============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TRP 9 1.040 13.596 51.435 64.174 -99.200 -91.000 TRP6 9 1.020 12.570 49.771 65.519 -99.200 -91.000 TYR 12 0.840 14.320 61.639 57.769 -99.200 -91.000 HIS 16 0.900 18.223 57.000 67.643 -99.200 -91.000 TYR 27 0.840 17.594 39.614 70.582 -99.200 -91.000 TYR 31 0.840 13.425 42.982 65.454 -99.200 -91.000 TYR 33 0.840 21.808 45.705 57.694 -99.200 -91.000 TYR 55 0.840 21.453 29.348 48.067 -99.200 -91.000 PHE 56 1.000 21.219 33.771 43.831 -99.200 -91.000 PHE 74 1.000 38.946 36.495 46.909 -99.200 -91.000 TYR 75 0.840 34.374 36.730 48.451 -99.200 -91.000 TRP 77 1.040 42.732 30.570 48.816 -99.200 -91.000 TRP6 77 1.020 43.223 32.830 49.330 -99.200 -91.000 PHE 87 1.000 38.492 37.784 61.990 -99.200 -91.000 TRP 88 1.040 34.673 32.080 67.765 -99.200 -91.000 TRP6 88 1.020 33.017 33.767 67.842 -99.200 -91.000 TYR 102 0.840 24.276 41.963 62.583 -99.200 -91.000 PHE 106 1.000 19.711 38.790 58.953 -99.200 -91.000 PHE 109 1.000 12.472 41.535 59.993 -99.200 -91.000 TRP 125 1.040 18.217 33.673 47.585 -99.200 -91.000 TRP6 125 1.020 17.905 35.911 48.306 -99.200 -91.000 PHE 150 1.000 46.074 42.287 42.718 -99.200 -91.000