============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. TYR 4 0.840 31.432 -20.185 22.030 -99.200 -91.000 TRP 22 1.040 31.523 -0.012 32.258 -99.200 -91.000 TRP6 22 1.020 33.496 0.611 31.106 -99.200 -91.000 PHE 41 1.000 49.240 4.660 22.500 -99.200 -91.000 TYR 50 0.840 51.398 -3.802 16.408 -99.200 -91.000 PHE 51 1.000 47.453 1.410 19.130 -99.200 -91.000 HIS 69 0.900 41.919 3.652 19.526 -99.200 -91.000 TYR 75 0.840 30.408 4.937 24.268 -99.200 -91.000 PHE 80 1.000 34.311 -6.682 24.660 -99.200 -91.000 PHE 97 1.000 34.346 -4.372 19.595 -99.200 -91.000 HIS 101 0.900 41.719 -5.093 18.676 -99.200 -91.000 PHE 111 1.000 42.828 -7.328 23.260 -99.200 -91.000 PHE 127 1.000 36.548 0.512 41.729 -99.200 -91.000 TYR 131 0.840 36.916 -4.393 42.454 -99.200 -91.000 TRP 135 1.040 37.696 -4.635 34.657 -99.200 -91.000 TRP6 135 1.020 36.491 -4.001 32.731 -99.200 -91.000