============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 3 1.000 10.322 -0.470 15.946 -99.200 -91.000 HIS 15 0.900 2.366 1.626 10.548 -99.200 -91.000 TYR 20 0.840 1.685 12.879 6.943 -99.200 -91.000 TYR 23 0.840 9.084 18.161 8.019 -99.200 -91.000 TRP 28 1.040 8.722 11.590 9.013 -99.200 -91.000 TRP6 28 1.020 7.306 12.687 10.554 -99.200 -91.000 PHE 34 1.000 20.473 11.821 17.004 -99.200 -91.000 PHE 38 1.000 16.512 4.432 15.963 -99.200 -91.000 TYR 53 0.840 3.530 9.266 28.579 -99.200 -91.000 TRP 62 1.040 0.633 21.901 24.292 -99.200 -91.000 TRP6 62 1.020 -1.168 23.216 23.530 -99.200 -91.000 TRP 63 1.040 1.600 17.065 21.162 -99.200 -91.000 TRP6 63 1.020 0.509 18.137 19.377 -99.200 -91.000 TRP 108 1.040 8.630 14.877 17.522 -99.200 -91.000 TRP6 108 1.020 7.172 15.112 15.687 -99.200 -91.000 TRP 111 1.040 13.793 16.541 12.609 -99.200 -91.000 TRP6 111 1.020 13.198 18.724 11.975 -99.200 -91.000 TRP 123 1.040 20.091 9.590 10.779 -99.200 -91.000 TRP6 123 1.020 20.964 8.330 12.572 -99.200 -91.000