============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 11 1.000 8.694 20.028 6.731 -99.200 -91.000 PHE 24 1.000 9.683 5.686 13.337 -99.200 -91.000 TRP 33 1.040 16.063 12.820 2.470 -99.200 -91.000 TRP6 33 1.020 15.111 13.006 0.323 -99.200 -91.000 TYR 38 0.840 4.377 4.428 8.012 -99.200 -91.000 PHE 41 1.000 10.528 15.497 10.823 -99.200 -91.000 HIS 50 0.900 10.963 4.473 5.273 -99.200 -91.000 HIS 56 0.900 0.287 2.130 -3.698 -99.200 -91.000 PHE 59 1.000 4.054 10.831 -1.425 -99.200 -91.000 TRP 69 1.040 7.006 19.126 1.795 -99.200 -91.000 TRP6 69 1.020 6.570 17.328 3.267 -99.200 -91.000 TRP 71 1.040 -2.220 24.577 3.212 -99.200 -91.000 TRP6 71 1.020 -0.660 25.559 4.683 -99.200 -91.000 PHE 72 1.000 -3.399 14.149 4.437 -99.200 -91.000 PHE 88 1.000 -0.383 3.378 16.708 -99.200 -91.000 PHE 89 1.000 5.574 2.046 13.574 -99.200 -91.000 HIS 92 0.900 -0.934 0.662 19.109 -99.200 -91.000 TYR 103 0.840 8.593 1.716 8.229 -99.200 -91.000 TYR 111 0.840 1.762 6.588 13.943 -99.200 -91.000