============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. HIS 22 0.900 38.424 -21.720 4.461 -99.200 -91.000 PHE 24 1.000 41.421 -19.322 9.606 -99.200 -91.000 TRP 32 1.040 43.096 -14.893 13.508 -99.200 -91.000 TRP6 32 1.020 41.655 -15.449 15.343 -99.200 -91.000 PHE 35 1.000 39.369 -26.112 16.168 -99.200 -91.000 HIS 47 0.900 24.617 -29.875 11.327 -99.200 -91.000 PHE 55 1.000 34.761 -25.389 20.291 -99.200 -91.000 TYR 60 0.840 38.175 -22.305 19.155 -99.200 -91.000 TYR 69 0.840 25.907 -16.422 -1.260 -99.200 -91.000 TRP 70 1.040 24.843 -11.582 -1.595 -99.200 -91.000 TRP6 70 1.020 26.236 -11.528 0.192 -99.200 -91.000 HIS 79 0.900 37.072 -8.766 4.588 -99.200 -91.000 HIS 81 0.900 37.887 -13.682 4.180 -99.200 -91.000 PHE 86 1.000 33.355 -19.456 18.847 -99.200 -91.000 TYR 96 0.840 30.814 -21.751 22.271 -99.200 -91.000 TYR 105 0.840 28.740 -2.591 0.701 -99.200 -91.000 TYR 107 0.840 29.104 -9.468 10.061 -99.200 -91.000