 1j35B1 PHE 250 HB2 -0.88 -0.03 0.09 -0.04 3.15 2.30 1j35B1 PHE 250 HB3 -0.94 0.14 0.18 -0.04 3.06 2.40 1j35B1 PHE 250 HD2 -0.49 -0.02 -0.07 -0.04 7.28 6.66 1j35B1 PHE 250 HE2 -0.00 0.02 -0.12 -0.04 7.38 7.24 1j35B1 PHE 250 HZ 0.10 -0.01 -0.26 -0.04 7.32 7.11 1j35B1 VAL 251 H -0.36 0.55 -0.04 -0.55 8.24 7.84 1j35B1 VAL 251 HA -0.38 0.01 0.28 -0.75 4.13 3.29 1j35B1 VAL 251 HB -0.28 0.03 0.02 -0.04 2.12 1.85 1j35B1 VAL 251 HG13 0.18 -0.01 -0.21 -0.04 0.97 0.90 1j35B1 VAL 251 HG23 -0.09 0.05 -0.06 -0.04 0.95 0.81 1j35B1 VAL 252 H -0.43 0.67 -0.17 -0.55 8.24 7.76 1j35B1 VAL 252 HA -0.20 -0.01 0.26 -0.75 4.13 3.43 1j35B1 VAL 252 HB -0.23 0.06 -0.02 -0.04 2.12 1.89 1j35B1 VAL 252 HG13 -0.02 -0.04 -0.40 -0.04 0.97 0.48 1j35B1 VAL 252 HG23 -0.47 0.01 -0.21 -0.04 0.95 0.24 1j35B1 LYS 253 H -0.23 0.44 -0.26 -0.55 8.42 7.82 1j35B1 LYS 253 HA -0.05 0.02 0.42 -0.75 4.32 3.96 1j35B1 LYS 253 HB2 -0.23 0.22 0.22 -0.04 1.87 2.04 1j35B1 LYS 253 HB3 -0.15 -0.04 -0.04 -0.04 1.79 1.52 1j35B1 LYS 253 HG2 -0.12 0.00 0.03 -0.04 1.46 1.34 1j35B1 LYS 253 HG3 -0.09 -0.05 0.02 -0.04 1.46 1.30 1j35B1 LYS 253 HD2 -0.04 -0.01 0.00 -0.04 1.69 1.59 1j35B1 LYS 253 HD3 -0.04 -0.00 0.04 -0.04 1.68 1.64 1j35B1 LYS 253 HE2 -0.11 0.00 -0.02 -0.04 2.99 2.82 1j35B1 LYS 253 HE3 -0.06 -0.03 -0.01 -0.04 2.99 2.85 1j35B1 LEU 254 H -0.43 0.66 -0.01 -0.55 8.37 8.05 1j35B1 LEU 254 HA -0.25 -0.00 0.36 -0.75 4.35 3.70 1j35B1 LEU 254 HB2 -0.79 0.00 0.04 -0.04 1.64 0.84 1j35B1 LEU 254 HB3 -0.38 0.05 0.10 -0.04 1.64 1.37 1j35B1 LEU 254 HG -0.18 0.00 -0.23 -0.04 1.64 1.20 1j35B1 LEU 254 HD13 -0.17 0.00 -0.00 -0.04 0.93 0.72 1j35B1 LEU 254 HD23 -0.06 0.00 -0.15 -0.04 0.89 0.64 1j35B1 ALA 255 H -0.16 0.72 -0.22 -0.55 8.40 8.19 1j35B1 ALA 255 HA -0.18 -0.02 0.36 -0.75 4.34 3.74 1j35B1 ALA 255 HB3 -0.42 0.01 0.01 -0.04 1.41 0.97 1j35B1 PHE 256 H 0.11 0.63 -0.04 -0.55 8.34 8.49 1j35B1 PHE 256 HA 0.06 0.16 0.49 -0.75 4.62 4.58 1j35B1 PHE 256 HB2 0.03 0.26 0.17 -0.04 3.15 3.57 1j35B1 PHE 256 HB3 -0.03 0.00 0.13 -0.04 3.06 3.12 1j35B1 PHE 256 HD2 0.04 0.01 -0.31 -0.04 7.28 6.98 1j35B1 PHE 256 HE2 0.08 -0.05 -0.08 -0.04 7.38 7.28 1j35B1 PHE 256 HZ 0.06 -0.03 -0.02 -0.04 7.32 7.30 1j35B1 GLN 257 H 0.02 0.72 -0.09 -0.55 8.47 8.57 1j35B1 GLN 257 HA -0.02 -0.02 0.43 -0.75 4.36 4.00 1j35B1 GLN 257 HB2 -0.10 0.11 0.11 -0.04 2.15 2.23 1j35B1 GLN 257 HB3 -0.06 -0.07 0.03 -0.04 2.02 1.88 1j35B1 GLN 257 HG2 0.04 -0.09 0.02 -0.04 2.40 2.32 1j35B1 GLN 257 HG3 0.02 0.26 0.07 -0.04 2.39 2.70 1j35B1 GLN 257 HE21 -0.03 -0.04 -0.04 -0.04 6.97 6.82 1j35B1 GLN 257 HE22 -0.01 -0.02 -0.02 -0.04 7.69 7.60 1j35B1 THR 258 H -0.18 0.41 -0.22 -0.55 8.28 7.74 1j35B1 THR 258 HA -0.34 0.05 0.52 -0.75 4.39 3.86 1j35B1 THR 258 HB -0.47 0.00 0.15 -0.04 4.32 3.96 1j35B1 THR 258 HG23 -1.12 -0.01 -0.07 -0.04 1.22 -0.02 1j35B1 PHE 259 H -0.08 0.59 0.09 -0.55 8.34 8.38 1j35B1 PHE 259 HA -0.07 0.18 0.91 -0.75 4.62 4.89 1j35B1 PHE 259 HB2 0.20 0.07 -0.05 -0.04 3.15 3.33 1j35B1 PHE 259 HB3 0.01 -0.07 0.04 -0.04 3.06 3.00 1j35B1 PHE 259 HD2 0.03 0.02 -0.06 -0.04 7.28 7.22 1j35B1 PHE 259 HE2 -0.10 0.02 -0.25 -0.04 7.38 7.01 1j35B1 PHE 259 HZ -0.15 -0.02 -0.06 -0.04 7.32 7.06 1j35B1 GLY 260 H -0.26 0.33 -0.10 -0.55 8.43 7.86 1j35B1 GLY 260 HA2 -1.34 0.17 0.40 -0.51 4.01 2.72 1j35B1 GLY 260 HA3 -0.37 -0.02 0.48 -0.51 4.01 3.59 1j35B1 HIS 261 H -0.01 0.09 0.15 -0.55 8.41 8.10 1j35B1 HIS 261 HA 0.31 -0.04 0.46 -0.75 4.63 4.61 1j35B1 HIS 261 HB2 0.31 -0.01 0.09 -0.04 3.26 3.62 1j35B1 HIS 261 HB3 0.09 0.02 0.18 -0.04 3.20 3.45 1j35B1 HIS 261 HD2 0.15 -0.00 -0.03 -0.04 6.97 7.05 1j35B1 HIS 261 HE1 0.03 -0.03 -0.11 -0.04 7.75 7.60 1j35B1 SER 262 H 0.06 0.14 0.31 -0.55 8.46 8.43 1j35B1 SER 262 HA -0.00 0.08 0.47 -0.75 4.49 4.29 1j35B1 SER 262 HB2 -0.04 0.22 -0.36 -0.04 3.95 3.73 1j35B1 SER 262 HB3 -0.35 0.01 -0.14 -0.04 3.93 3.41 1j35B1 ILE 263 H -0.53 0.23 0.20 -0.55 8.25 7.59 1j35B1 ILE 263 HA -0.13 0.30 1.10 -0.75 4.18 4.70 1j35B1 ILE 263 HB -0.60 0.01 -0.07 -0.04 1.89 1.19 1j35B1 ILE 263 HG12 -0.40 -0.04 0.13 -0.04 1.49 1.14 1j35B1 ILE 263 HG13 -0.65 -0.06 0.11 -0.04 1.21 0.57 1j35B1 ILE 263 HG23 -0.10 -0.02 -0.18 -0.04 0.93 0.58 1j35B1 ILE 263 HD13 -0.58 0.02 -0.01 -0.04 0.88 0.28 1j35B1 PHE 264 H -0.24 0.65 0.27 -0.55 8.34 8.47 1j35B1 PHE 264 HA -0.30 0.32 0.80 -0.75 4.62 4.68 1j35B1 PHE 264 HB2 -1.19 -0.02 -0.02 -0.04 3.15 1.87 1j35B1 PHE 264 HB3 -0.15 -0.05 -0.16 -0.04 3.06 2.66 1j35B1 PHE 264 HD2 -0.37 0.02 -0.20 -0.04 7.28 6.69 1j35B1 PHE 264 HE2 -0.08 0.04 -0.18 -0.04 7.38 7.11 1j35B1 PHE 264 HZ 0.07 0.13 -0.18 -0.04 7.32 7.29 1j35B1 TRP 265 H 0.09 0.64 0.29 -0.55 7.97 8.45 1j35B1 TRP 265 HA 0.20 0.05 0.53 -0.75 4.62 4.64 1j35B1 TRP 265 HB2 0.04 -0.04 0.14 -0.04 3.23 3.32 1j35B1 TRP 265 HB3 0.01 0.05 0.02 -0.04 3.23 3.27 1j35B1 TRP 265 HD1 -0.05 0.05 -0.12 -0.04 7.22 7.06 1j35B1 TRP 265 HE1 -0.05 0.44 0.09 -0.04 10.20 10.63 1j35B1 TRP 265 HE3 0.33 0.28 -0.10 -0.04 7.59 8.06 1j35B1 TRP 265 HZ2 -0.00 0.37 -0.14 -0.04 7.44 7.63 1j35B1 TRP 265 HZ3 0.16 -0.00 -0.33 -0.04 7.13 6.92 1j35B1 TRP 265 HH2 0.02 0.04 -0.38 -0.04 7.19 6.83 1j35B1 MET 266 H 0.52 0.71 0.50 -0.55 8.47 9.66 1j35B1 MET 266 HA 0.09 0.21 0.84 -0.75 4.52 4.91 1j35B1 MET 266 HB2 -0.08 -0.02 -0.13 -0.04 2.15 1.88 1j35B1 MET 266 HB3 -0.34 -0.05 0.03 -0.04 2.03 1.64 1j35B1 MET 266 HG2 -0.64 0.00 -0.11 -0.04 2.63 1.84 1j35B1 MET 266 HG3 0.17 0.09 -0.29 -0.04 2.56 2.49 1j35B1 MET 266 HE3 -1.33 -0.02 -0.09 -0.04 2.10 0.62 1j35B1 GLY 267 H 0.02 0.75 0.06 -0.55 8.43 8.72 1j35B1 GLY 267 HA2 0.35 0.00 0.25 -0.51 4.01 4.11 1j35B1 GLY 267 HA3 0.14 0.10 0.26 -0.51 4.01 4.00 1j35B1 LEU 268 H 0.16 0.43 -0.32 -0.55 8.37 8.10 1j35B1 LEU 268 HA -0.12 0.22 1.02 -0.75 4.35 4.72 1j35B1 LEU 268 HB2 -0.19 -0.08 0.09 -0.04 1.64 1.43 1j35B1 LEU 268 HB3 -0.18 0.02 -0.01 -0.04 1.64 1.42 1j35B1 LEU 268 HG -0.19 -0.06 -0.27 -0.04 1.64 1.08 1j35B1 LEU 268 HD13 -0.19 