============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. TYR 6 0.840 -74.160 9.340 -54.521 -99.200 -91.000 HIS 14 0.900 -84.879 5.450 -45.850 -99.200 -91.000 PHE 23 1.000 -65.456 12.591 -42.440 -99.200 -91.000 TYR 24 0.840 -68.373 9.279 -49.439 -99.200 -91.000 TYR 25 0.840 -72.318 11.689 -42.222 -99.200 -91.000 TYR 28 0.840 -83.703 1.937 -41.841 -99.200 -91.000 PHE 45 1.000 -71.923 -6.171 -40.965 -99.200 -91.000 PHE 67 1.000 -76.544 -6.730 -32.301 -99.200 -91.000 TRP 71 1.040 -77.740 -10.583 -23.402 -99.200 -91.000 TRP6 71 1.020 -75.878 -10.930 -21.986 -99.200 -91.000 PHE 82 1.000 -66.595 -4.432 -41.415 -99.200 -91.000 TYR 86 0.840 -61.498 -6.122 -37.343 -99.200 -91.000 PHE 96 1.000 -84.693 -3.450 -34.949 -99.200 -91.000 HIS 98 0.900 -90.728 -6.735 -39.781 -99.200 -91.000 HIS 99 0.900 -93.275 -9.979 -38.339 -99.200 -91.000 PHE 107 1.000 -77.136 -6.316 -37.285 -99.200 -91.000 TYR 114 0.840 -61.511 10.545 -44.535 -99.200 -91.000 HIS 117 0.900 -63.868 13.300 -52.381 -99.200 -91.000