============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. HIS 2 0.900 34.780 20.883 1.042 -99.200 -91.000 HIS 5 0.900 23.382 17.828 4.353 -99.200 -91.000 PHE 6 1.000 21.969 24.617 2.088 -99.200 -91.000 TYR 15 0.840 20.895 29.002 12.897 -99.200 -91.000 TRP 32 1.040 39.769 36.240 9.237 -99.200 -91.000 TRP6 32 1.020 38.369 34.851 10.500 -99.200 -91.000 PHE 47 1.000 19.789 29.594 8.670 -99.200 -91.000 TRP 49 1.040 18.810 35.086 7.985 -99.200 -91.000 TRP6 49 1.020 20.716 34.058 8.883 -99.200 -91.000 PHE 50 1.000 18.004 43.610 2.427 -99.200 -91.000 TRP 51 1.040 24.416 43.115 3.928 -99.200 -91.000 TRP6 51 1.020 26.162 42.753 5.472 -99.200 -91.000 PHE 54 1.000 31.535 36.491 8.722 -99.200 -91.000 TYR 55 0.840 30.423 45.917 8.579 -99.200 -91.000 PHE 69 1.000 28.590 42.912 1.335 -99.200 -91.000 PHE 80 1.000 34.444 50.726 21.312 -99.200 -91.000 TRP 89 1.040 34.968 46.377 19.079 -99.200 -91.000 TRP6 89 1.020 35.706 47.930 17.453 -99.200 -91.000 HIS 103 0.900 19.209 47.998 19.253 -99.200 -91.000 HIS 106 0.900 19.374 49.764 12.048 -99.200 -91.000 PHE 122 1.000 34.577 38.470 21.928 -99.200 -91.000 HIS 137 0.900 10.612 38.614 5.884 -99.200 -91.000 PHE 141 1.000 18.258 37.938 11.788 -99.200 -91.000 TYR 148 0.840 21.558 25.744 17.052 -99.200 -91.000 PHE 160 1.000 42.296 36.221 13.602 -99.200 -91.000