============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 13 1.000 8.976 5.973 123.717 -99.200 -91.000 PHE 25 1.000 10.592 20.001 124.827 -99.200 -91.000 TRP 50 1.040 13.029 17.065 126.953 -99.200 -91.000 TRP6 50 1.020 11.948 17.438 129.022 -99.200 -91.000 PHE 52 1.000 16.109 17.663 130.982 -99.200 -91.000 TYR 67 0.840 15.450 8.541 123.760 -99.200 -91.000 TRP 69 1.040 23.190 11.845 119.267 -99.200 -91.000 TRP6 69 1.020 22.422 9.913 118.143 -99.200 -91.000 HIS 78 0.900 9.015 6.329 112.443 -99.200 -91.000 PHE 84 1.000 12.386 20.015 115.979 -99.200 -91.000 HIS 87 0.900 17.314 25.274 119.785 -99.200 -91.000 TYR 94 0.840 16.972 22.087 104.961 -99.200 -91.000 TYR 98 0.840 14.679 16.780 103.195 -99.200 -91.000 HIS 99 0.900 13.003 14.710 107.238 -99.200 -91.000 PHE 108 1.000 22.111 34.654 123.024 -99.200 -91.000 HIS 117 0.900 9.274 33.648 107.331 -99.200 -91.000 PHE 128 1.000 13.172 27.637 129.348 -99.200 -91.000 TYR 148 0.840 -0.907 25.783 113.875 -99.200 -91.000 HIS 159 0.900 11.158 17.119 100.085 -99.200 -91.000