============================================================================= 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 8.805 -20.206 -26.888 -99.200 -91.000 PHE 23 1.000 3.829 -22.715 -24.313 -99.200 -91.000 TRP 31 1.040 -0.348 -24.279 -19.885 -99.200 -91.000 TRP6 31 1.020 -2.139 -23.047 -20.780 -99.200 -91.000 PHE 34 1.000 -2.173 -22.060 -31.893 -99.200 -91.000 HIS 46 0.900 2.184 -7.903 -37.332 -99.200 -91.000 PHE 54 1.000 -6.458 -17.553 -31.577 -99.200 -91.000 TYR 59 0.840 -5.644 -20.522 -28.327 -99.200 -91.000 TYR 68 0.840 13.754 -6.077 -24.008 -99.200 -91.000 TRP 69 1.040 13.410 -6.419 -18.485 -99.200 -91.000 TRP6 69 1.020 13.437 -4.181 -19.197 -99.200 -91.000 PHE 77 1.000 9.662 -9.962 -8.673 -99.200 -91.000 HIS 78 0.900 7.609 -9.592 -13.070 -99.200 -91.000 HIS 80 0.900 7.338 -17.303 -17.492 -99.200 -91.000 PHE 85 1.000 -5.719 -15.132 -25.347 -99.200 -91.000 TYR 95 0.840 -9.183 -13.022 -29.733 -99.200 -91.000 TYR 104 0.840 12.984 -5.500 -9.405 -99.200 -91.000 TYR 106 0.840 4.034 -8.829 -16.375 -99.200 -91.000