============================================================================= 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 8 1.000 -56.404 30.140 3.640 -99.200 -91.000 TYR 15 0.840 -69.516 19.724 5.166 -99.200 -91.000 HIS 17 0.900 -73.589 28.782 9.855 -99.200 -91.000 TYR 30 0.840 -62.428 33.292 12.872 -99.200 -91.000 TYR 49 0.840 -55.451 15.908 0.525 -99.200 -91.000 PHE 63 1.000 -56.733 18.454 4.970 -99.200 -91.000 TYR 70 0.840 -56.309 22.661 17.145 -99.200 -91.000 PHE 75 1.000 -58.258 27.786 21.760 -99.200 -91.000 HIS 77 0.900 -62.829 26.088 30.932 -99.200 -91.000 TYR 83 0.840 -68.313 11.328 33.304 -99.200 -91.000 TRP 100 1.040 -81.650 14.413 8.561 -99.200 -91.000 TRP6 100 1.020 -81.865 15.321 10.730 -99.200 -91.000 TYR 101 0.840 -74.725 18.669 7.303 -99.200 -91.000 PHE 133 1.000 -85.844 19.598 19.253 -99.200 -91.000 TYR 137 0.840 -79.287 24.190 23.911 -99.200 -91.000 PHE 138 1.000 -81.137 16.613 16.871 -99.200 -91.000 PHE 142 1.000 -74.656 25.532 20.688 -99.200 -91.000 TYR 148 0.840 -71.508 17.682 12.497 -99.200 -91.000 TRP 154 1.040 -78.426 30.728 8.552 -99.200 -91.000 TRP6 154 1.020 -79.635 32.442 9.679 -99.200 -91.000 HIS 158 0.900 -81.889 32.429 6.062 -99.200 -91.000 PHE 163 1.000 -89.176 22.991 9.949 -99.200 -91.000 TYR 174 0.840 -82.172 22.809 18.017 -99.200 -91.000 PHE 178 1.000 -81.752 29.456 13.290 -99.200 -91.000 PHE 183 1.000 -76.935 30.480 13.667 -99.200 -91.000