============================================================================= 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. TRP 1 1.040 -5.225 53.478 30.724 -99.200 -91.000 TRP6 1 1.020 -6.692 52.105 31.956 -99.200 -91.000 HIS 18 0.900 12.047 51.083 7.955 -99.200 -91.000 PHE 24 1.000 6.523 49.777 -3.092 -99.200 -91.000 TYR 28 0.840 12.930 40.904 -2.771 -99.200 -91.000 PHE 30 1.000 8.760 36.600 -6.388 -99.200 -91.000 PHE 38 1.000 7.778 35.699 -12.087 -99.200 -91.000 TYR 40 0.840 5.558 41.181 -9.548 -99.200 -91.000 PHE 42 1.000 7.005 44.237 -1.369 -99.200 -91.000 HIS 67 0.900 4.804 43.371 19.575 -99.200 -91.000 TRP 80 1.040 -0.268 36.072 1.164 -99.200 -91.000 TRP6 80 1.020 -1.152 33.891 0.900 -99.200 -91.000 PHE 89 1.000 3.867 36.616 -8.362 -99.200 -91.000 TYR 109 0.840 13.503 36.332 6.606 -99.200 -91.000