============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 12 0.840 10.918 41.702 -0.145 -99.200 -91.000 PHE 17 1.000 13.792 34.143 3.483 -99.200 -91.000 TYR 37 0.840 37.318 35.573 -5.010 -99.200 -91.000 TRP 47 1.040 35.794 37.483 5.809 -99.200 -91.000 TRP6 47 1.020 35.630 39.549 4.659 -99.200 -91.000 HIS 48 0.900 34.785 30.295 9.973 -99.200 -91.000 PHE 49 1.000 32.264 34.662 5.243 -99.200 -91.000 TYR 69 0.840 16.855 39.193 19.898 -99.200 -91.000 PHE 71 1.000 11.756 40.051 16.592 -99.200 -91.000 HIS 80 0.900 21.645 26.944 0.660 -99.200 -91.000 PHE 84 1.000 27.417 37.625 6.091 -99.200 -91.000 TRP 93 1.040 43.016 36.459 9.467 -99.200 -91.000 TRP6 93 1.020 41.914 34.384 9.242 -99.200 -91.000 PHE 107 1.000 52.632 40.198 -1.973 -99.200 -91.000 PHE 122 1.000 51.247 52.768 10.630 -99.200 -91.000 PHE 123 1.000 45.622 51.678 7.559 -99.200 -91.000 HIS 126 0.900 41.905 50.365 12.779 -99.200 -91.000 HIS 134 0.900 37.576 43.282 20.183 -99.200 -91.000 TRP 136 1.040 39.833 48.074 10.798 -99.200 -91.000 TRP6 136 1.020 41.681 46.610 10.827 -99.200 -91.000 TYR 141 0.840 26.872 45.196 10.450 -99.200 -91.000 PHE 147 1.000 25.341 36.583 1.019 -99.200 -91.000 PHE 163 1.000 22.593 37.190 15.593 -99.200 -91.000 PHE 172 1.000 26.644 26.791 14.672 -99.200 -91.000 TYR 179 0.840 36.976 32.927 13.362 -99.200 -91.000 HIS 189 0.900 14.015 31.792 -5.084 -99.200 -91.000 HIS 190 0.900 8.785 36.821 -2.729 -99.200 -91.000 PHE 195 1.000 1.186 44.325 0.414 -99.200 -91.000