0.00 -0.05 -0.04 0.93 0.65 1j35B1 LEU 268 HD23 -0.02 0.06 -0.02 -0.04 0.89 0.86 1j35B1 SER 269 H -0.47 0.30 0.17 -0.55 8.46 7.91 1j35B1 SER 269 HA -0.95 0.11 1.04 -0.75 4.49 3.93 1j35B1 SER 269 HB2 -1.27 -0.09 0.06 -0.04 3.95 2.61 1j35B1 SER 269 HB3 -3.54 0.06 -0.16 -0.04 3.93 0.24 1j35B1 ASN 270 H -0.51 0.12 0.14 -0.55 8.53 7.72 1j35B1 ASN 270 HA -0.27 -0.12 0.45 -0.75 4.76 4.07 1j35B1 ASN 270 HB2 -0.24 0.20 -0.10 -0.04 2.88 2.69 1j35B1 ASN 270 HB3 -0.17 -0.04 0.25 -0.04 2.79 2.79 1j35B1 ASN 270 HD21 -0.16 0.02 -0.00 -0.04 7.03 6.85 1j35B1 ASN 270 HD22 -0.15 0.03 0.06 -0.04 7.74 7.64 1j35B1 VAL 271 H -0.47 0.38 -0.04 -0.55 8.24 7.56 1j35B1 VAL 271 HA -0.26 0.21 0.28 -0.75 4.13 3.61 1j35B1 VAL 271 HB -0.50 0.04 -0.03 -0.04 2.12 1.59 1j35B1 VAL 271 HG13 -0.33 0.01 -0.17 -0.04 0.97 0.45 1j35B1 VAL 271 HG23 -1.67 0.03 -0.14 -0.04 0.95 -0.87 1j35B1 TRP 272 H -0.16 -0.05 -0.16 -0.55 7.97 7.05 1j35B1 TRP 272 HA 0.03 0.32 1.03 -0.75 4.62 5.24 1j35B1 TRP 272 HB2 0.27 -0.02 -0.02 -0.04 3.23 3.41 1j35B1 TRP 272 HB3 0.21 0.04 0.10 -0.04 3.23 3.54 1j35B1 TRP 272 HD1 -0.03 0.14 -0.14 -0.04 7.22 7.15 1j35B1 TRP 272 HE1 0.01 0.04 -0.12 -0.04 10.20 10.10 1j35B1 TRP 272 HE3 0.11 -0.00 -0.08 -0.04 7.59 7.57 1j35B1 TRP 272 HZ2 0.02 0.04 -0.11 -0.04 7.44 7.36 1j35B1 TRP 272 HZ3 -0.99 -0.02 -0.11 -0.04 7.13 5.97 1j35B1 TRP 272 HH2 -0.13 0.01 -0.09 -0.04 7.19 6.93 1j35B1 ASN 273 H 0.02 0.11 -0.12 -0.55 8.53 8.00 1j35B1 ASN 273 HA 0.01 0.09 0.40 -0.75 4.76 4.50 1j35B1 ASN 273 HB2 -0.06 0.09 0.13 -0.04 2.88 3.00 1j35B1 ASN 273 HB3 -0.09 0.06 0.09 -0.04 2.79 2.81 1j35B1 ASN 273 HD21 -0.22 0.18 0.21 -0.04 7.03 7.16 1j35B1 ASN 273 HD22 -0.22 0.03 0.13 -0.04 7.74 7.63 1j35B1 GLN 274 H 0.07 0.11 -0.28 -0.55 8.47 7.82 1j35B1 GLN 274 HA 0.10 0.28 0.97 -0.75 4.36 4.96 1j35B1 GLN 274 HB2 0.02 0.00 0.05 -0.04 2.15 2.19 1j35B1 GLN 274 HB3 0.04 0.01 0.17 -0.04 2.02 2.20 1j35B1 GLN 274 HG2 0.02 0.07 -0.06 -0.04 2.40 2.39 1j35B1 GLN 274 HG3 -0.00 -0.11 -0.19 -0.04 2.39 2.04 1j35B1 GLN 274 HE21 -0.02 -0.00 -0.00 -0.04 6.97 6.91 1j35B1 GLN 274 HE22 -0.02 -0.02 -0.02 -0.04 7.69 7.58 1j35B1 CYS 275 H 0.22 0.35 -0.37 -0.55 8.50 8.15 1j35B1 CYS 275 HA -0.01 0.08 0.52 -0.75 4.58 4.42 1j35B1 CYS 275 HB2 -0.30 0.13 0.05 -0.04 2.97 2.81 1j35B1 CYS 275 HB3 -0.36 -0.05 0.01 -0.04 2.97 2.52 1j35B1 ASN 276 H -0.12 0.11 0.07 -0.55 8.53 8.05 1j35B1 ASN 276 HA 0.05 0.20 0.60 -0.75 4.76 4.85 1j35B1 ASN 276 HB2 -0.02 0.01 0.10 -0.04 2.88 2.93 1j35B1 ASN 276 HB3 -0.07 -0.04 0.20 -0.04 2.79 2.84 1j35B1 ASN 276 HD21 0.01 0.00 -0.03 -0.04 7.03 6.97 1j35B1 ASN 276 HD22 -0.01 -0.03 0.02 -0.04 7.74 7.68 1j35B1 TRP 277 H 0.28 0.43 -0.05 -0.55 7.97 8.09 1j35B1 TRP 277 HA -0.04 0.01 0.46 -0.75 4.62 4.30 1j35B1 TRP 277 HB2 0.06 0.05 0.11 -0.04 3.23 3.41 1j35B1 TRP 277 HB3 -0.05 -0.04 -0.05 -0.04 3.23 3.05 1j35B1 TRP 277 HD1 0.08 0.20 0.00 -0.04 7.22 7.46 1j35B1 TRP 277 HE1 0.06 0.34 0.03 -0.04 10.20 10.58 1j35B1 TRP 