============================================================================= 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 -5.069 9.138 40.078 -99.200 -91.000 TYR 17 0.840 -1.157 12.332 42.821 -99.200 -91.000 PHE 18 1.000 -4.891 15.416 41.260 -99.200 -91.000 TRP 23 1.040 1.673 13.269 46.173 -99.200 -91.000 TRP6 23 1.020 1.795 11.024 46.892 -99.200 -91.000 TYR 24 0.840 8.155 16.155 50.956 -99.200 -91.000 TYR 28 0.840 16.386 13.227 38.960 -99.200 -91.000 TYR 40 0.840 16.253 20.612 39.946 -99.200 -91.000 TYR 58 0.840 11.345 24.082 46.501 -99.200 -91.000 HIS 59 0.900 11.190 22.028 39.015 -99.200 -91.000 TYR 60 0.840 17.745 24.775 46.728 -99.200 -91.000 PHE 68 1.000 12.344 26.328 38.401 -99.200 -91.000 TYR 69 0.840 8.051 27.760 45.974 -99.200 -91.000 TYR 82 0.840 -5.326 14.604 36.113 -99.200 -91.000 PHE 86 1.000 5.123 25.774 32.766 -99.200 -91.000 TYR 104 0.840 1.517 21.582 26.578 -99.200 -91.000 TYR 105 0.840 3.021 20.213 35.009 -99.200 -91.000 PHE 107 1.000 1.245 14.837 37.818 -99.200 -91.000 TYR 111 0.840 1.487 2.054 43.165 -99.200 -91.000 HIS 120 0.900 5.428 10.725 30.763 -99.200 -91.000 HIS 124 0.900 5.072 19.720 25.153 -99.200 -91.000 TYR 134 0.840 8.868 7.385 32.620 -99.200 -91.000 PHE 160 1.000 14.160 2.880 42.355 -99.200 -91.000 PHE 163 1.000 12.912 5.825 37.774 -99.200 -91.000 TYR 173 0.840 11.810 18.995 49.653 -99.200 -91.000