============================================================================= 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. TRP 11 1.040 47.631 43.388 -1.332 -99.200 -91.000 TRP6 11 1.020 47.704 41.124 -0.638 -99.200 -91.000 TYR 15 0.840 49.418 41.471 -6.286 -99.200 -91.000 PHE 29 1.000 46.218 26.497 4.687 -99.200 -91.000 PHE 30 1.000 48.655 24.034 0.920 -99.200 -91.000 PHE 33 1.000 47.065 25.198 10.484 -99.200 -91.000 TYR 39 0.840 39.880 20.292 1.164 -99.200 -91.000 PHE 40 1.000 45.154 22.937 -3.225 -99.200 -91.000 PHE 43 1.000 49.491 21.188 -3.002 -99.200 -91.000 HIS 45 0.900 49.080 11.236 -1.599 -99.200 -91.000 HIS 61 0.900 44.793 27.825 -3.821 -99.200 -91.000 HIS 77 0.900 37.021 51.995 -3.540 -99.200 -91.000 HIS 93 0.900 37.854 28.512 -3.075 -99.200 -91.000 HIS 97 0.900 37.763 24.337 -5.775 -99.200 -91.000 TYR 103 0.840 41.282 23.141 6.207 -99.200 -91.000 PHE 104 1.000 38.215 30.128 1.748 -99.200 -91.000 PHE 119 1.000 54.797 45.161 5.000 -99.200 -91.000 PHE 123 1.000 51.633 42.728 11.030 -99.200 -91.000 TRP 131 1.040 47.729 44.253 7.872 -99.200 -91.000 TRP6 131 1.020 47.660 43.469 5.648 -99.200 -91.000 TYR 139 0.840 35.798 32.190 9.128 -99.200 -91.000 HIS 141 0.900 32.243 40.584 2.955 -99.200 -91.000 TYR 146 0.840 32.384 27.527 2.287 -99.200 -91.000 TRP 151 1.040 29.882 23.590 4.791 -99.200 -91.000 TRP6 151 1.020 31.167 22.495 3.132 -99.200 -91.000