============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 21 0.840 40.692 25.116 25.938 -99.200 -91.000 TRP 38 1.040 47.314 36.170 53.391 -99.200 -91.000 TRP6 38 1.020 45.512 36.893 52.033 -99.200 -91.000 TYR 40 0.840 46.157 24.977 49.766 -99.200 -91.000 PHE 50 1.000 45.039 34.645 34.737 -99.200 -91.000 HIS 89 0.900 29.610 36.960 23.528 -99.200 -91.000 PHE 90 1.000 34.948 40.127 28.425 -99.200 -91.000 PHE 112 1.000 18.201 29.968 25.399 -99.200 -91.000 PHE 121 1.000 26.391 23.106 34.211 -99.200 -91.000 TYR 123 0.840 18.433 30.345 37.412 -99.200 -91.000 TYR 155 0.840 48.159 47.888 40.346 -99.200 -91.000 PHE 161 1.000 43.336 36.491 46.509 -99.200 -91.000 PHE 163 1.000 36.396 36.675 40.524 -99.200 -91.000 PHE 177 1.000 16.596 2.707 34.664 -99.200 -91.000 TRP 201 1.040 30.770 46.594 29.503 -99.200 -91.000 TRP6 201 1.020 33.123 46.598 29.755 -99.200 -91.000 PHE 204 1.000 35.919 52.198 29.790 -99.200 -91.000 PHE 214 1.000 40.480 46.942 36.180 -99.200 -91.000 PHE 223 1.000 33.265 32.312 54.614 -99.200 -91.000 TRP 225 1.040 23.154 34.667 49.600 -99.200 -91.000 TRP6 225 1.020 23.896 33.717 47.566 -99.200 -91.000 PHE 228 1.000 26.939 31.699 58.171 -99.200 -91.000 PHE 251 1.000 28.119 20.149 47.887 -99.200 -91.000 HIS 254 0.900 30.958 29.323 41.670 -99.200 -91.000 HIS 282 0.900 46.763 22.197 41.240 -99.200 -91.000 TYR 315 0.840 28.333 29.110 46.218 -99.200 -91.000 TYR 321 0.840 18.662 30.209 45.727 -99.200 -91.000