============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 5 1.000 22.808 26.400 31.535 -99.200 -91.000 TYR 7 0.840 15.671 28.326 37.877 -99.200 -91.000 TRP 9 1.040 9.956 26.722 38.644 -99.200 -91.000 TRP6 9 1.020 8.776 25.937 36.749 -99.200 -91.000 PHE 14 1.000 2.349 20.069 41.282 -99.200 -91.000 PHE 16 1.000 -2.853 26.203 47.609 -99.200 -91.000 PHE 30 1.000 16.937 28.105 33.671 -99.200 -91.000 TRP 35 1.040 19.465 28.396 28.514 -99.200 -91.000 TRP6 35 1.020 19.372 26.695 26.873 -99.200 -91.000 TYR 51 0.840 2.203 10.007 32.302 -99.200 -91.000 TYR 55 0.840 7.363 20.041 26.876 -99.200 -91.000 PHE 70 1.000 16.301 18.026 27.367 -99.200 -91.000 PHE 72 1.000 13.791 18.848 31.945 -99.200 -91.000 TYR 91 0.840 16.638 15.816 21.836 -99.200 -91.000 PHE 93 1.000 17.248 23.039 23.895 -99.200 -91.000 TRP 99 1.040 14.592 20.273 21.489 -99.200 -91.000 TRP6 99 1.020 13.521 18.715 20.073 -99.200 -91.000 PHE 101 1.000 12.674 14.132 29.119 -99.200 -91.000 PHE 104 1.000 10.149 15.158 35.298 -99.200 -91.000 PHE 109 1.000 5.938 8.393 42.545 -99.200 -91.000 PHE 126 1.000 19.818 20.604 40.245 -99.200 -91.000