============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 4 1.000 15.481 -1.126 27.372 -99.200 -91.000 PHE 6 1.000 21.762 -2.566 23.755 -99.200 -91.000 PHE 32 1.000 16.283 7.191 10.313 -99.200 -91.000 TYR 62 0.840 5.538 22.232 20.946 -99.200 -91.000 HIS 63 0.900 6.255 18.741 17.494 -99.200 -91.000 HIS 80 0.900 1.968 1.993 20.746 -99.200 -91.000 PHE 82 1.000 -5.483 9.748 16.914 -99.200 -91.000 TRP 85 1.040 4.557 1.675 15.066 -99.200 -91.000 TRP6 85 1.020 5.737 0.994 13.112 -99.200 -91.000 TYR 96 0.840 15.728 20.460 19.166 -99.200 -91.000 PHE 108 1.000 4.306 24.929 25.391 -99.200 -91.000 HIS 120 0.900 0.269 6.401 31.846 -99.200 -91.000 PHE 130 1.000 10.536 19.371 30.145 -99.200 -91.000 TYR 136 0.840 27.852 24.973 18.060 -99.200 -91.000 TRP 153 1.040 14.000 20.564 34.998 -99.200 -91.000 TRP6 153 1.020 13.707 21.800 32.993 -99.200 -91.000 PHE 161 1.000 9.353 5.027 33.191 -99.200 -91.000 PHE 174 1.000 16.432 4.652 25.719 -99.200 -91.000 PHE 182 1.000 31.955 24.193 26.295 -99.200 -91.000 PHE 198 1.000 17.608 8.446 33.576 -99.200 -91.000 TYR 201 0.840 22.305 5.820 30.649 -99.200 -91.000 PHE 216 1.000 31.282 11.990 12.414 -99.200 -91.000 PHE 221 1.000 34.487 15.359 24.330 -99.200 -91.000 HIS 232 0.900 26.094 3.740 24.293 -99.200 -91.000 TYR 233 0.840 17.212 8.821 20.454 -99.200 -91.000 PHE 254 1.000 22.579 6.629 14.453 -99.200 -91.000 PHE 269 1.000 19.072 11.341 1.961 -99.200 -91.000 TRP 271 1.040 22.987 2.047 -1.819 -99.200 -91.000 TRP6 271 1.020 23.431 2.133 0.511 -99.200 -91.000 PHE 282 1.000 18.150 13.289 -11.607 -99.200 -91.000 HIS 294 0.900 17.919 -4.931 -2.575 -99.200 -91.000 TRP 301 1.040 5.511 4.104 -10.130 -99.200 -91.000 TRP6 301 1.020 5.112 3.074 -8.038 -99.200 -91.000 TYR 305 0.840 4.604 8.504 -12.242 -99.200 -91.000 HIS 307 0.900 11.921 16.264 -13.508 -99.200 -91.000 HIS 308 0.900 4.097 14.537 -14.332 -99.200 -91.000 HIS 324 0.900 15.019 5.667 -2.722 -99.200 -91.000 PHE 328 1.000 20.384 5.148 0.691 -99.200 -91.000 TYR 329 0.840 18.261 8.168 6.283 -99.200 -91.000 PHE 345 1.000 30.464 0.276 11.158 -99.200 -91.000 PHE 348 1.000 28.313 -0.279 5.003 -99.200 -91.000 PHE 352 1.000 27.672 5.673 3.250 -99.200 -91.000 TYR 356 0.840 25.900 9.505 0.761 -99.200 -91.000 PHE 357 1.000 30.643 11.741 1.711 -99.200 -91.000