============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 12 1.000 -5.065 9.062 40.122 -99.200 -91.000 TYR 17 0.840 -1.144 12.281 42.857 -99.200 -91.000 PHE 18 1.000 -4.829 15.394 41.260 -99.200 -91.000 TRP 23 1.040 1.720 13.292 46.177 -99.200 -91.000 TRP6 23 1.020 1.897 11.048 46.889 -99.200 -91.000 TYR 24 0.840 8.260 16.181 50.959 -99.200 -91.000 TYR 28 0.840 16.357 13.271 39.044 -99.200 -91.000 TYR 40 0.840 16.316 20.737 39.772 -99.200 -91.000 TYR 58 0.840 11.445 24.211 46.478 -99.200 -91.000 HIS 59 0.900 11.130 22.082 39.016 -99.200 -91.000 TYR 60 0.840 17.755 24.990 46.609 -99.200 -91.000 PHE 68 1.000 12.278 26.328 38.413 -99.200 -91.000 TYR 69 0.840 8.189 27.887 46.042 -99.200 -91.000 TYR 82 0.840 -5.179 14.540 36.081 -99.200 -91.000 PHE 86 1.000 5.024 25.867 32.814 -99.200 -91.000 TYR 104 0.840 1.538 21.615 26.600 -99.200 -91.000 TYR 105 0.840 2.961 20.342 35.009 -99.200 -91.000 PHE 107 1.000 1.622 14.980 37.910 -99.200 -91.000 TYR 111 0.840 1.584 2.002 43.170 -99.200 -91.000 HIS 120 0.900 5.460 10.761 30.769 -99.200 -91.000 HIS 124 0.900 4.966 19.615 25.491 -99.200 -91.000 TYR 134 0.840 8.864 7.289 32.677 -99.200 -91.000 PHE 160 1.000 14.222 2.864 42.332 -99.200 -91.000 PHE 163 1.000 12.987 5.779 37.859 -99.200 -91.000 TYR 173 0.840 12.021 19.345 49.467 -99.200 -91.000