============================================================================= 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 -5.229 -21.408 -5.540 -99.200 -91.000 PHE 23 1.000 0.175 -23.211 -8.117 -99.200 -91.000 TRP 31 1.040 4.860 -24.109 -12.539 -99.200 -91.000 TRP6 31 1.020 6.294 -22.538 -11.553 -99.200 -91.000 PHE 34 1.000 6.005 -21.642 -0.412 -99.200 -91.000 HIS 46 0.900 -0.589 -8.390 5.291 -99.200 -91.000 PHE 54 1.000 9.299 -16.447 -0.114 -99.200 -91.000 TYR 59 0.840 9.063 -19.524 -3.849 -99.200 -91.000 TYR 68 0.840 -12.146 -8.607 -8.014 -99.200 -91.000 TRP 69 1.040 -12.032 -8.703 -13.275 -99.200 -91.000 TRP6 69 1.020 -12.658 -6.533 -12.629 -99.200 -91.000 PHE 77 1.000 -8.246 -11.345 -23.529 -99.200 -91.000 HIS 78 0.900 -5.849 -10.496 -19.219 -99.200 -91.000 HIS 80 0.900 -4.135 -18.341 -14.403 -99.200 -91.000 PHE 85 1.000 8.281 -13.885 -6.928 -99.200 -91.000 TYR 95 0.840 11.137 -11.669 -2.761 -99.200 -91.000 TYR 104 0.840 -12.172 -7.425 -22.461 -99.200 -91.000 TYR 106 0.840 -2.475 -9.247 -15.721 -99.200 -91.000