============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 13 1.000 27.411 48.963 -9.529 -99.200 -91.000 TYR 61 0.840 20.773 48.749 -13.230 -99.200 -91.000 PHE 70 1.000 26.551 52.340 -0.541 -99.200 -91.000 PHE 115 1.000 26.080 58.645 13.510 -99.200 -91.000 PHE 158 1.000 14.553 63.222 18.932 -99.200 -91.000 TYR 308 0.840 38.755 61.110 36.128 -99.200 -91.000 TYR 312 0.840 38.551 70.381 37.349 -99.200 -91.000 PHE 313 1.000 39.292 76.865 38.912 -99.200 -91.000 PHE 332 1.000 42.672 65.115 36.474 -99.200 -91.000 PHE 333 1.000 45.508 68.215 44.986 -99.200 -91.000 TYR 334 0.840 44.880 75.279 38.243 -99.200 -91.000 TRP 352 1.040 46.982 61.117 33.635 -99.200 -91.000 TRP6 352 1.020 45.987 62.641 32.128 -99.200 -91.000 HIS 357 0.900 45.400 79.419 41.700 -99.200 -91.000 TRP 382 1.040 53.929 79.736 51.048 -99.200 -91.000 TRP6 382 1.020 54.758 78.412 49.259 -99.200 -91.000 TYR 389 0.840 61.346 97.948 58.533 -99.200 -91.000 TYR 418 0.840 68.572 81.228 48.213 -99.200 -91.000 TRP 425 1.040 63.567 91.380 50.710 -99.200 -91.000 TRP6 425 1.020 62.871 89.333 51.693 -99.200 -91.000 TYR 430 0.840 56.055 98.954 57.673 -99.200 -91.000 TYR 436 0.840 60.491 83.142 48.650 -99.200 -91.000 PHE 438 1.000 57.948 78.064 44.286 -99.200 -91.000 PHE 451 1.000 57.180 73.283 43.877 -99.200 -91.000