============================================================================= 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. PHE 18 1.000 -8.675 65.482 45.043 -99.200 -91.000 TYR 23 0.840 -7.593 53.345 41.443 -99.200 -91.000 TYR 31 0.840 -18.414 45.040 40.763 -99.200 -91.000 HIS 32 0.900 -15.535 52.883 46.501 -99.200 -91.000 TYR 51 0.840 -1.949 66.877 52.980 -99.200 -91.000 PHE 52 1.000 5.127 64.769 48.898 -99.200 -91.000 PHE 72 1.000 -10.874 46.820 51.821 -99.200 -91.000 HIS 73 0.900 -14.360 41.035 45.412 -99.200 -91.000 HIS 77 0.900 -5.425 35.489 40.238 -99.200 -91.000 PHE 83 1.000 2.124 46.581 47.600 -99.200 -91.000 PHE 86 1.000 -3.522 57.364 45.687 -99.200 -91.000 TYR 89 0.840 -0.705 73.188 45.510 -99.200 -91.000 TRP 93 1.040 -4.241 79.330 52.240 -99.200 -91.000 TRP6 93 1.020 -2.858 77.637 53.113 -99.200 -91.000