============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 1 1.000 18.065 -5.175 -25.969 -99.200 -91.000 PHE 6 1.000 21.445 -8.979 -22.927 -99.200 -91.000 PHE 9 1.000 22.566 -7.108 -17.865 -99.200 -91.000 TRP 19 1.040 14.897 -4.091 -18.262 -99.200 -91.000 TRP6 19 1.020 15.671 -5.973 -19.486 -99.200 -91.000 PHE 34 1.000 32.915 4.969 -18.482 -99.200 -91.000 TYR 41 0.840 11.630 -2.688 -8.558 -99.200 -91.000 TYR 55 0.840 9.988 3.709 -3.403 -99.200 -91.000 PHE 65 1.000 27.072 -14.087 -14.847 -99.200 -91.000 PHE 68 1.000 18.043 -4.940 -10.165 -99.200 -91.000 TRP 72 1.040 12.202 -1.357 -0.795 -99.200 -91.000 TRP6 72 1.020 11.253 -1.255 -2.973 -99.200 -91.000 TRP 85 1.040 15.445 -7.385 -7.326 -99.200 -91.000 TRP6 85 1.020 15.020 -5.266 -6.352 -99.200 -91.000 TYR 88 0.840 20.697 -16.315 -14.459 -99.200 -91.000 TRP 102 1.040 13.135 -10.910 -4.527 -99.200 -91.000 TRP6 102 1.020 12.105 -11.016 -2.393 -99.200 -91.000 TYR 106 0.840 11.264 -8.036 6.922 -99.200 -91.000 PHE 121 1.000 13.067 -7.418 -12.358 -99.200 -91.000 TYR 123 0.840 13.629 -4.553 -24.307 -99.200 -91.000