============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. PHE 4 1.000 14.873 -1.122 27.586 -99.200 -91.000 PHE 6 1.000 21.283 -2.497 24.070 -99.200 -91.000 PHE 32 1.000 16.234 7.428 10.616 -99.200 -91.000 TYR 62 0.840 5.383 22.509 20.609 -99.200 -91.000 HIS 63 0.900 5.305 19.274 16.413 -99.200 -91.000 HIS 80 0.900 1.605 2.222 20.729 -99.200 -91.000 PHE 82 1.000 -5.663 9.921 16.769 -99.200 -91.000 TRP 85 1.040 4.392 1.802 15.059 -99.200 -91.000 TRP6 85 1.020 5.587 1.157 13.117 -99.200 -91.000 PHE 96 1.000 15.476 20.778 19.612 -99.200 -91.000 PHE 114 1.000 4.251 25.098 25.532 -99.200 -91.000 HIS 117 0.900 3.369 25.161 16.525 -99.200 -91.000 HIS 123 0.900 -0.981 24.064 25.705 -99.200 -91.000 HIS 135 0.900 -0.325 6.480 31.786 -99.200 -91.000 PHE 145 1.000 10.078 19.338 30.240 -99.200 -91.000 TYR 151 0.840 27.969 25.275 19.186 -99.200 -91.000 TRP 168 1.040 13.491 20.489 35.593 -99.200 -91.000 TRP6 168 1.020 13.090 21.794 33.660 -99.200 -91.000 PHE 176 1.000 8.555 5.019 33.370 -99.200 -91.000 PHE 189 1.000 15.905 4.669 26.121 -99.200 -91.000 PHE 197 1.000 31.481 24.097 27.694 -99.200 -91.000 PHE 213 1.000 16.890 8.313 33.987 -99.200 -91.000 TYR 216 0.840 21.719 5.691 31.298 -99.200 -91.000 PHE 231 1.000 31.217 12.248 13.429 -99.200 -91.000 PHE 236 1.000 34.111 15.147 25.421 -99.200 -91.000 HIS 247 0.900 25.655 3.680 24.969 -99.200 -91.000 TYR 248 0.840 16.922 8.891 21.010 -99.200 -91.000 PHE 269 1.000 22.369 6.847 15.040 -99.200 -91.000 PHE 284 1.000 19.065 11.361 2.346 -99.200 -91.000 TRP 286 1.040 23.171 2.472 -1.338 -99.200 -91.000 TRP6 286 1.020 23.563 2.517 0.995 -99.200 -91.000 PHE 297 1.000 18.412 13.464 -11.344 -99.200 -91.000 HIS 309 0.900 15.328 -3.466 0.376 -99.200 -91.000 TRP 316 1.040 5.662 4.313 -9.953 -99.200 -91.000 TRP6 316 1.020 5.180 3.223 -7.907 -99.200 -91.000 TYR 320 0.840 4.771 8.703 -12.125 -99.200 -91.000 HIS 322 0.900 12.242 16.371 -13.397 -99.200 -91.000 HIS 323 0.900 4.297 14.886 -14.171 -99.200 -91.000 HIS 339 0.900 15.016 6.014 -2.524 -99.200 -91.000 PHE 343 1.000 20.336 5.599 1.142 -99.200 -91.000 TYR 344 0.840 18.165 8.485 6.636 -99.200 -91.000 PHE 360 1.000 30.303 0.533 11.637 -99.200 -91.000 PHE 363 1.000 28.257 0.135 5.511 -99.200 -91.000 PHE 367 1.000 27.755 6.087 3.847 -99.200 -91.000 TYR 371 0.840 25.870 9.853 1.214 -99.200 -91.000 PHE 372 1.000 30.453 12.164 2.348 -99.200 -91.000