============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. PHE 6 1.000 10.504 29.538 15.877 -99.200 -91.000 PHE 19 1.000 16.924 37.777 19.538 -99.200 -91.000 TYR 29 0.840 13.755 23.676 23.593 -99.200 -91.000 PHE 31 1.000 20.075 30.251 28.612 -99.200 -91.000 PHE 36 1.000 27.689 30.308 21.781 -99.200 -91.000 PHE 55 1.000 24.784 30.286 17.000 -99.200 -91.000 PHE 57 1.000 14.610 26.255 18.595 -99.200 -91.000 PHE 72 1.000 21.460 34.441 15.581 -99.200 -91.000 PHE 75 1.000 18.695 41.858 16.662 -99.200 -91.000 TYR 76 0.840 20.763 35.853 7.868 -99.200 -91.000 HIS 83 0.900 23.657 47.045 6.298 -99.200 -91.000 HIS 89 0.900 23.918 42.482 15.580 -99.200 -91.000 PHE 95 1.000 25.346 28.879 12.333 -99.200 -91.000 TRP 99 1.040 24.133 24.007 12.409 -99.200 -91.000 TRP6 99 1.020 23.693 24.676 14.606 -99.200 -91.000 PHE 104 1.000 25.929 25.674 22.608 -99.200 -91.000