277 HE3 -0.08 0.02 -0.02 -0.04 7.59 7.47 1j35B1 TRP 277 HZ2 0.11 -0.08 -0.05 -0.04 7.44 7.38 1j35B1 TRP 277 HZ3 -0.05 -0.01 -0.02 -0.04 7.13 7.01 1j35B1 TRP 277 HH2 -0.03 -0.04 -0.04 -0.04 7.19 7.05 1j35B1 GLN 278 H 0.04 0.22 0.20 -0.55 8.47 8.38 1j35B1 GLN 278 HA 0.00 0.13 0.74 -0.75 4.36 4.48 1j35B1 GLN 278 HB2 0.03 -0.02 -0.05 -0.04 2.15 2.07 1j35B1 GLN 278 HB3 0.08 0.05 -0.00 -0.04 2.02 2.10 1j35B1 GLN 278 HG2 0.05 0.00 -0.92 -0.04 2.40 1.49 1j35B1 GLN 278 HG3 0.04 -0.03 -0.15 -0.04 2.39 2.21 1j35B1 GLN 278 HE21 0.08 -0.05 -0.00 -0.04 6.97 6.95 1j35B1 GLN 278 HE22 0.06 -0.04 -0.10 -0.04 7.69 7.56 1j35B1 TRP 279 H 0.18 0.27 0.10 -0.55 7.97 7.97 1j35B1 TRP 279 HA 0.05 0.10 0.60 -0.75 4.62 4.62 1j35B1 TRP 279 HB2 0.03 0.10 0.11 -0.04 3.23 3.44 1j35B1 TRP 279 HB3 0.02 -0.15 0.05 -0.04 3.23 3.12 1j35B1 TRP 279 HD1 0.04 0.29 -0.37 -0.04 7.22 7.13 1j35B1 TRP 279 HE1 0.01 0.01 -0.05 -0.04 10.20 10.13 1j35B1 TRP 279 HE3 0.01 -0.08 0.06 -0.04 7.59 7.55 1j35B1 TRP 279 HZ2 -0.05 0.05 -0.05 -0.04 7.44 7.34 1j35B1 TRP 279 HZ3 -0.02 0.00 -0.01 -0.04 7.13 7.06 1j35B1 TRP 279 HH2 -0.08 -0.00 -0.04 -0.04 7.19 7.03 1j35B1 SER 280 H 0.30 0.17 0.19 -0.55 8.46 8.57 1j35B1 SER 280 HA 0.10 0.16 0.40 -0.75 4.49 4.40 1j35B1 SER 280 HB2 0.08 0.05 0.08 -0.04 3.95 4.11 1j35B1 SER 280 HB3 0.10 0.05 0.13 -0.04 3.93 4.16 1j35B1 ASN 281 H 0.19 0.00 -0.25 -0.55 8.53 7.93 1j35B1 ASN 281 HA 0.05 0.20 0.59 -0.75 4.76 4.85 1j35B1 ASN 281 HB2 0.00 0.06 0.12 -0.04 2.88 3.03 1j35B1 ASN 281 HB3 0.02 -0.02 0.05 -0.04 2.79 2.80 1j35B1 ASN 281 HD21 -0.13 -0.00 -0.04 -0.04 7.03 6.82 1j35B1 ASN 281 HD22 -0.06 0.05 -0.01 -0.04 7.74 7.68 1j35B1 ALA 282 H 0.16 0.37 -0.66 -0.55 8.40 7.73 1j35B1 ALA 282 HA 0.14 0.12 0.24 -0.75 4.34 4.08 1j35B1 ALA 282 HB3 0.06 0.06 -0.01 -0.04 1.41 1.48 1j35B1 ALA 283 H 0.15 -0.12 -0.37 -0.55 8.40 7.51 1j35B1 ALA 283 HA 0.05 0.09 0.47 -0.75 4.34 4.20 1j35B1 ALA 283 HB3 -0.13 -0.01 0.02 -0.04 1.41 1.25 1j35B1 MET 284 H 0.09 0.08 0.15 -0.55 8.47 8.25 1j35B1 MET 284 HA 0.17 0.11 0.44 -0.75 4.52 4.48 1j35B1 MET 284 HB2 0.09 0.03 0.11 -0.04 2.15 2.34 1j35B1 MET 284 HB3 0.10 -0.05 0.04 -0.04 2.03 2.07 1j35B1 MET 284 HG2 0.12 0.08 -0.22 -0.04 2.63 2.57 1j35B1 MET 284 HG3 0.10 0.02 0.04 -0.04 2.56 2.67 1j35B1 MET 284 HE3 0.07 0.03 -0.05 -0.04 2.10 2.11 1j35B1 LEU 285 H 0.17 0.18 0.14 -0.55 8.37 8.32 1j35B1 LEU 285 HA 0.40 0.07 0.66 -0.75 4.35 4.72 1j35B1 LEU 285 HB2 0.03 -0.02 0.05 -0.04 1.64 1.66 1j35B1 LEU 285 HB3 0.11 0.02 0.21 -0.04 1.64 1.94 1j35B1 LEU 285 HG 0.09 0.04 -0.26 -0.04 1.64 1.47 1j35B1 LEU 285 HD13 -0.11 -0.03 -0.07 -0.04 0.93 0.68 1j35B1 LEU 285 HD23 0.08 -0.01 -0.04 -0.04 0.89 0.88 1j35B1 ARG 286 H 0.25 0.13 0.12 -0.55 8.46 8.41 1j35B1 ARG 286 HA 0.11 0.19 0.81 -0.75 4.34 4.69 1j35B1 ARG 286 HB2 0.13 -0.10 0.12 -0.04 1.90 2.01 1j35B1 ARG 286 HB3 0.10 0.00 -0.00 -0.04 1.80 1.87 1j35B1 ARG 286 HG2 0.09 0.08 -0.14 -0.04 1.67 1.65 1j35B1 ARG 286 HG3 0.12 -0.07 -0.59 -0.04 1.67 1.08 1j35B1 ARG 286 HD2 0.07 -0.01 -0.08 -0.04 3.22 3.16 1j35B1 ARG 286 HD3 0.07 -0.01 -0.05 -0.04 3.22 3.19 1j35B1 TYR 287 H 0.25 0.06 0.15 -0.55 8.29 8.20 1j35B1 TYR 287 HA 0.04 0.06 0.45 -0.75 4.56 4.37 1j35B1 TYR 287 HB2 0.02 0.01 0.13 -0.04 3.06 3.18 1j35B1 TYR 287 HB3 0.06 -0.03 0.11 -0.04 2.98 3.07 1j35B1 TYR 287 HD2 0.03 -0.02 -0.06 -0.04 7.15 7.05 1j35B1 TYR 287 HE2 -0.00 -0.01 -0.06 -0.04 6.85 6.74 1j35B1 LYS 288 H -0.63 0.23 0.23 -0.55 8.42 7.70 1j35B1 LYS 288 HA -0.44 0.12 0.74 -0.75 4.32 3.99 1j35B1 LYS 288 HB2 -0.07 0.01 0.04 -0.04 1.87 1.81 1j35B1 LYS 288 HB3 -0.15 -0.12 0.03 -0.04 1.79 1.50 1j35B1 LYS 288 HG2 -0.05 -0.04 -0.12 -0.04 1.46 1.22 1j35B1 LYS 288 HG3 -0.02 0.23 -0.81 -0.04 1.46 0.81 1j35B1 LYS 288 HD2 0.09 -0.02 -0.04 -0.04 1.69 1.68 1j35B1 LYS 288 HD3 0.31 -0.06 -0.04 -0.04 1.68 1.85 1j35B1 LYS 288 HE2 0.14 -0.04 -0.11 -0.04 2.99 2.93 1j35B1 LYS 288 HE3 0.09 0.16 -0.11 -0.04 2.99 3.09 1j35B1 ALA 289 H -0.63 0.14 0.02 -0.55 8.40 7.38 1j35B1 ALA 289 HA -0.18 0.20 0.65 -0.75 4.34 4.25 1j35B1 ALA 289 HB3 -0.14 0.02 -0.01 -0.04 1.41 1.24 1j35B1 TRP 290 H -0.09 0.11 -0.03 -0.55 7.97 7.41 1j35B1 TRP 290 HA -0.10 0.01 0.42 -0.75 4.62 4.19 1j35B1 TRP 290 HB2 -0.09 -0.01 -0.06 -0.04 3.23 3.03 1j35B1 TRP 290 HB3 -0.07 0.19 -0.01 -0.04 3.23 3.29 1j35B1 TRP 290 HD1 -0.15 0.00 -0.01 -0.04 7.22 7.03 1j35B1 TRP 290 HE1 -0.24 0.07 0.00 -0.04 10.20 9.99 1j35B1 TRP 290 HE3 -0.21 -0.05 0.04 -0.04 7.59 7.33 1j35B1 TRP 290 HZ2 -0.80 0.06 -0.01 -0.04 7.44 6.65 1j35B1 TRP 290 HZ3 -0.98 -0.03 -0.03 -0.04 7.13 6.06 1j35B1 TRP 290 HH2 -3.51 0.01 -0.03 -0.04 7.19 3.62 1j35B1 ALA 291 H 0.19 0.09 0.21 -0.55 8.40 8.35 1j35B1 ALA 291 HA 0.09 0.15 0.53 -0.75 4.34 4.35 1j35B1 ALA 291 HB3 0.12 -0.00 0.10 -0.04 1.41 1.59 1j35B1 GLU 292 H 0.25 0.12 -0.02 -0.55 8.60 8.41 1j35B1 GLU 292 HA 0.03 0.20 0.80 -0.75 4.29 4.56 1j35B1 GLU 292 HB2 0.22 -0.01 -0.02 -0.04 2.09 2.24 1j35B1 GLU 292 HB3 -0.17 -0.09 0.01 -0.04 1.99 1.69 1j35B1 GLU 292 HG2 0.12 0.01 -0.30 -0.04 2.34 2.13 1j35B1 GLU 292 HG3 0.00 -0.03 -0.03 -0.04 2.34 2.24 1j35B1 GLU 293 H -0.07 0.14 0.13 -0.55 8.60 8.25 1j35B1 GLU 293 HA -0.23 0.17 0.55 -0.75 4.29 4.03 1j35B1 GLU 293 HB2 -0.15 0.04 0.06 -0.04 2.09 2.01 1j35B1 GLU 293 HB3 -0.08 0.07 0.06 -0.04 1.99 2.00 1j35B1 GLU 293 HG2 -0.10 -0.11 0.18 -0.04 2.34 2.27 1j35B1 GLU 293 HG3 -0.13 -0.02 -0.02 -0.04 2.34 2.12 1j35B1 SER 294 H -0.18 0.11 0.06 -0.55 8.46 7.90 1j35B1 SER 294 HA -0.09 0.15 0.63 -0.75 4.49 4.44 1j35B1 SER 294 HB2 -0.22 -0.08 0.14 -0.04 3.95 3.75 1j35B1 SER 294 HB3 -0.19 0.23 -0.21 -0.04 3.93 3.72 1j35B1 TYR 295 H -0.06 0.13 0.22 -0.55 8.29 8.03 1j35B1 TYR 295 HA -0.06 0.15 1.05 -0.75 4.56 4.95 1j35B1 TYR 295 HB2 -0.56 -0.06 0.03 -0.04 3.06 2.43 1j35B1 TYR 295 HB3 -0.36 0.11 -0.08 -0.04 2.98 2.61 1j35B1 TYR 295 HD2 0.23 -0.03 -0.35 -0.04 7.15 6.96 1j35B1 TYR 295 HE2 0.22 0.04 -0.13 -0.04 6.85 6.94 1j35B1 CYS 296 H 0.08 