============================================================================= 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. HIS 8 0.900 46.201 -7.662 16.782 -99.200 -91.000 TRP 15 1.040 45.135 -10.494 1.819 -99.200 -91.000 TRP6 15 1.020 45.987 -11.299 -0.228 -99.200 -91.000 TYR 19 0.840 43.473 -4.420 -1.011 -99.200 -91.000 PHE 21 1.000 32.763 -3.534 3.083 -99.200 -91.000 TRP 30 1.040 34.838 0.229 7.085 -99.200 -91.000 TRP6 30 1.020 36.993 0.513 8.009 -99.200 -91.000 TRP 45 1.040 38.740 8.965 -1.773 -99.200 -91.000 TRP6 45 1.020 36.650 8.255 -2.631 -99.200 -91.000 PHE 59 1.000 41.295 6.123 1.848 -99.200 -91.000 HIS 62 0.900 42.641 -0.180 -4.906 -99.200 -91.000 PHE 65 1.000 53.484 -6.337 -1.814 -99.200 -91.000 HIS 70 0.900 43.556 5.656 6.650 -99.200 -91.000 TYR 81 0.840 51.854 6.102 7.618 -99.200 -91.000 PHE 97 1.000 44.257 3.301 12.699 -99.200 -91.000 PHE 109 1.000 47.836 5.786 22.279 -99.200 -91.000