============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 18 1.000 -24.825 39.388 64.471 -99.200 -91.000 TYR 23 0.840 -13.368 43.597 67.810 -99.200 -91.000 TYR 31 0.840 -10.462 56.994 68.851 -99.200 -91.000 HIS 32 0.900 -17.746 51.913 65.282 -99.200 -91.000 TYR 51 0.840 -23.317 32.954 56.461 -99.200 -91.000 PHE 52 1.000 -18.391 27.454 60.529 -99.200 -91.000 PHE 72 1.000 -8.995 49.690 57.599 -99.200 -91.000 HIS 73 0.900 -5.281 55.089 64.217 -99.200 -91.000 HIS 77 0.900 4.059 49.545 67.985 -99.200 -91.000 PHE 83 1.000 -7.024 35.103 62.074 -99.200 -91.000 PHE 86 1.000 -15.553 38.324 63.950 -99.200 -91.000 TYR 89 0.840 -28.532 28.966 63.930 -99.200 -91.000 TRP 93 1.040 -35.421 29.519 57.119 -99.200 -91.000 TRP6 93 1.020 -33.320 29.134 56.081 -99.200 -91.000