0.87 0.41 -0.55 8.50 9.32 1j35B1 CYS 296 HA -0.40 0.10 1.00 -0.75 4.58 4.53 1j35B1 CYS 296 HB2 -0.24 0.05 0.10 -0.04 2.97 2.85 1j35B1 CYS 296 HB3 -0.52 0.23 0.21 -0.04 2.97 2.84 1j35B1 VAL 297 H -0.08 0.52 0.34 -0.55 8.24 8.47 1j35B1 VAL 297 HA 0.15 0.34 1.08 -0.75 4.13 4.95 1j35B1 VAL 297 HB -0.14 -0.07 0.13 -0.04 2.12 1.99 1j35B1 VAL 297 HG13 -0.26 0.03 0.01 -0.04 0.97 0.71 1j35B1 VAL 297 HG23 -0.10 -0.01 -0.09 -0.04 0.95 0.71 1j35B1 TYR 298 H -0.03 0.63 0.39 -0.55 8.29 8.74 1j35B1 TYR 298 HA 0.15 0.15 0.73 -0.75 4.56 4.83 1j35B1 TYR 298 HB2 -0.25 0.03 -0.37 -0.04 3.06 2.43 1j35B1 TYR 298 HB3 -0.12 -0.02 -0.40 -0.04 2.98 2.40 1j35B1 TYR 298 HD2 -0.07 0.05 -0.37 -0.04 7.15 6.72 1j35B1 TYR 298 HE2 0.01 0.09 -0.39 -0.04 6.85 6.52 1j35B1 PHE 299 H 0.04 0.54 0.27 -0.55 8.34 8.63 1j35B1 PHE 299 HA -0.09 0.20 0.89 -0.75 4.62 4.86 1j35B1 PHE 299 HB2 0.18 0.18 0.09 -0.04 3.15 3.56 1j35B1 PHE 299 HB3 0.15 -0.05 -0.13 -0.04 3.06 2.99 1j35B1 PHE 299 HD2 0.11 0.10 -0.40 -0.04 7.28 7.05 1j35B1 PHE 299 HE2 0.04 0.03 -0.18 -0.04 7.38 7.23 1j35B1 PHE 299 HZ -0.24 0.03 -0.22 -0.04 7.32 6.85 1j35B1 LYS 300 H 0.24 0.23 0.20 -0.55 8.42 8.54 1j35B1 LYS 300 HA 0.12 0.25 0.91 -0.75 4.32 4.84 1j35B1 LYS 300 HB2 0.16 0.00 0.09 -0.04 1.87 2.08 1j35B1 LYS 300 HB3 0.12 -0.07 0.16 -0.04 1.79 1.95 1j35B1 LYS 300 HG2 -0.23 -0.01 0.04 -0.04 1.46 1.22 1j35B1 LYS 300 HG3 -0.03 0.04 0.00 -0.04 1.46 1.43 1j35B1 LYS 300 HD2 0.06 -0.05 -0.03 -0.04 1.69 1.63 1j35B1 LYS 300 HD3 0.15 0.04 -0.03 -0.04 1.68 1.79 1j35B1 LYS 300 HE2 0.14 0.01 -0.03 -0.04 2.99 3.07 1j35B1 LYS 300 HE3 0.11 -0.02 -0.01 -0.04 2.99 3.02 1j35B1 SER 301 H 0.16 0.61 0.31 -0.55 8.46 8.99 1j35B1 SER 301 HA 0.48 0.07 0.23 -0.75 4.49 4.52 1j35B1 SER 301 HB2 0.47 0.04 0.05 -0.04 3.95 4.47 1j35B1 SER 301 HB3 0.47 0.01 0.01 -0.04 3.93 4.38 1j35B1 THR 302 H 0.09 0.02 -0.62 -0.55 8.28 7.21 1j35B1 THR 302 HA -0.18 0.22 0.77 -0.75 4.39 4.45 1j35B1 THR 302 HB -0.02 -0.00 0.06 -0.04 4.32 4.31 1j35B1 THR 302 HG23 0.11 -0.01 -0.06 -0.04 1.22 1.21 1j35B1 ASN 303 H 0.11 0.56 0.13 -0.55 8.53 8.78 1j35B1 ASN 303 HA -0.03 0.12 0.41 -0.75 4.76 4.51 1j35B1 ASN 303 HB2 0.01 -0.10 0.12 -0.04 2.88 2.86 1j35B1 ASN 303 HB3 -0.00 0.20 -0.03 -0.04 2.79 2.91 1j35B1 ASN 303 HD21 0.06 -0.00 -0.08 -0.04 7.03 6.97 1j35B1 ASN 303 HD22 0.03 0.09 -0.18 -0.04 7.74 7.63 1j35B1 ASN 304 H -0.02 0.14 0.06 -0.55 8.53 8.17 1j35B1 ASN 304 HA 0.02 0.24 0.62 -0.75 4.76 4.88 1j35B1 ASN 304 HB2 -0.07 -0.04 0.09 -0.04 2.88 2.83 1j35B1 ASN 304 HB3 -0.16 0.04 -0.09 -0.04 2.79 2.54 1j35B1 ASN 304 HD21 -0.06 -0.00 -0.01 -0.04 7.03 6.91 1j35B1 ASN 304 HD22 -0.12 0.03 -0.02 -0.04 7.74 7.59 1j35B1 LYS 305 H 0.12 0.06 -0.47 -0.55 8.42 7.57 1j35B1 LYS 305 HA 0.14 0.05 0.54 -0.75 4.32 4.30 1j35B1 LYS 305 HB2 0.11 -0.02 0.01 -0.04 1.87 1.93 1j35B1 LYS 305 HB3 0.10 0.10 -0.03 -0.04 1.79 1.92 1j35B1 LYS 305 HG2 0.05 -0.08 -0.04 -0.04 1.46 1.35 1j35B1 LYS 305 HG3 0.05 0.03 -0.02 -0.04 1.46 1.48 1j35B1 LYS 305 HD2 0.03 0.03 0.04 -0.04 1.69 1.74 1j35B1 LYS 305 HD3 0.01 -0.01 -0.07 -0.04 1.68 1.57 1j35B1 LYS 305 HE2 0.01 0.02 -0.01 -0.04 2.99 2.97 1j35B1 LYS 305 HE3 -0.01 0.01 -0.01 -0.04 2.99 2.93 1j35B1 TRP 306 H 0.31 0.08 0.18 -0.55 7.97 7.99 1j35B1 TRP 306 HA 0.06 0.19 0.71 -0.75 4.62 4.83 1j35B1 TRP 306 HB2 0.06 -0.05 0.14 -0.04 3.23 3.34 1j35B1 TRP 306 HB3 0.06 0.01 -0.01 -0.04 3.23 3.24 1j35B1 TRP 306 HD1 0.17 0.09 -0.29 -0.04 7.22 7.15 1j35B1 TRP 306 HE1 0.36 -0.02 -0.04 -0.04 10.20 10.45 1j35B1 TRP 306 HE3 0.06 -0.01 -0.04 -0.04 7.59 7.56 1j35B1 TRP 306 HZ2 0.19 0.11 0.02 -0.04 7.44 7.72 1j35B1 TRP 306 HZ3 0.05 -0.00 -0.03 -0.04 7.13 7.10 1j35B1 TRP 306 HH2 0.08 0.03 -0.01 -0.04 7.19 7.25 1j35B1 ARG 307 H -0.10 0.58 0.40 -0.55 8.46 8.78 1j35B1 ARG 307 HA 0.04 0.13 0.86 -0.75 4.34 4.63 1j35B1 ARG 307 HB2 -1.40 0.02 -0.10 -0.04 1.90 0.38 1j35B1 ARG 307 HB3 -0.26 0.00 0.02 -0.04 1.80 1.52 1j35B1 ARG 307 HG2 -0.00 0.02 -0.17 -0.04 1.67 1.48 1j35B1 ARG 307 HG3 -0.04 -0.01 -0.77 -0.04 1.67 0.81 1j35B1 ARG 307 HD2 -0.22 -0.07 -0.12 -0.04 3.22 2.77 1j35B1 ARG 307 HD3 0.04 0.01 -0.09 -0.04 3.22 3.13 1j35B1 SER 308 H 0.19 0.17 0.16 -0.55 8.46 8.43 1j35B1 SER 308 HA 0.25 0.36 1.07 -0.75 4.49 5.41 1j35B1 SER 308 HB2 0.24 -0.07 -0.05 -0.04 3.95 4.03 1j35B1 SER 308 HB3 0.27 0.01 -0.10 -0.04 3.93 4.06 1j35B1 ARG 309 H 0.45 0.60 0.33 -0.55 8.46 9.28 1j35B1 ARG 309 HA 0.36 0.09 0.69 -0.75 4.34 4.73 1j35B1 ARG 309 HB2 0.05 0.06 -0.29 -0.04 1.90 1.67 1j35B1 ARG 309 HB3 0.20 0.02 -0.13 -0.04 1.80 1.85 1j35B1 ARG 309 HG2 0.12 0.10 -0.14 -0.04 1.67 1.71 1j35B1 ARG 309 HG3 -0.04 -0.05 0.04 -0.04 1.67 1.59 1j35B1 ARG 309 HD2 -0.88 -0.04 -0.13 -0.04 3.22 2.13 1j35B1 ARG 309 HD3 -1.08 0.00 -0.23 -0.04 3.22 1.88 1j35B1 ALA 310 H 0.06 0.18 0.15 -0.55 8.40 8.24 1j35B1 ALA 310 HA -0.72 0.13 0.65 -0.75 4.34 3.65 1j35B1 ALA 310 HB3 -0.20 0.01 0.17 -0.04 1.41 1.35 1j35B1 CYS 311 H -0.23 0.46 0.37 -0.55 8.50 8.56 1j35B1 CYS 311 HA -0.15 0.14 0.41 -0.75 4.58 4.23 1j35B1 CYS 311 HB2 -0.19 0.01 0.05 -0.04 2.97 2.80 1j35B1 CYS 311 HB3 -0.22 -0.05 0.10 -0.04 2.97 2.76 1j35B1 ARG 312 H -0.06 0.02 -0.26 -0.55 8.46 7.60 1j35B1 ARG 312 HA -0.01 0.06 0.56 -0.75 4.34 4.19 1j35B1 ARG 312 HB2 -0.02 0.06 0.12 -0.04 1.90 2.02 1j35B1 ARG 312 HB3 -0.05 -0.07 0.10 -0.04 1.80 1.75 1j35B1 ARG 312 HG2 -0.05 -0.13 0.02 -0.04 1.67 1.47 1j35B1 ARG 312 HG3 -0.00 0.09 -0.29 -0.04 1.67 1.43 1j35B1 ARG 312 HD2 -0.01 0.05 -0.00 -0.04 3.22 3.21 1j35B1 ARG 312 HD3 -0.03 -0.04 0.05 -0.04 3.22 3.15 1j35B1 MET 313 H 0.12 0.34 -0.27 -0.55 8.47 8.11 1j35B1 MET 313 HA 0.06 0.09 0.55 -0.75 4.52 4.47 1j35B1 MET 313 HB2 0.13 0.14 0.07 -0.04 2.15 2.44 1j35B1 MET 313 HB3 0.02 0.04 0.12 -0.04 2.03 2.16 1j35B1 MET 313 HG2 0.02 0.04 0.01 -0.04 2.63 2.65 1j35B1 MET 313 HG3 0.02 -0.15 0.02 -0.04 2.56 2.41 1j35B1 MET 313 HE3 -0.01 0.02 0.03 -0.04 2.10 2.11 1j35B1 MET 314 H 0.01 0.07 0.12 -0.55 8.47 