============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. TRP 15 1.040 8.223 -51.494 -76.035 -99.200 -91.000 TRP6 15 1.020 7.618 -49.232 -76.389 -99.200 -91.000 TYR 30 0.840 -4.005 -46.798 -89.011 -99.200 -91.000 TYR 33 0.840 -8.782 -42.742 -81.711 -99.200 -91.000 TYR 50 0.840 -1.000 -33.715 -83.160 -99.200 -91.000 PHE 52 1.000 -0.090 -44.345 -87.210 -99.200 -91.000 TYR 54 0.840 3.057 -34.138 -82.272 -99.200 -91.000 TYR 66 0.840 1.238 -32.870 -88.436 -99.200 -91.000 TYR 74 0.840 3.113 -29.318 -98.961 -99.200 -91.000 PHE 79 1.000 20.632 -31.882-102.853 -99.200 -91.000 PHE 111 1.000 17.642 -37.543 -87.803 -99.200 -91.000 TRP 113 1.040 18.075 -41.230 -84.592 -99.200 -91.000 TRP6 113 1.020 15.865 -41.491 -85.454 -99.200 -91.000 TYR 137 0.840 1.367 -38.455-112.381 -99.200 -91.000 HIS 139 0.900 12.203 -38.465-114.884 -99.200 -91.000 TYR 154 0.840 0.316 -34.934 -97.206 -99.200 -91.000 PHE 158 1.000 0.231 -37.018-104.284 -99.200 -91.000 PHE 163 1.000 -3.616 -36.880-111.094 -99.200 -91.000 TYR 182 0.840 -2.610 -48.964 -99.285 -99.200 -91.000 HIS 185 0.900 -1.491 -54.229 -92.136 -99.200 -91.000 TYR 205 0.840 15.881 -36.821 -93.500 -99.200 -91.000 HIS 220 0.900 5.919 -54.463 -98.053 -99.200 -91.000 PHE 231 1.000 -9.280 -56.636-110.549 -99.200 -91.000 TRP 243 1.040 -8.640 -64.565-116.772 -99.200 -91.000 TRP6 243 1.020 -7.995 -64.553-114.497 -99.200 -91.000 PHE 244 1.000 -12.049 -68.686-109.897 -99.200 -91.000 PHE 258 1.000 -9.580 -63.167-103.486 -99.200 -91.000 HIS 260 0.900 -1.966 -59.328 -94.806 -99.200 -91.000 TYR 263 0.840 -5.715 -57.740 -92.082 -99.200 -91.000 TYR 266 0.840 -13.522 -58.463 -98.164 -99.200 -91.000 PHE 273 1.000 -8.031 -48.406-100.163 -99.200 -91.000 HIS 288 0.900 -20.213 -50.054-114.146 -99.200 -91.000 TYR 291 0.840 -17.080 -52.057-107.847 -99.200 -91.000 PHE 300 1.000 -17.158 -67.166-110.718 -99.200 -91.000 PHE 305 1.000 -8.423 -69.917-104.329 -99.200 -91.000 TYR 311 0.840 -12.241 -64.802 -96.480 -99.200 -91.000 TYR 316 0.840 -9.988 -58.439-105.945 -99.200 -91.000 PHE 317 1.000 -12.698 -54.708-104.174 -99.200 -91.000 TYR 322 0.840 -3.881 -45.691-104.857 -99.200 -91.000 PHE 327 1.000 -2.138 -40.427-108.700 -99.200 -91.000 TYR 334 0.840 -2.371 -48.261-109.617 -99.200 -91.000 PHE 338 1.000 2.127 -50.283 -99.187 -99.200 -91.000 TRP 346 1.040 7.786 -47.461 -93.971 -99.200 -91.000 TRP6 346 1.020 8.114 -46.743 -96.224 -99.200 -91.000 HIS 349 0.900 5.695 -49.106 -86.251 -99.200 -91.000 PHE 350 1.000 11.970 -45.942 -89.909 -99.200 -91.000 TYR 353 0.840 14.314 -50.547 -82.269 -99.200 -91.000 TYR 367 0.840 30.166 -72.513 -91.331 -99.200 -91.000 TYR 375 0.840 45.361 -69.118-100.143 -99.200 -91.000