============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TYR 7 0.840 22.233 35.554 22.741 -99.200 -91.000 PHE 8 1.000 19.118 38.394 14.581 -99.200 -91.000 TYR 14 0.840 25.631 40.789 23.845 -99.200 -91.000 PHE 27 1.000 32.547 47.014 12.284 -99.200 -91.000 PHE 38 1.000 37.820 46.346 21.470 -99.200 -91.000 TRP 42 1.040 41.360 39.712 33.577 -99.200 -91.000 TRP6 42 1.020 41.964 42.000 33.812 -99.200 -91.000 TYR 52 0.840 24.480 51.016 30.028 -99.200 -91.000 PHE 53 1.000 28.172 46.697 24.575 -99.200 -91.000 TYR 59 0.840 16.263 50.271 27.268 -99.200 -91.000 TYR 60 0.840 20.474 53.943 22.648 -99.200 -91.000 TYR 61 0.840 15.560 51.547 15.425 -99.200 -91.000 HIS 72 0.900 37.896 37.418 19.915 -99.200 -91.000 HIS 79 0.900 39.496 47.575 16.847 -99.200 -91.000 PHE 87 1.000 31.343 50.515 27.139 -99.200 -91.000 PHE 89 1.000 29.517 54.588 21.933 -99.200 -91.000 TYR 90 0.840 34.242 51.013 14.979 -99.200 -91.000 PHE 91 1.000 25.449 56.650 12.482 -99.200 -91.000 TRP 97 1.040 31.143 49.586 8.577 -99.200 -91.000 TRP6 97 1.020 29.257 49.997 9.929 -99.200 -91.000 HIS 101 0.900 32.901 59.722 22.374 -99.200 -91.000 PHE 115 1.000 25.236 52.489 23.732 -99.200 -91.000 TYR 118 0.840 29.539 60.505 19.532 -99.200 -91.000