8.12 1j35B1 MET 314 HA 0.22 0.31 0.64 -0.75 4.52 4.94 1j35B1 MET 314 HB2 -0.04 -0.03 0.02 -0.04 2.15 2.06 1j35B1 MET 314 HB3 -0.02 0.01 -0.06 -0.04 2.03 1.92 1j35B1 MET 314 HG2 0.05 -0.01 -0.34 -0.04 2.63 2.29 1j35B1 MET 314 HG3 0.01 -0.04 -0.08 -0.04 2.56 2.42 1j35B1 MET 314 HE3 -0.03 -0.01 -0.03 -0.04 2.10 1.99 1j35B1 ALA 315 H 0.03 0.41 0.32 -0.55 8.40 8.62 1j35B1 ALA 315 HA -0.44 -0.00 0.45 -0.75 4.34 3.60 1j35B1 ALA 315 HB3 -1.37 0.04 -0.06 -0.04 1.41 -0.03 1j35B1 GLN 316 H -0.61 0.37 0.32 -0.55 8.47 8.01 1j35B1 GLN 316 HA -0.24 0.19 0.57 -0.75 4.36 4.12 1j35B1 GLN 316 HB2 -1.36 0.00 0.10 -0.04 2.15 0.85 1j35B1 GLN 316 HB3 -0.56 0.25 0.29 -0.04 2.02 1.96 1j35B1 GLN 316 HG2 -0.44 0.10 -0.05 -0.04 2.40 1.96 1j35B1 GLN 316 HG3 -0.54 -0.14 0.07 -0.04 2.39 1.74 1j35B1 GLN 316 HE21 -0.87 -0.00 -0.07 -0.04 6.97 5.98 1j35B1 GLN 316 HE22 -0.66 0.22 0.02 -0.04 7.69 7.24 1j35B1 PHE 317 H -0.23 0.44 0.31 -0.55 8.34 8.32 1j35B1 PHE 317 HA 0.27 -0.02 0.54 -0.75 4.62 4.66 1j35B1 PHE 317 HB2 0.19 0.00 0.08 -0.04 3.15 3.38 1j35B1 PHE 317 HB3 0.26 0.15 -0.13 -0.04 3.06 3.30 1j35B1 PHE 317 HD2 0.11 0.07 -0.36 -0.04 7.28 7.06 1j35B1 PHE 317 HE2 -0.27 0.13 -0.10 -0.04 7.38 7.09 1j35B1 PHE 317 HZ -1.07 -0.02 -0.09 -0.04 7.32 6.10 1j35B1 VAL 318 H 0.47 0.34 0.21 -0.55 8.24 8.72 1j35B1 VAL 318 HA 0.28 0.28 1.05 -0.75 4.13 5.00 1j35B1 VAL 318 HB 0.36 -0.06 0.08 -0.04 2.12 2.46 1j35B1 VAL 318 HG13 0.28 0.03 -0.21 -0.04 0.97 1.04 1j35B1 VAL 318 HG23 0.17 -0.01 -0.23 -0.04 0.95 0.83 1j35B1 CYS 319 H 0.34 0.64 0.33 -0.55 8.50 9.27 1j35B1 CYS 319 HA 0.35 0.25 0.97 -0.75 4.58 5.39 1j35B1 CYS 319 HB2 0.40 0.00 0.06 -0.04 2.97 3.39 1j35B1 CYS 319 HB3 0.53 0.04 0.09 -0.04 2.97 3.59 1j35B1 GLU 320 H 0.37 0.51 0.34 -0.55 8.60 9.28 1j35B1 GLU 320 HA 0.24 0.41 0.87 -0.75 4.29 5.06 1j35B1 GLU 320 HB2 0.23 -0.01 -0.14 -0.04 2.09 2.13 1j35B1 GLU 320 HB3 0.22 -0.04 -0.15 -0.04 1.99 1.99 1j35B1 GLU 320 HG2 -0.12 0.05 -0.26 -0.04 2.34 1.97 1j35B1 GLU 320 HG3 -0.70 0.04 0.00 -0.04 2.34 1.64 1j35B1 PHE 321 H -0.42 0.43 0.33 -0.55 8.34 8.13 1j35B1 PHE 321 HA -0.10 0.20 0.54 -0.75 4.62 4.50 1j35B1 PHE 321 HB2 -0.16 0.11 -0.11 -0.04 3.15 2.95 1j35B1 PHE 321 HB3 -0.11 0.01 -0.40 -0.04 3.06 2.52 1j35B1 PHE 321 HD2 -0.46 0.08 -0.44 -0.04 7.28 6.43 1j35B1 PHE 321 HE2 -1.54 -0.02 -0.18 -0.04 7.38 5.59 1j35B1 PHE 321 HZ -1.02 -0.02 -0.08 -0.04 7.32 6.17 1j35B1 GLN 322 H -0.06 0.21 0.15 -0.55 8.47 8.23 1j35B1 GLN 322 HA -0.65 0.06 0.79 -0.75 4.36 3.81 1j35B1 GLN 322 HB2 -0.31 -0.06 0.11 -0.04 2.15 1.84 1j35B1 GLN 322 HB3 -0.06 -0.02 0.19 -0.04 2.02 2.08 1j35B1 GLN 322 HG2 0.01 0.19 -0.15 -0.04 2.40 2.41 1j35B1 GLN 322 HG3 0.05 0.06 0.05 -0.04 2.39 2.51 1j35B1 GLN 322 HE21 0.06 -0.06 -0.00 -0.04 6.97 6.93 1j35B1 GLN 322 HE22 0.04 0.06 -0.02 -0.04 7.69 7.72 1j35B1 ALA 323 H -0.17 0.39 0.28 -0.55 8.40 8.35 1j35B1 ALA 323 HA 0.08 0.10 0.18 -0.75 4.34 3.94 1j35B1 ALA 323 HB3 -0.08 0.02 -0.02 -0.04 1.41 1.29