============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TYR 8 0.840 44.113 20.412 28.554 -99.200 -91.000 TYR 23 0.840 32.319 11.967 36.527 -99.200 -91.000 TYR 28 0.840 35.208 -1.551 41.726 -99.200 -91.000 TYR 30 0.840 26.187 5.574 41.530 -99.200 -91.000 PHE 35 1.000 25.736 -7.234 39.344 -99.200 -91.000 TYR 36 0.840 22.924 -4.599 49.891 -99.200 -91.000 PHE 37 1.000 19.677 -1.738 47.349 -99.200 -91.000 HIS 49 0.900 16.933 -0.394 34.910 -99.200 -91.000 PHE 50 1.000 18.405 5.712 41.051 -99.200 -91.000 PHE 51 1.000 21.590 2.853 43.975 -99.200 -91.000 PHE 78 1.000 43.278 5.642 31.836 -99.200 -91.000 TRP 89 1.040 26.639 -0.937 48.780 -99.200 -91.000 TRP6 89 1.020 27.929 1.022 49.049 -99.200 -91.000 HIS 114 0.900 33.245 26.850 35.498 -99.200 -91.000 HIS 124 0.900 37.069 22.733 24.548 -99.200 -91.000 PHE 128 1.000 34.323 18.046 28.529 -99.200 -91.000 HIS 132 0.900 29.092 17.397 26.605 -99.200 -91.000 PHE 133 1.000 31.449 15.567 32.410 -99.200 -91.000 HIS 147 0.900 13.974 8.601 42.764 -99.200 -91.000 TYR 164 0.840 6.164 -5.074 46.898 -99.200 -91.000 PHE 166 1.000 11.468 5.201 45.994 -99.200 -91.000