============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 4 0.840 -38.882 -45.721 13.619 -99.200 -91.000 TYR 19 0.840 -37.717 -39.285 13.969 -99.200 -91.000 PHE 21 1.000 -47.464 -36.388 19.992 -99.200 -91.000 TRP 26 1.040 -42.798 -44.473 35.278 -99.200 -91.000 TRP6 26 1.020 -42.035 -42.867 36.840 -99.200 -91.000 TYR 32 0.840 -33.620 -36.391 47.991 -99.200 -91.000 TRP 39 1.040 -38.001 -38.029 50.691 -99.200 -91.000 TRP6 39 1.020 -38.769 -37.241 48.598 -99.200 -91.000 PHE 48 1.000 -46.698 -35.440 25.962 -99.200 -91.000 TYR 53 0.840 -34.201 -33.461 21.386 -99.200 -91.000 HIS 55 0.900 -39.584 -33.641 24.991 -99.200 -91.000 PHE 61 1.000 -42.060 -35.148 43.371 -99.200 -91.000 PHE 64 1.000 -42.585 -37.761 54.173 -99.200 -91.000 PHE 76 1.000 -38.441 -43.537 33.322 -99.200 -91.000 PHE 93 1.000 -27.065 -38.792 27.879 -99.200 -91.000 HIS 94 0.900 -26.268 -46.374 24.316 -99.200 -91.000 TYR 100 0.840 -29.463 -33.283 27.460 -99.200 -91.000 TYR 117 0.840 -42.473 -22.456 47.410 -99.200 -91.000 TRP 123 1.040 -26.868 -32.577 36.793 -99.200 -91.000 TRP6 123 1.020 -26.152 -30.966 38.369 -99.200 -91.000 TRP 127 1.040 -32.216 -45.233 31.474 -99.200 -91.000 TRP6 127 1.020 -31.473 -47.377 30.808 -99.200 -91.000 HIS 144 0.900 -35.902 -29.683 54.289 -99.200 -91.000 TRP 149 1.040 -39.670 -32.577 45.687 -99.200 -91.000 TRP6 149 1.020 -37.573 -32.727 44.614 -99.200 -91.000 TYR 156 0.840 -33.686 -39.124 28.828 -99.200 -91.000 PHE 160 1.000 -29.779 -43.152 16.850 -99.200 -91.000