============================================================================= 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. HIS 11 0.900 24.193 17.300 26.139 -99.200 -91.000 PHE 17 1.000 41.202 8.667 26.303 -99.200 -91.000 PHE 25 1.000 41.560 6.764 32.008 -99.200 -91.000 TRP 27 1.040 39.023 2.852 26.555 -99.200 -91.000 TRP6 27 1.020 37.626 1.301 25.444 -99.200 -91.000 HIS 49 0.900 30.949 11.465 34.790 -99.200 -91.000 TYR 52 0.840 28.130 11.587 39.680 -99.200 -91.000 TYR 56 0.840 29.360 22.797 36.923 -99.200 -91.000 HIS 63 0.900 28.685 18.762 44.026 -99.200 -91.000 PHE 81 1.000 43.502 4.297 36.427 -99.200 -91.000 HIS 84 0.900 43.664 15.287 42.310 -99.200 -91.000 TYR 97 0.840 33.362 21.857 23.561 -99.200 -91.000 PHE 98 1.000 31.733 20.680 31.807 -99.200 -91.000 PHE 101 1.000 43.917 19.291 32.627 -99.200 -91.000