============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TRP 11 1.040 27.012 41.659 31.232 -99.200 -91.000 TRP6 11 1.020 25.037 42.863 30.729 -99.200 -91.000 HIS 21 0.900 23.479 43.029 22.728 -99.200 -91.000 PHE 26 1.000 16.298 51.888 28.859 -99.200 -91.000 PHE 30 1.000 10.846 54.535 26.354 -99.200 -91.000 PHE 40 1.000 13.801 57.317 30.634 -99.200 -91.000 TYR 42 0.840 17.486 63.210 28.446 -99.200 -91.000 PHE 47 1.000 13.328 61.814 24.157 -99.200 -91.000 PHE 59 1.000 16.223 56.696 26.031 -99.200 -91.000 HIS 62 0.900 18.678 56.317 31.597 -99.200 -91.000 TYR 86 0.840 25.365 52.940 41.760 -99.200 -91.000 HIS 94 0.900 16.225 54.809 39.227 -99.200 -91.000 PHE 104 1.000 12.618 49.349 40.674 -99.200 -91.000 TYR 113 0.840 11.866 41.640 23.449 -99.200 -91.000 PHE 123 1.000 16.896 34.298 28.745 -99.200 -91.000 TRP 131 1.040 20.712 36.946 32.982 -99.200 -91.000 TRP6 131 1.020 21.737 39.050 33.357 -99.200 -91.000 TYR 135 0.840 14.825 43.891 37.292 -99.200 -91.000 TRP 146 1.040 10.355 54.419 45.351 -99.200 -91.000 TRP6 146 1.020 12.009 53.745 43.808 -99.200 -91.000