============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 26 0.840 -4.866 7.493 42.210 -99.200 -91.000 PHE 28 1.000 -7.106 6.904 35.917 -99.200 -91.000 TYR 31 0.840 -9.072 9.406 45.827 -99.200 -91.000 TRP 32 1.040 -15.172 12.536 40.216 -99.200 -91.000 TRP6 32 1.020 -16.557 13.093 38.378 -99.200 -91.000 TRP 35 1.040 -6.614 16.895 32.690 -99.200 -91.000 TRP6 35 1.020 -4.419 16.702 31.829 -99.200 -91.000 TRP 46 1.040 -11.237 22.732 37.645 -99.200 -91.000 TRP6 46 1.020 -13.480 22.376 36.971 -99.200 -91.000 TYR 56 0.840 -21.443 9.197 34.684 -99.200 -91.000 TYR 59 0.840 -14.867 18.884 29.015 -99.200 -91.000 PHE 63 1.000 -9.767 26.681 30.015 -99.200 -91.000 TYR 76 0.840 -4.316 9.281 26.932 -99.200 -91.000 TYR 89 0.840 -2.467 23.637 29.089 -99.200 -91.000 TYR 90 0.840 0.840 22.525 37.180 -99.200 -91.000 TYR 97 0.840 -8.235 12.364 53.223 -99.200 -91.000 PHE 98 1.000 -5.737 10.740 46.627 -99.200 -91.000 TYR 100 0.840 -1.261 12.740 46.814 -99.200 -91.000 TRP 101 1.040 -1.811 19.913 42.724 -99.200 -91.000 TRP6 101 1.020 -2.625 21.691 41.412 -99.200 -91.000 TYR 120 0.840 29.525 29.912 22.610 -99.200 -91.000 TYR 140 0.840 18.053 27.597 25.369 -99.200 -91.000 PHE 141 1.000 11.211 28.158 20.118 -99.200 -91.000 TRP 149 1.040 27.317 24.321 37.326 -99.200 -91.000 TRP6 149 1.020 29.177 25.132 36.110 -99.200 -91.000 HIS 159 0.900 24.185 32.287 42.914 -99.200 -91.000 PHE 161 1.000 22.584 34.283 37.239 -99.200 -91.000 TYR 170 0.840 13.062 30.985 25.053 -99.200 -91.000 TRP 183 1.040 38.756 25.662 37.775 -99.200 -91.000 TRP6 183 1.020 39.443 27.593 36.601 -99.200 -91.000 HIS 194 0.900 16.930 22.532 23.447 -99.200 -91.000