============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 27 1.000 6.273 4.223 -35.824 -99.200 -91.000 PHE 29 1.000 6.975 3.014 -29.783 -99.200 -91.000 TYR 32 0.840 10.504 1.505 -37.665 -99.200 -91.000 TRP 36 1.040 12.296 12.159 -26.162 -99.200 -91.000 TRP6 36 1.020 10.250 13.326 -26.463 -99.200 -91.000 TRP 47 1.040 20.411 12.598 -30.265 -99.200 -91.000 TRP6 47 1.020 22.114 11.891 -28.782 -99.200 -91.000 PHE 50 1.000 18.847 5.091 -30.567 -99.200 -91.000 TYR 56 0.840 17.917 -6.029 -25.386 -99.200 -91.000 TYR 59 0.840 23.799 5.229 -28.323 -99.200 -91.000 TYR 60 0.840 19.961 9.278 -21.192 -99.200 -91.000 PHE 68 1.000 16.733 16.619 -20.063 -99.200 -91.000 TYR 80 0.840 5.933 7.120 -21.103 -99.200 -91.000 TYR 94 0.840 13.177 19.534 -24.707 -99.200 -91.000 TYR 95 0.840 11.020 19.573 -33.316 -99.200 -91.000 TRP 101 1.040 16.620 0.106 -36.480 -99.200 -91.000 TRP6 101 1.020 17.681 0.302 -34.382 -99.200 -91.000 TYR 106 0.840 8.086 9.463 -42.115 -99.200 -91.000 TRP 107 1.040 12.769 14.512 -37.345 -99.200 -91.000 TRP6 107 1.020 14.270 15.906 -36.172 -99.200 -91.000 PHE 126 1.000 -6.208 45.608 -26.603 -99.200 -91.000 TYR 149 0.840 1.715 35.752 -26.454 -99.200 -91.000 PHE 150 1.000 7.237 33.955 -20.098 -99.200 -91.000 TRP 158 1.040 -7.931 35.976 -38.915 -99.200 -91.000 TRP6 158 1.020 -8.889 38.015 -38.188 -99.200 -91.000 HIS 168 0.900 0.554 37.673 -45.161 -99.200 -91.000 PHE 170 1.000 2.635 40.484 -39.793 -99.200 -91.000 TYR 180 0.840 7.358 35.454 -26.098 -99.200 -91.000 TYR 198 0.840 -14.162 39.756 -42.975 -99.200 -91.000 HIS 204 0.900 -0.958 32.565 -23.308 -99.200 -91.000