============================================================================= 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. PHE 9 1.000 7.194 51.710 24.307 -99.200 -91.000 HIS 10 0.900 2.645 57.190 29.172 -99.200 -91.000 TYR 15 0.840 4.213 42.880 38.613 -99.200 -91.000 PHE 19 1.000 8.837 49.249 30.021 -99.200 -91.000 PHE 28 1.000 22.317 45.142 23.598 -99.200 -91.000 TYR 32 0.840 5.809 36.995 20.820 -99.200 -91.000 PHE 33 1.000 4.777 44.928 19.674 -99.200 -91.000 PHE 35 1.000 -4.084 36.987 20.170 -99.200 -91.000 TRP 52 1.040 16.247 31.980 22.032 -99.200 -91.000 TRP6 52 1.020 15.084 33.517 20.657 -99.200 -91.000 TYR 60 0.840 26.951 32.529 25.457 -99.200 -91.000 PHE 68 1.000 2.676 38.600 25.653 -99.200 -91.000 TYR 84 0.840 -0.258 34.031 27.754 -99.200 -91.000 PHE 88 1.000 4.219 31.188 28.540 -99.200 -91.000 HIS 89 0.900 13.265 33.594 32.466 -99.200 -91.000 PHE 99 1.000 -9.661 48.664 22.569 -99.200 -91.000 TYR 109 0.840 8.696 48.509 18.864 -99.200 -91.000 HIS 115 0.900 0.779 39.602 9.742 -99.200 -91.000 PHE 118 1.000 9.478 39.076 11.830 -99.200 -91.000 PHE 119 1.000 10.788 35.980 20.498 -99.200 -91.000 TYR 120 0.840 9.404 43.444 16.471 -99.200 -91.000 PHE 128 1.000 14.741 46.194 14.391 -99.200 -91.000 TYR 136 0.840 17.755 34.275 13.846 -99.200 -91.000 HIS 148 0.900 22.764 42.346 16.829 -99.200 -91.000 TYR 152 0.840 25.688 49.357 23.111 -99.200 -91.000