============================================================================= 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 5 1.000 -29.057 38.495 177.908 -99.200 -91.000 PHE 8 1.000 -19.961 29.001 172.609 -99.200 -91.000 TYR 9 0.840 -20.724 35.491 166.007 -99.200 -91.000 HIS 24 0.900 -37.003 44.534 179.642 -99.200 -91.000 PHE 31 1.000 -33.887 42.018 189.531 -99.200 -91.000 TYR 39 0.840 -31.306 51.410 180.487 -99.200 -91.000 HIS 45 0.900 -17.997 35.529 173.437 -99.200 -91.000 TYR 59 0.840 -26.589 22.565 186.884 -99.200 -91.000 PHE 83 1.000 -33.052 37.823 186.230 -99.200 -91.000 TYR 84 0.840 -30.237 34.182 190.317 -99.200 -91.000 TRP 114 1.040 -27.102 52.274 188.293 -99.200 -91.000 TRP6 114 1.020 -27.072 50.703 186.498 -99.200 -91.000 PHE 116 1.000 -30.240 54.400 184.362 -99.200 -91.000 PHE 123 1.000 -31.487 54.753 189.904 -99.200 -91.000