============================================================================= 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. TYR 4 0.840 16.532 39.593 26.343 -99.200 -91.000 TYR 12 0.840 23.588 41.953 6.201 -99.200 -91.000 PHE 32 1.000 29.869 32.518 -0.134 -99.200 -91.000 TYR 38 0.840 32.300 44.671 10.674 -99.200 -91.000 TYR 41 0.840 22.826 41.127 13.032 -99.200 -91.000 PHE 46 1.000 22.044 43.491 24.248 -99.200 -91.000 PHE 53 1.000 25.305 35.007 20.149 -99.200 -91.000 TRP 89 1.040 30.966 24.849 3.635 -99.200 -91.000 TRP6 89 1.020 31.966 26.153 5.360 -99.200 -91.000 TYR 92 0.840 22.722 25.985 8.962 -99.200 -91.000 HIS 106 0.900 24.530 49.326 24.493 -99.200 -91.000 TYR 109 0.840 29.317 47.110 14.969 -99.200 -91.000 PHE 112 1.000 30.477 36.720 11.713 -99.200 -91.000 TYR 118 0.840 35.242 30.551 2.248 -99.200 -91.000 PHE 120 1.000 31.482 31.418 12.584 -99.200 -91.000 TRP 124 1.040 17.789 30.595 13.883 -99.200 -91.000 TRP6 124 1.020 17.773 30.340 16.235 -99.200 -91.000 PHE 125 1.000 22.051 37.565 16.093 -99.200 -91.000 PHE 127 1.000 22.589 38.928 22.471 -99.200 -91.000