============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 12 1.000 -5.129 9.039 40.161 -99.200 -91.000 TYR 17 0.840 -1.227 12.341 42.932 -99.200 -91.000 PHE 18 1.000 -4.913 15.461 41.323 -99.200 -91.000 TRP 23 1.040 1.537 13.278 46.223 -99.200 -91.000 TRP6 23 1.020 1.705 11.034 46.922 -99.200 -91.000 TYR 24 0.840 7.975 16.081 51.126 -99.200 -91.000 TYR 28 0.840 16.253 13.472 39.208 -99.200 -91.000 TYR 40 0.840 16.065 20.451 40.010 -99.200 -91.000 TYR 58 0.840 11.253 24.066 46.606 -99.200 -91.000 HIS 59 0.900 10.581 22.239 39.231 -99.200 -91.000 TYR 60 0.840 17.591 24.799 46.648 -99.200 -91.000 PHE 68 1.000 12.080 26.321 38.544 -99.200 -91.000 TYR 69 0.840 8.052 27.810 46.172 -99.200 -91.000 TYR 82 0.840 -5.258 14.531 36.088 -99.200 -91.000 PHE 86 1.000 4.754 25.936 32.867 -99.200 -91.000 TYR 104 0.840 1.500 21.619 26.568 -99.200 -91.000 TYR 105 0.840 2.687 20.352 34.922 -99.200 -91.000 PHE 107 1.000 1.495 14.981 37.779 -99.200 -91.000 TYR 111 0.840 1.483 2.067 43.060 -99.200 -91.000 HIS 120 0.900 5.497 10.857 30.821 -99.200 -91.000 HIS 124 0.900 5.197 19.671 25.324 -99.200 -91.000 TYR 134 0.840 8.814 7.451 32.774 -99.200 -91.000 PHE 160 1.000 14.006 3.062 42.846 -99.200 -91.000 PHE 163 1.000 12.884 5.925 37.987 -99.200 -91.000 TYR 173 0.840 11.643 18.775 50.033 -99.200 -91.000