============================================================================= 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. HIS 12 0.900 37.520 38.813 54.361 -99.200 -91.000 TRP 14 1.040 28.879 42.836 50.309 -99.200 -91.000 TRP6 14 1.020 26.712 42.397 49.477 -99.200 -91.000 HIS 18 0.900 28.761 40.343 44.638 -99.200 -91.000 TYR 23 0.840 33.518 30.301 39.218 -99.200 -91.000 TYR 24 0.840 22.379 29.423 40.410 -99.200 -91.000 PHE 39 1.000 24.495 30.180 50.680 -99.200 -91.000 HIS 41 0.900 14.567 34.452 51.164 -99.200 -91.000 PHE 43 1.000 25.400 35.980 54.439 -99.200 -91.000 PHE 46 1.000 21.081 30.869 60.898 -99.200 -91.000 TYR 47 0.840 26.677 39.844 57.458 -99.200 -91.000 HIS 64 0.900 10.566 37.019 48.195 -99.200 -91.000 PHE 73 1.000 22.270 34.299 43.059 -99.200 -91.000 TRP 76 1.040 17.930 39.663 43.197 -99.200 -91.000 TRP6 76 1.020 18.924 38.872 45.196 -99.200 -91.000 HIS 79 0.900 19.012 46.558 42.476 -99.200 -91.000 HIS 81 0.900 28.510 44.704 47.290 -99.200 -91.000 PHE 93 1.000 31.508 45.998 40.384 -99.200 -91.000 TRP 102 1.040 32.568 39.827 42.384 -99.200 -91.000 TRP6 102 1.020 33.988 39.665 44.286 -99.200 -91.000 TRP 106 1.040 39.643 43.948 36.996 -99.200 -91.000 TRP6 106 1.020 37.413 44.719 37.218 -99.200 -91.000