============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 10 1.000 -1.712 57.096 20.452 -99.200 -91.000 TYR 25 0.840 10.410 45.662 6.054 -99.200 -91.000 TRP 26 1.040 6.822 43.987 -3.400 -99.200 -91.000 TRP6 26 1.020 6.092 41.887 -2.588 -99.200 -91.000 HIS 28 0.900 14.726 48.815 1.451 -99.200 -91.000 PHE 29 1.000 10.863 40.500 -3.906 -99.200 -91.000 TRP 35 1.040 21.055 46.496 -6.199 -99.200 -91.000 TRP6 35 1.020 20.399 47.277 -4.060 -99.200 -91.000 HIS 54 0.900 2.939 42.951 12.178 -99.200 -91.000 PHE 64 1.000 -15.133 44.902 18.478 -99.200 -91.000 HIS 68 0.900 -15.838 55.566 9.287 -99.200 -91.000 HIS 95 0.900 16.110 51.897 16.142 -99.200 -91.000 TYR 101 0.840 3.902 49.792 16.050 -99.200 -91.000 TYR 107 0.840 -5.328 57.484 24.929 -99.200 -91.000 PHE 120 1.000 -1.323 50.227 19.317 -99.200 -91.000 HIS 130 0.900 9.958 42.382 11.640 -99.200 -91.000 PHE 133 1.000 17.157 39.170 9.806 -99.200 -91.000 TYR 141 0.840 27.137 45.381 4.420 -99.200 -91.000 PHE 149 1.000 25.041 41.153 4.413 -99.200 -91.000