============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. HIS 8 0.900 24.236 -26.671 11.553 -99.200 -91.000 TYR 15 0.840 35.954 -13.420 9.361 -99.200 -91.000 TRP 16 1.040 35.526 -21.327 12.278 -99.200 -91.000 TRP6 16 1.020 36.565 -23.413 11.898 -99.200 -91.000 TRP 24 1.040 36.783 -27.951 12.346 -99.200 -91.000 TRP6 24 1.020 39.006 -28.321 13.051 -99.200 -91.000 TRP 27 1.040 31.026 -31.451 10.880 -99.200 -91.000 TRP6 27 1.020 33.044 -31.108 9.699 -99.200 -91.000 PHE 32 1.000 35.996 -35.894 8.342 -99.200 -91.000 PHE 42 1.000 43.480 -28.753 18.388 -99.200 -91.000 PHE 57 1.000 45.882 -28.440 13.823 -99.200 -91.000 TYR 59 0.840 53.149 -31.873 22.824 -99.200 -91.000 HIS 63 0.900 44.770 -41.934 20.190 -99.200 -91.000 TYR 69 0.840 48.308 -28.795 8.921 -99.200 -91.000 HIS 74 0.900 38.316 -30.930 1.898 -99.200 -91.000