============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. HIS 21 0.900 8.935 -20.100 -26.803 -99.200 -91.000 PHE 23 1.000 3.929 -22.766 -24.288 -99.200 -91.000 TRP 31 1.040 -0.373 -24.499 -19.818 -99.200 -91.000 TRP6 31 1.020 -2.126 -23.157 -20.677 -99.200 -91.000 PHE 34 1.000 -2.102 -21.940 -31.797 -99.200 -91.000 HIS 46 0.900 2.027 -8.016 -37.169 -99.200 -91.000 PHE 54 1.000 -6.493 -17.497 -31.720 -99.200 -91.000 TYR 59 0.840 -5.517 -20.452 -28.277 -99.200 -91.000 TYR 68 0.840 13.680 -6.069 -24.023 -99.200 -91.000 TRP 69 1.040 13.440 -6.353 -18.542 -99.200 -91.000 TRP6 69 1.020 13.474 -4.109 -19.222 -99.200 -91.000 PHE 77 1.000 9.913 -9.880 -8.703 -99.200 -91.000 HIS 78 0.900 7.686 -9.551 -13.012 -99.200 -91.000 HIS 80 0.900 7.512 -17.261 -17.334 -99.200 -91.000 PHE 85 1.000 -5.599 -15.108 -25.327 -99.200 -91.000 TYR 95 0.840 -9.183 -13.068 -29.607 -99.200 -91.000 TYR 104 0.840 13.059 -5.422 -9.453 -99.200 -91.000 TYR 106 0.840 4.089 -8.908 -16.335 -99.200 -91.000