============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 27 1.000 33.916 -92.419 -37.135 -99.200 -91.000 TYR 32 0.840 32.792 -87.674 -35.264 -99.200 -91.000 HIS 35 0.900 36.076 -90.409 -24.762 -99.200 -91.000 TRP 36 1.040 42.316 -96.224 -26.785 -99.200 -91.000 TRP6 36 1.020 42.125 -98.290 -27.872 -99.200 -91.000 TRP 47 1.040 37.848 -92.365 -20.170 -99.200 -91.000 TRP6 47 1.020 39.637 -91.015 -19.500 -99.200 -91.000 TYR 50 0.840 39.545 -87.229 -22.753 -99.200 -91.000 TYR 52 0.840 38.035 -84.913 -27.004 -99.200 -91.000 TYR 57 0.840 41.881 -81.165 -23.545 -99.200 -91.000 TYR 60 0.840 47.330 -90.152 -21.705 -99.200 -91.000 PHE 68 1.000 48.136 -97.892 -20.489 -99.200 -91.000 TYR 80 0.840 47.837 -96.017 -34.687 -99.200 -91.000 TYR 94 0.840 43.404-102.280 -22.287 -99.200 -91.000 TYR 95 0.840 34.860-103.491 -24.539 -99.200 -91.000 PHE 101 1.000 34.211 -82.326 -29.677 -99.200 -91.000 TRP 106 1.040 30.089 -81.078 -24.932 -99.200 -91.000 TRP6 106 1.020 30.627 -79.231 -23.596 -99.200 -91.000 TYR 107 0.840 34.005 -84.646 -21.283 -99.200 -91.000 TYR 111 0.840 27.809 -95.431 -33.870 -99.200 -91.000 TRP 112 1.040 30.716 -97.943 -26.285 -99.200 -91.000 TRP6 112 1.020 32.046 -98.214 -24.374 -99.200 -91.000 PHE 131 1.000 42.535-134.835 -24.408 -99.200 -91.000 TYR 149 0.840 42.216-122.453 -23.406 -99.200 -91.000 PHE 150 1.000 48.333-117.815 -19.968 -99.200 -91.000 TRP 158 1.040 29.550-128.087 -31.182 -99.200 -91.000 TRP6 158 1.020 30.255-130.309 -30.831 -99.200 -91.000 HIS 168 0.900 23.593-124.431 -23.125 -99.200 -91.000 PHE 170 1.000 29.104-125.704 -19.756 -99.200 -91.000 TYR 180 0.840 42.582-119.099 -18.317 -99.200 -91.000 TYR 198 0.840 25.482-134.329 -33.979 -99.200 -91.000 HIS 204 0.900 44.840-120.802 -27.858 -99.200 -91.000